smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc(Cl)s1)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160014123 282177006 /nfs/dbraw/zinc/17/70/06/282177006.db2.gz DCPMQECUHVKGOH-GFCCVEGCSA-N 1 0 315.870 2.029 20 70 DEIDRO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159547437 539582547 /nfs/dbraw/zinc/58/25/47/539582547.db2.gz VTQGJSBXRLTMKI-HIFRSBDPSA-N 1 0 320.437 2.030 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000160888054 539588470 /nfs/dbraw/zinc/58/84/70/539588470.db2.gz DKVPJOPTMZJXRG-OLZOCXBDSA-N 1 0 322.380 2.183 20 70 DEIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160925583 539588490 /nfs/dbraw/zinc/58/84/90/539588490.db2.gz DPTFRVGKZCNDGW-LLVKDONJSA-N 1 0 303.406 2.092 20 70 DEIDRO NC(=O)[C@@H](NC1CC=CC1)c1ccc(Br)cc1F ZINC000160891130 539588709 /nfs/dbraw/zinc/58/87/09/539588709.db2.gz YVRYRYXDYJJUCM-LBPRGKRZSA-N 1 0 313.170 2.423 20 70 DEIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H](C)c1ccncc1 ZINC000161098073 539589050 /nfs/dbraw/zinc/58/90/50/539589050.db2.gz RSMYNRPMRNPZPC-ZBFHGGJFSA-N 1 0 307.438 2.048 20 70 DEIDRO COCCC1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000161108121 539589500 /nfs/dbraw/zinc/58/95/00/539589500.db2.gz CJRIFMGPTMPJCL-INIZCTEOSA-N 1 0 323.481 2.367 20 70 DEIDRO [NH3+]C1(CNC(=O)c2c(Cl)nc3ccccn32)CCCCC1 ZINC000159570257 186127740 /nfs/dbraw/zinc/12/77/40/186127740.db2.gz GBZKBWZIDSAYFH-UHFFFAOYSA-N 1 0 306.797 2.379 20 70 DEIDRO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)CC(C)(CO)CO ZINC000159587079 186129160 /nfs/dbraw/zinc/12/91/60/186129160.db2.gz SGQYCUXARKDRFA-UHFFFAOYSA-N 1 0 321.339 2.050 20 70 DEIDRO C[C@H](O)CC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159678140 186134666 /nfs/dbraw/zinc/13/46/66/186134666.db2.gz YLOZFTKVFYNKTA-IINYFYTJSA-N 1 0 314.788 2.287 20 70 DEIDRO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159696611 186136555 /nfs/dbraw/zinc/13/65/55/186136555.db2.gz JIRCLNUBTOEHII-WBVHZDCISA-N 1 0 322.424 2.267 20 70 DEIDRO CC(=O)Nc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1C ZINC000159520092 355961450 /nfs/dbraw/zinc/96/14/50/355961450.db2.gz KHXYPQIAJQOHAV-UHFFFAOYSA-N 1 0 303.406 2.345 20 70 DEIDRO [NH3+]CC1(C(=O)NCCc2nc(C(F)(F)F)cs2)CCCC1 ZINC000161203457 197473956 /nfs/dbraw/zinc/47/39/56/197473956.db2.gz KVIAMGANVXCWRS-UHFFFAOYSA-N 1 0 321.368 2.340 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161040333 197458978 /nfs/dbraw/zinc/45/89/78/197458978.db2.gz DJLJGTKIALVKSU-JYJNAYRXSA-N 1 0 306.406 2.435 20 70 DEIDRO CCC(CC)[C@@H](CNC(=O)NCC[C@H](O)CC)[NH+]1CCCC1 ZINC000160902391 197448537 /nfs/dbraw/zinc/44/85/37/197448537.db2.gz XLZMKLPCYVAAOA-HZPDHXFCSA-N 1 0 313.486 2.347 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000160447573 197411506 /nfs/dbraw/zinc/41/15/06/197411506.db2.gz BATWHWOQVHSFGD-SNVBAGLBSA-N 1 0 321.446 2.367 20 70 DEIDRO CC[NH+]1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160338131 197401506 /nfs/dbraw/zinc/40/15/06/197401506.db2.gz ZQPUHTRCXIRDQA-CYBMUJFWSA-N 1 0 309.435 2.209 20 70 DEIDRO O=C(Cc1ccsc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160303260 197399400 /nfs/dbraw/zinc/39/94/00/197399400.db2.gz GYUNDYDWZWUTJC-HOTGVXAUSA-N 1 0 322.474 2.175 20 70 DEIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160296069 197398570 /nfs/dbraw/zinc/39/85/70/197398570.db2.gz BHJKOZXCIHRDBR-BDJLRTHQSA-N 1 0 313.405 2.211 20 70 DEIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)n1Cc1ccccn1 ZINC000160277611 197397292 /nfs/dbraw/zinc/39/72/92/197397292.db2.gz MTLUKZKIEVFOKR-MRXNPFEDSA-N 1 0 312.417 2.112 20 70 DEIDRO CCC[C@@H]([NH2+][C@@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206763 197392662 /nfs/dbraw/zinc/39/26/62/197392662.db2.gz LISACHJIEPRHLC-GXTWGEPZSA-N 1 0 310.463 2.426 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000160192379 197391906 /nfs/dbraw/zinc/39/19/06/197391906.db2.gz JPACYDICILFCNC-USWWRNFRSA-N 1 0 314.307 2.248 20 70 DEIDRO CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159821180 197367049 /nfs/dbraw/zinc/36/70/49/197367049.db2.gz WUAWAARJPORGEH-GFCCVEGCSA-N 1 0 302.296 2.395 20 70 DEIDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1C(=O)NC(C)C ZINC000159498831 291655624 /nfs/dbraw/zinc/65/56/24/291655624.db2.gz MXRWSWWDUYTFRH-UHFFFAOYSA-N 1 0 305.422 2.460 20 70 DEIDRO CC[C@H](C(=O)N(C)c1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000159714725 197361344 /nfs/dbraw/zinc/36/13/44/197361344.db2.gz QKRFTCVWWXIQFW-GFCCVEGCSA-N 1 0 310.394 2.015 20 70 DEIDRO O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000159381573 197350010 /nfs/dbraw/zinc/35/00/10/197350010.db2.gz FNKVBWCCVAMMLX-GXTWGEPZSA-N 1 0 322.380 2.322 20 70 DEIDRO Cc1ccc(-c2nc(C(=O)N3CC[NH2+]CC3)cs2)c(C)c1 ZINC000159386797 197349609 /nfs/dbraw/zinc/34/96/09/197349609.db2.gz RSYDAJSBDKFMSP-UHFFFAOYSA-N 1 0 301.415 2.472 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159593710 402326548 /nfs/dbraw/zinc/32/65/48/402326548.db2.gz XHMMIPSDVIABRM-TZMCWYRMSA-N 1 0 318.446 2.130 20 70 DEIDRO CN(C)C1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000218765197 402296787 /nfs/dbraw/zinc/29/67/87/402296787.db2.gz OMMFKKCZXMUYGG-UHFFFAOYSA-N 1 0 311.470 2.460 20 70 DEIDRO CC1(C)[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]2CCO[C@@H]21 ZINC000159540789 402325411 /nfs/dbraw/zinc/32/54/11/402325411.db2.gz PFOWTDKWPDTNTJ-WTTBNOFXSA-N 1 0 302.418 2.396 20 70 DEIDRO Cc1ccsc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160391182 402343606 /nfs/dbraw/zinc/34/36/06/402343606.db2.gz LIJFBWOLYRFKKD-ZDUSSCGKSA-N 1 0 309.479 2.260 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000160465277 402346472 /nfs/dbraw/zinc/34/64/72/402346472.db2.gz JPMBOGSWQGSPEM-OAHLLOKOSA-N 1 0 308.381 2.352 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1 ZINC000160500584 402347955 /nfs/dbraw/zinc/34/79/55/402347955.db2.gz BXVAPWYMJJBSAN-PBKGFPTLSA-N 1 0 315.236 2.344 20 70 DEIDRO CCCN(Cc1ccnn1C)C[C@@H]1COc2ccccc2O1 ZINC000161423964 402387208 /nfs/dbraw/zinc/38/72/08/402387208.db2.gz KVZJPKALMFMZFX-OAHLLOKOSA-N 1 0 301.390 2.472 20 70 DEIDRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1CCC(C)(C)CC1 ZINC000160523930 402349517 /nfs/dbraw/zinc/34/95/17/402349517.db2.gz DYQAYTAPBFJCBN-UHFFFAOYSA-N 1 0 309.498 2.299 20 70 DEIDRO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160541481 402350043 /nfs/dbraw/zinc/35/00/43/402350043.db2.gz QQXSVMQCHVTVAL-FPMFFAJLSA-N 1 0 308.809 2.460 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC000160544312 402350862 /nfs/dbraw/zinc/35/08/62/402350862.db2.gz ZKKBPLSHVNOFPU-GDBMZVCRSA-N 1 0 302.418 2.399 20 70 DEIDRO CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160849970 402363185 /nfs/dbraw/zinc/36/31/85/402363185.db2.gz PXYPAFHHEMFFNJ-HNNXBMFYSA-N 1 0 302.422 2.240 20 70 DEIDRO CC(=O)NC1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000161022118 402369799 /nfs/dbraw/zinc/36/97/99/402369799.db2.gz RROCMBYXJSWFIS-UHFFFAOYSA-N 1 0 316.449 2.219 20 70 DEIDRO CC[N@H+](C)CCNC(=O)c1c(C)nc(C2CC2)nc1SC ZINC000161059910 402371089 /nfs/dbraw/zinc/37/10/89/402371089.db2.gz KGMIIZCIPGSPJX-UHFFFAOYSA-N 1 0 308.451 2.066 20 70 DEIDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cc1 ZINC000161099190 402372760 /nfs/dbraw/zinc/37/27/60/402372760.db2.gz MXHPVXOWNIBRMO-IRXDYDNUSA-N 1 0 320.433 2.050 20 70 DEIDRO C[C@H](O)C(C)(C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000161125697 402373959 /nfs/dbraw/zinc/37/39/59/402373959.db2.gz MEPKTNYTELPSGR-LBPRGKRZSA-N 1 0 300.443 2.383 20 70 DEIDRO CC(C)Oc1cncc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000161231448 402378298 /nfs/dbraw/zinc/37/82/98/402378298.db2.gz JZPJOVGSTZUUHI-UHFFFAOYSA-N 1 0 303.406 2.225 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000161291343 402380807 /nfs/dbraw/zinc/38/08/07/402380807.db2.gz VLZGQSJJSPFZRJ-UHFFFAOYSA-N 1 0 306.454 2.193 20 70 DEIDRO Cc1nccn1CCCC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000161319922 402382742 /nfs/dbraw/zinc/38/27/42/402382742.db2.gz FXNUTSOOEWIWNE-UHFFFAOYSA-N 1 0 314.433 2.500 20 70 DEIDRO CCC(CC)(C[NH2+]CC[S@](=O)c1ccccc1)C(=O)OC ZINC000159653908 402327780 /nfs/dbraw/zinc/32/77/80/402327780.db2.gz LBPWMYWGUDVTMY-OAQYLSRUSA-N 1 0 311.447 2.363 20 70 DEIDRO COc1cc([C@H](C)[NH2+]CCc2cnn(C)c2)cc(OC)c1OC ZINC000159745750 402329723 /nfs/dbraw/zinc/32/97/23/402329723.db2.gz YRYMFWLGQVHKLB-LBPRGKRZSA-N 1 0 319.405 2.339 20 70 DEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCCc1nc(C2CC2)no1 ZINC000159754098 402329755 /nfs/dbraw/zinc/32/97/55/402329755.db2.gz WVXSVKIICJRQOL-ZDUSSCGKSA-N 1 0 320.437 2.260 20 70 DEIDRO COc1ccc(OC)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159793843 402330964 /nfs/dbraw/zinc/33/09/64/402330964.db2.gz ZCVXSEITOGFDHC-UHFFFAOYSA-N 1 0 318.417 2.308 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159801463 402330982 /nfs/dbraw/zinc/33/09/82/402330982.db2.gz RRMJAIMETUBKJV-RISCZKNCSA-N 1 0 308.426 2.036 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCc3ccccc32)CC1 ZINC000159845679 402332139 /nfs/dbraw/zinc/33/21/39/402332139.db2.gz YCOIQCQWSGGEIY-MRXNPFEDSA-N 1 0 301.434 2.454 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000161504647 402390028 /nfs/dbraw/zinc/39/00/28/402390028.db2.gz OUFREYGDJBFMDI-ZGRYLRDCSA-N 1 0 323.481 2.107 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N1CCc2ccccc21)C(=O)OC ZINC000159661079 275955145 /nfs/dbraw/zinc/95/51/45/275955145.db2.gz AHIKUMFHJYSIRK-UHFFFAOYSA-N 1 0 318.417 2.145 20 70 DEIDRO C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]2C[NH2+]C)c(OC)c1 ZINC000161247855 518551727 /nfs/dbraw/zinc/55/17/27/518551727.db2.gz WSJHSZZYMMEJES-CSPWOOARSA-N 1 0 318.417 2.318 20 70 DEIDRO CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCC)CC1 ZINC000160368411 519863853 /nfs/dbraw/zinc/86/38/53/519863853.db2.gz PCHFQDLQJNYKFX-MRXNPFEDSA-N 1 0 323.481 2.112 20 70 DEIDRO CCOCc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000159617613 520188866 /nfs/dbraw/zinc/18/88/66/520188866.db2.gz VZVLPXRUTGMZEZ-UHFFFAOYSA-N 1 0 319.449 2.460 20 70 DEIDRO CCC[N@H+](CCO)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000161235848 521667083 /nfs/dbraw/zinc/66/70/83/521667083.db2.gz RGQXBRYUORPCOB-UHFFFAOYSA-N 1 0 309.406 2.060 20 70 DEIDRO C[N@H+](CCCOc1ccc2c(c1)OCO2)C[C@H]1CCC[C@@H]1O ZINC000159453848 522782389 /nfs/dbraw/zinc/78/23/89/522782389.db2.gz BKOAQSCDQUEBTG-HIFRSBDPSA-N 1 0 307.390 2.277 20 70 DEIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000159444837 524691930 /nfs/dbraw/zinc/69/19/30/524691930.db2.gz DHKKSRIWINIDAH-CZUORRHYSA-N 1 0 324.852 2.498 20 70 DEIDRO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1 ZINC000161258297 525534385 /nfs/dbraw/zinc/53/43/85/525534385.db2.gz QPDGESMXJSKEKC-CQSZACIVSA-N 1 0 315.417 2.422 20 70 DEIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160408759 525699386 /nfs/dbraw/zinc/69/93/86/525699386.db2.gz NGRNAZIDIXHDJV-OCCSQVGLSA-N 1 0 306.435 2.032 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000159507697 525742494 /nfs/dbraw/zinc/74/24/94/525742494.db2.gz IDTYDEBTQWCTBA-KKUMJFAQSA-N 1 0 318.461 2.444 20 70 DEIDRO COCC[N@H+](C)CCCNC(=O)Nc1ccnc(C)c1Cl ZINC000159441697 539581696 /nfs/dbraw/zinc/58/16/96/539581696.db2.gz MMOOZUXWLYXGQH-UHFFFAOYSA-N 1 0 314.817 2.133 20 70 DEIDRO CC(C)OC1CCC(NC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000159573340 539582615 /nfs/dbraw/zinc/58/26/15/539582615.db2.gz LTIYBVBJZMHKKV-VQCLRJIVSA-N 1 0 305.422 2.298 20 70 DEIDRO Cc1ccccc1OCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159854351 539584229 /nfs/dbraw/zinc/58/42/29/539584229.db2.gz DOVACMQYWQJISK-UHFFFAOYSA-N 1 0 302.418 2.364 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000160779855 539587726 /nfs/dbraw/zinc/58/77/26/539587726.db2.gz LCDUWPRXACQLCB-ZJUUUORDSA-N 1 0 317.311 2.022 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000160763743 539587746 /nfs/dbraw/zinc/58/77/46/539587746.db2.gz WSCLWIAYFSAXGA-MNOVXSKESA-N 1 0 302.403 2.205 20 70 DEIDRO CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)=C2 ZINC000161083659 539589235 /nfs/dbraw/zinc/58/92/35/539589235.db2.gz YMGSHYIMMKQYKT-HUUCEWRRSA-N 1 0 316.401 2.247 20 70 DEIDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ncn1 ZINC000161304606 539589818 /nfs/dbraw/zinc/58/98/18/539589818.db2.gz ISCUXVOKDRUKHR-AWEZNQCLSA-N 1 0 316.430 2.413 20 70 DEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000161298298 539589876 /nfs/dbraw/zinc/58/98/76/539589876.db2.gz OZXDYNDCLBYNOI-ZDUSSCGKSA-N 1 0 319.430 2.149 20 70 DEIDRO CNC(=O)CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160320761 539585679 /nfs/dbraw/zinc/58/56/79/539585679.db2.gz SDFGKTUSMJUYII-UHFFFAOYSA-N 1 0 322.206 2.223 20 70 DEIDRO CCc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000161502339 539592096 /nfs/dbraw/zinc/59/20/96/539592096.db2.gz BRBWSKUBFKGHMR-KGLIPLIRSA-N 1 0 312.417 2.434 20 70 DEIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](O)c1ccccc1 ZINC000159594806 186129490 /nfs/dbraw/zinc/12/94/90/186129490.db2.gz ZAIYVZJASJSJRY-DOTOQJQBSA-N 1 0 304.434 2.491 20 70 DEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159597485 186129836 /nfs/dbraw/zinc/12/98/36/186129836.db2.gz BNACSXSNQRFQDJ-YPMHNXCESA-N 1 0 314.476 2.141 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(COC)cc2)CC1 ZINC000159616947 186130697 /nfs/dbraw/zinc/13/06/97/186130697.db2.gz ZCIBKQOZOAROEB-UHFFFAOYSA-N 1 0 305.422 2.070 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000159702785 186136188 /nfs/dbraw/zinc/13/61/88/186136188.db2.gz LJNLNZBQWKRAKO-CYBMUJFWSA-N 1 0 324.306 2.271 20 70 DEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000160551514 197420666 /nfs/dbraw/zinc/42/06/66/197420666.db2.gz INUMCPKWEJFVIZ-CABCVRRESA-N 1 0 308.447 2.246 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000160465405 197413477 /nfs/dbraw/zinc/41/34/77/197413477.db2.gz JPMBOGSWQGSPEM-HNNXBMFYSA-N 1 0 308.381 2.352 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCCC2 ZINC000160194812 197392170 /nfs/dbraw/zinc/39/21/70/197392170.db2.gz RXIRLJWMMBXQIC-CQSZACIVSA-N 1 0 322.474 2.204 20 70 DEIDRO [NH3+]CCCNC(=O)/C=C/c1cc(Br)ccc1F ZINC000160022435 197380101 /nfs/dbraw/zinc/38/01/01/197380101.db2.gz ZFZYDYPTMUKSEH-GORDUTHDSA-N 1 0 301.159 2.066 20 70 DEIDRO CC(C)Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159946806 197376330 /nfs/dbraw/zinc/37/63/30/197376330.db2.gz WKTNQFMRNINQKU-MRXNPFEDSA-N 1 0 310.463 2.243 20 70 DEIDRO Cc1c(O)ccc2c(C[N@@H+]3CCCC[C@@H]3CO)cc(=O)oc12 ZINC000159930219 197374600 /nfs/dbraw/zinc/37/46/00/197374600.db2.gz BBOJIVRRMIAFEK-CYBMUJFWSA-N 1 0 303.358 2.154 20 70 DEIDRO C[NH+]1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159854056 197368758 /nfs/dbraw/zinc/36/87/58/197368758.db2.gz FYLVBZXLEYCKMP-UHFFFAOYSA-N 1 0 316.323 2.338 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000159776012 197363761 /nfs/dbraw/zinc/36/37/61/197363761.db2.gz HSAWEVGFRACYHO-CVEARBPZSA-N 1 0 305.397 2.419 20 70 DEIDRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC(C)(CO)CO ZINC000159564613 197361604 /nfs/dbraw/zinc/36/16/04/197361604.db2.gz PSUYGCJLGRDTNX-UHFFFAOYSA-N 1 0 321.339 2.050 20 70 DEIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000159537300 197360728 /nfs/dbraw/zinc/36/07/28/197360728.db2.gz WHAPQMRHUFQZLC-BRWVUGGUSA-N 1 0 302.418 2.188 20 70 DEIDRO Cc1ccccc1[C@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000159370427 197348869 /nfs/dbraw/zinc/34/88/69/197348869.db2.gz CZKZXXGLTFETMM-AWEZNQCLSA-N 1 0 310.463 2.317 20 70 DEIDRO CCOc1cc(CNC(=O)[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000159587707 402326506 /nfs/dbraw/zinc/32/65/06/402326506.db2.gz RRVATXXNFLNFJP-KRWDZBQOSA-N 1 0 314.385 2.410 20 70 DEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000160348423 402342288 /nfs/dbraw/zinc/34/22/88/402342288.db2.gz XDSAZBDYTKPXSI-HNNXBMFYSA-N 1 0 312.417 2.230 20 70 DEIDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1csc(C2CC2)n1 ZINC000161429858 402386982 /nfs/dbraw/zinc/38/69/82/402386982.db2.gz ALZXPTSVVZYQBB-LBPRGKRZSA-N 1 0 314.414 2.424 20 70 DEIDRO COC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(C)C ZINC000160486666 402347703 /nfs/dbraw/zinc/34/77/03/402347703.db2.gz OPFXFUPQECQPJH-SFHVURJKSA-N 1 0 306.450 2.279 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160484835 402347779 /nfs/dbraw/zinc/34/77/79/402347779.db2.gz OTNRUEDIBNVWFN-BBRMVZONSA-N 1 0 322.416 2.438 20 70 DEIDRO Cc1c(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC000160524306 402349543 /nfs/dbraw/zinc/34/95/43/402349543.db2.gz VWSRLDKIZKQXCB-CYBMUJFWSA-N 1 0 321.469 2.038 20 70 DEIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160541080 402350033 /nfs/dbraw/zinc/35/00/33/402350033.db2.gz QHKNRMZRHJJHDV-LBPRGKRZSA-N 1 0 316.323 2.477 20 70 DEIDRO Cc1cccc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc(=O)n12 ZINC000160540150 402350141 /nfs/dbraw/zinc/35/01/41/402350141.db2.gz OKTOWTCUIDMMKN-UHFFFAOYSA-N 1 0 323.400 2.106 20 70 DEIDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccncc1 ZINC000160550287 402350559 /nfs/dbraw/zinc/35/05/59/402350559.db2.gz XJZLTWQSVWEXOO-LBPRGKRZSA-N 1 0 308.378 2.345 20 70 DEIDRO COCCCOC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160588537 402352449 /nfs/dbraw/zinc/35/24/49/402352449.db2.gz WVFQUSDCCYAQDR-UHFFFAOYSA-N 1 0 303.406 2.352 20 70 DEIDRO CCc1cc(C(=O)NCC2CC[NH+](CCO)CC2)sc1C ZINC000160601568 402352878 /nfs/dbraw/zinc/35/28/78/402352878.db2.gz UYEWRCXFNMOACB-UHFFFAOYSA-N 1 0 310.463 2.053 20 70 DEIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160605854 402353997 /nfs/dbraw/zinc/35/39/97/402353997.db2.gz CMASVJVVMJBPOX-ZDUSSCGKSA-N 1 0 316.323 2.341 20 70 DEIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160630471 402354512 /nfs/dbraw/zinc/35/45/12/402354512.db2.gz NWCSMYRXVYKTFM-IRXDYDNUSA-N 1 0 319.449 2.284 20 70 DEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C/c1cnn(C)c1C ZINC000160646735 402354902 /nfs/dbraw/zinc/35/49/02/402354902.db2.gz UTQGRODLKFHPOM-VNDWYCCKSA-N 1 0 306.454 2.368 20 70 DEIDRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160751613 402359766 /nfs/dbraw/zinc/35/97/66/402359766.db2.gz TUDBDXUCMLKERF-DLBZAZTESA-N 1 0 319.449 2.500 20 70 DEIDRO CC[N@H+](CCNC(=O)Nc1ccn(CC(F)(F)F)n1)C1CC1 ZINC000160801409 402361326 /nfs/dbraw/zinc/36/13/26/402361326.db2.gz LBVCVSCVUYPORR-UHFFFAOYSA-N 1 0 319.331 2.051 20 70 DEIDRO CC(C)Sc1ccccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000161031501 402370072 /nfs/dbraw/zinc/37/00/72/402370072.db2.gz VHRYDWWKSGTCEC-UHFFFAOYSA-N 1 0 323.462 2.194 20 70 DEIDRO CC[N@H+](C)CCNC(=O)c1c(C)nc(C(C)C)nc1SC ZINC000161059773 402370793 /nfs/dbraw/zinc/37/07/93/402370793.db2.gz XRNBMKQLKGPOLQ-UHFFFAOYSA-N 1 0 310.467 2.312 20 70 DEIDRO CNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000161450482 402388394 /nfs/dbraw/zinc/38/83/94/402388394.db2.gz JOSDBIYKVOXNFR-UHFFFAOYSA-N 1 0 318.204 2.274 20 70 DEIDRO CC[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)[NH+](C)C ZINC000161374100 402385092 /nfs/dbraw/zinc/38/50/92/402385092.db2.gz CVLIVVXTIYGERB-OAHLLOKOSA-N 1 0 300.406 2.375 20 70 DEIDRO CCOCCC[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000160037899 402335405 /nfs/dbraw/zinc/33/54/05/402335405.db2.gz MVQXRKAVMLMDPB-HNNXBMFYSA-N 1 0 320.433 2.410 20 70 DEIDRO Cc1ccc(C)c(OCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159863871 224712353 /nfs/dbraw/zinc/71/23/53/224712353.db2.gz MNAASQUOLIPEQE-IYBDPMFKSA-N 1 0 302.418 2.425 20 70 DEIDRO CS[C@H]1CCC[C@H](NC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000159571210 278161835 /nfs/dbraw/zinc/16/18/35/278161835.db2.gz WCKBNIBNGHSIQY-GJZGRUSLSA-N 1 0 304.459 2.273 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000159950716 279285395 /nfs/dbraw/zinc/28/53/95/279285395.db2.gz GBMALENYLNCNDC-JKSUJKDBSA-N 1 0 311.470 2.175 20 70 DEIDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1Cn1cccn1 ZINC000160639578 295236531 /nfs/dbraw/zinc/23/65/31/295236531.db2.gz UAXIIKDKUXLLPA-ZDUSSCGKSA-N 1 0 303.406 2.362 20 70 DEIDRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C1CC[NH2+]CC1 ZINC000160831385 519717495 /nfs/dbraw/zinc/71/74/95/519717495.db2.gz GABRVWHXCTZIIY-QGZVFWFLSA-N 1 0 322.424 2.343 20 70 DEIDRO CC(C)[C@H](CCO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160702211 519813924 /nfs/dbraw/zinc/81/39/24/519813924.db2.gz DJCLZAQWBCAIQU-DLBZAZTESA-N 1 0 304.434 2.174 20 70 DEIDRO CCCNC(=O)c1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160564417 519903524 /nfs/dbraw/zinc/90/35/24/519903524.db2.gz RFNZBNDHBRBNBJ-RHSMWYFYSA-N 1 0 303.450 2.399 20 70 DEIDRO CCCOc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cn1 ZINC000159834495 520357561 /nfs/dbraw/zinc/35/75/61/520357561.db2.gz MTWDNVSAOIZQOX-UHFFFAOYSA-N 1 0 320.437 2.108 20 70 DEIDRO CCCOc1ccc(OCC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161162588 520405301 /nfs/dbraw/zinc/40/53/01/520405301.db2.gz ODDWTOCNKQXLSY-AWEZNQCLSA-N 1 0 306.406 2.065 20 70 DEIDRO CCCCOc1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000160270139 520852240 /nfs/dbraw/zinc/85/22/40/520852240.db2.gz LSWTZRSLSJBOLB-PMGBHYCQSA-N 1 0 318.417 2.447 20 70 DEIDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC2CCCC2)C1 ZINC000160227971 521101529 /nfs/dbraw/zinc/10/15/29/521101529.db2.gz GLJVVCCGTJDMLI-MRXNPFEDSA-N 1 0 324.465 2.300 20 70 DEIDRO CCC(=O)c1cccc(NC(=O)CCN2CC[NH+](CC)CC2)c1 ZINC000160743801 521252715 /nfs/dbraw/zinc/25/27/15/521252715.db2.gz OUTWUGROSHRWJD-UHFFFAOYSA-N 1 0 317.433 2.245 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000159538138 521608736 /nfs/dbraw/zinc/60/87/36/521608736.db2.gz QFYBBOCICOROOO-UHFFFAOYSA-N 1 0 318.465 2.250 20 70 DEIDRO COCCN(C)CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000159401872 523612406 /nfs/dbraw/zinc/61/24/06/523612406.db2.gz PKLJFYXHVKUBFY-MRXNPFEDSA-N 1 0 316.449 2.160 20 70 DEIDRO C[C@H](CCO)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159873531 524213052 /nfs/dbraw/zinc/21/30/52/524213052.db2.gz PJNBMRLRRHKLCH-KGLIPLIRSA-N 1 0 307.438 2.186 20 70 DEIDRO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160306940 525962970 /nfs/dbraw/zinc/96/29/70/525962970.db2.gz NQFMRMAVRWDIOM-RWMBFGLXSA-N 1 0 308.809 2.460 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160885624 539588191 /nfs/dbraw/zinc/58/81/91/539588191.db2.gz FHTFQZYSENXADD-UONOGXRCSA-N 1 0 304.390 2.044 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000161125614 539589572 /nfs/dbraw/zinc/58/95/72/539589572.db2.gz OEIWXZARQSWWRQ-NEPJUHHUSA-N 1 0 324.808 2.040 20 70 DEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161163703 539589618 /nfs/dbraw/zinc/58/96/18/539589618.db2.gz WADGWYSANRMNLV-CABCVRRESA-N 1 0 312.417 2.489 20 70 DEIDRO O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000159603516 186130465 /nfs/dbraw/zinc/13/04/65/186130465.db2.gz BFZNEXWFSSQGQP-INIZCTEOSA-N 1 0 304.390 2.073 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159738315 186138878 /nfs/dbraw/zinc/13/88/78/186138878.db2.gz NOHLIMLRMLLTJK-UHFFFAOYSA-N 1 0 318.465 2.495 20 70 DEIDRO CCCC(O)(CCC)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000159623359 355962029 /nfs/dbraw/zinc/96/20/29/355962029.db2.gz DMEDCEOFMJTZLJ-OAHLLOKOSA-N 1 0 313.486 2.491 20 70 DEIDRO C[N@H+](CCCNC(=O)N1CCC[C@](C)(O)C1)C1CCCCC1 ZINC000160312209 197399792 /nfs/dbraw/zinc/39/97/92/197399792.db2.gz GPVCBFKIJNYXEP-KRWDZBQOSA-N 1 0 311.470 2.197 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)C1CCCCC1 ZINC000160299429 197398586 /nfs/dbraw/zinc/39/85/86/197398586.db2.gz UOCHOZCHTBVEJV-RDJZCZTQSA-N 1 0 311.470 2.053 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)C1CCCCC1 ZINC000160299688 197398185 /nfs/dbraw/zinc/39/81/85/197398185.db2.gz UOCHOZCHTBVEJV-WBVHZDCISA-N 1 0 311.470 2.053 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000160257756 197395575 /nfs/dbraw/zinc/39/55/75/197395575.db2.gz SHUHDFVJJLQRDV-ZDUSSCGKSA-N 1 0 319.405 2.436 20 70 DEIDRO CCNC(=O)c1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000160178309 197391536 /nfs/dbraw/zinc/39/15/36/197391536.db2.gz NUVYIHCEZLWFOH-JJRVBVJISA-N 1 0 303.450 2.255 20 70 DEIDRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000160122083 197387009 /nfs/dbraw/zinc/38/70/09/197387009.db2.gz QDEFVAUPRLVWAV-UHFFFAOYSA-N 1 0 311.813 2.402 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000159955925 197375954 /nfs/dbraw/zinc/37/59/54/197375954.db2.gz KBZHXWYUGAOUEK-LBPRGKRZSA-N 1 0 323.245 2.351 20 70 DEIDRO CCOc1ncccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159653325 291657246 /nfs/dbraw/zinc/65/72/46/291657246.db2.gz OHXBIIJWVLSXMH-UHFFFAOYSA-N 1 0 313.401 2.472 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC000161212264 291673299 /nfs/dbraw/zinc/67/32/99/291673299.db2.gz OGFZRUCOBUBSFZ-HNNXBMFYSA-N 1 0 301.365 2.444 20 70 DEIDRO Cc1c(CCC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000159447109 197354006 /nfs/dbraw/zinc/35/40/06/197354006.db2.gz KBPYARNBISKAJJ-SOUVJXGZSA-N 1 0 320.481 2.144 20 70 DEIDRO COC1(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CC[NH2+]CC1 ZINC000159894294 292092468 /nfs/dbraw/zinc/09/24/68/292092468.db2.gz PFFWSHTVMQZHTD-HZPDHXFCSA-N 1 0 316.445 2.468 20 70 DEIDRO [NH3+][C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000217361599 402291896 /nfs/dbraw/zinc/29/18/96/402291896.db2.gz OQXSLSGRTZWFRD-LJQANCHMSA-N 1 0 323.440 2.073 20 70 DEIDRO COc1cccc2c1CC[C@H]2NC(=O)NCC[NH+]1CCCCC1 ZINC000160277802 402340098 /nfs/dbraw/zinc/34/00/98/402340098.db2.gz KZWDHBSNQLHHLP-MRXNPFEDSA-N 1 0 317.433 2.468 20 70 DEIDRO Cc1nc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)sc1C ZINC000160385397 402343519 /nfs/dbraw/zinc/34/35/19/402343519.db2.gz QGMVCCITFXNOCN-ZIBATOQPSA-N 1 0 309.435 2.231 20 70 DEIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCOC1 ZINC000160580559 402352537 /nfs/dbraw/zinc/35/25/37/402352537.db2.gz FAKYATNPNOMUJP-YJBOKZPZSA-N 1 0 304.434 2.033 20 70 DEIDRO CCCNC(=O)c1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160596472 402353473 /nfs/dbraw/zinc/35/34/73/402353473.db2.gz CUQXARPXQRIETB-YOEHRIQHSA-N 1 0 303.450 2.256 20 70 DEIDRO Cc1ccccc1-n1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000160636084 402355085 /nfs/dbraw/zinc/35/50/85/402355085.db2.gz DJLDFNVARLOIDJ-IYBDPMFKSA-N 1 0 310.401 2.147 20 70 DEIDRO CC(C)[C@@H](CCO)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160728655 402358687 /nfs/dbraw/zinc/35/86/87/402358687.db2.gz XJWXIOCIUVSJSU-ZWKOTPCHSA-N 1 0 318.461 2.422 20 70 DEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC)CC2)C12CCC2 ZINC000160753016 402359528 /nfs/dbraw/zinc/35/95/28/402359528.db2.gz RCCSWWVHLYRUIL-JKSUJKDBSA-N 1 0 323.481 2.460 20 70 DEIDRO COC1(C(=O)Nc2cccc(CC(F)(F)F)c2)CC[NH2+]CC1 ZINC000160804518 402361225 /nfs/dbraw/zinc/36/12/25/402361225.db2.gz QNBHUZKOYGJPGT-UHFFFAOYSA-N 1 0 316.323 2.499 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000160829344 402362085 /nfs/dbraw/zinc/36/20/85/402362085.db2.gz YQPSVGMXWMJKJC-QGZVFWFLSA-N 1 0 321.465 2.489 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160836569 402362678 /nfs/dbraw/zinc/36/26/78/402362678.db2.gz PACCGNOWHUOZJH-QWHCGFSZSA-N 1 0 300.324 2.418 20 70 DEIDRO C[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC[NH2+]C1 ZINC000160832514 402362681 /nfs/dbraw/zinc/36/26/81/402362681.db2.gz NBBOPQNUWMRWEH-JSGCOSHPSA-N 1 0 300.324 2.276 20 70 DEIDRO CC(C)n1nccc1C(=O)NCCN1CCc2sccc2C1 ZINC000161260955 402379426 /nfs/dbraw/zinc/37/94/26/402379426.db2.gz WEMAAJMZZJQVER-UHFFFAOYSA-N 1 0 318.446 2.314 20 70 DEIDRO COc1ccccc1CN(CCO)CCC[NH+]1CCCCC1 ZINC000161325547 402382565 /nfs/dbraw/zinc/38/25/65/402382565.db2.gz KNDJYSCHJPYDRQ-UHFFFAOYSA-N 1 0 306.450 2.366 20 70 DEIDRO CN(CC1CCOCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000159656267 402327437 /nfs/dbraw/zinc/32/74/37/402327437.db2.gz GHRIDQOPGNIERN-UHFFFAOYSA-N 1 0 323.481 2.461 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)NC1CCC(C)CC1)C(=O)OC ZINC000159679929 402328597 /nfs/dbraw/zinc/32/85/97/402328597.db2.gz UONCKHLVCZRQKE-UHFFFAOYSA-N 1 0 312.454 2.250 20 70 DEIDRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159736622 402329728 /nfs/dbraw/zinc/32/97/28/402329728.db2.gz ZSDZCZSSJHSXMJ-UHFFFAOYSA-N 1 0 302.378 2.066 20 70 DEIDRO CCN(C(=O)CC[NH2+]C(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000159771211 402330135 /nfs/dbraw/zinc/33/01/35/402330135.db2.gz WEOKZHCDILFGCR-MRXNPFEDSA-N 1 0 317.433 2.029 20 70 DEIDRO CC1CCC(N(C)C(=O)CSCCN2CCOCC2)CC1 ZINC000159759715 402330279 /nfs/dbraw/zinc/33/02/79/402330279.db2.gz JWUMCJXIPRIMBW-UHFFFAOYSA-N 1 0 314.495 2.089 20 70 DEIDRO CC(C)Oc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000159802323 402330786 /nfs/dbraw/zinc/33/07/86/402330786.db2.gz ALURMELQYVMMIX-OAHLLOKOSA-N 1 0 320.437 2.010 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159836803 402331492 /nfs/dbraw/zinc/33/14/92/402331492.db2.gz GUEULERFOHTUDB-GFCCVEGCSA-N 1 0 310.442 2.426 20 70 DEIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000159833142 402331596 /nfs/dbraw/zinc/33/15/96/402331596.db2.gz KVTJNGBKVGGOOV-SFHVURJKSA-N 1 0 316.445 2.364 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2sc(C)nc2C)CC1 ZINC000159836269 402331719 /nfs/dbraw/zinc/33/17/19/402331719.db2.gz IBDRDAGMXLHLNQ-UHFFFAOYSA-N 1 0 310.467 2.040 20 70 DEIDRO COCCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159985413 402335163 /nfs/dbraw/zinc/33/51/63/402335163.db2.gz UIWUWCBNOKXPCP-WBVHZDCISA-N 1 0 319.449 2.327 20 70 DEIDRO CC[N@H+](C)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159589760 276070073 /nfs/dbraw/zinc/07/00/73/276070073.db2.gz RRVFGDCQCFMDFB-HOTGVXAUSA-N 1 0 305.422 2.158 20 70 DEIDRO C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1COC2(CCCCC2)O1 ZINC000161034648 276813506 /nfs/dbraw/zinc/81/35/06/276813506.db2.gz RCQJAHBFIITFIE-OAHLLOKOSA-N 1 0 311.422 2.338 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161394146 278132647 /nfs/dbraw/zinc/13/26/47/278132647.db2.gz WRWRFTMBTRRYMY-STQMWFEESA-N 1 0 308.447 2.485 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000159366878 279431296 /nfs/dbraw/zinc/43/12/96/279431296.db2.gz QEZUMQIIBHPCGD-JKSUJKDBSA-N 1 0 321.469 2.348 20 70 DEIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160360455 519715866 /nfs/dbraw/zinc/71/58/66/519715866.db2.gz FCURBNXEDGUSII-JKSUJKDBSA-N 1 0 311.470 2.173 20 70 DEIDRO CCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159835358 520968590 /nfs/dbraw/zinc/96/85/90/520968590.db2.gz DQQZAFJRNLIIIS-UHFFFAOYSA-N 1 0 306.406 2.181 20 70 DEIDRO CC[C@H](CNC(=O)[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000161224045 522182739 /nfs/dbraw/zinc/18/27/39/522182739.db2.gz WNJXOOUEAIIRRS-MNOVXSKESA-N 1 0 313.239 2.481 20 70 DEIDRO CCc1nc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cs1 ZINC000160498453 522257639 /nfs/dbraw/zinc/25/76/39/522257639.db2.gz TYUOMCOIYORWCR-CQSZACIVSA-N 1 0 309.479 2.485 20 70 DEIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccccc1Cl ZINC000159713326 523826964 /nfs/dbraw/zinc/82/69/64/523826964.db2.gz KFVNQRLWUAXONY-GFCCVEGCSA-N 1 0 311.813 2.112 20 70 DEIDRO COc1ccc(OCCCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000159387678 524942117 /nfs/dbraw/zinc/94/21/17/524942117.db2.gz QLUXWLVCRSYZIL-GOSISDBHSA-N 1 0 318.417 2.066 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160385000 525579370 /nfs/dbraw/zinc/57/93/70/525579370.db2.gz SUMQOSOTYDSKIT-HIFRSBDPSA-N 1 0 310.438 2.297 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000160825039 526225920 /nfs/dbraw/zinc/22/59/20/526225920.db2.gz UVPNVQKHKISZKL-MRXNPFEDSA-N 1 0 318.465 2.352 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000159863090 526573546 /nfs/dbraw/zinc/57/35/46/526573546.db2.gz RQUZATFTVLBMDU-GHMZBOCLSA-N 1 0 308.426 2.177 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000160767423 539587623 /nfs/dbraw/zinc/58/76/23/539587623.db2.gz CJRJNCZFQNDPHJ-CVEARBPZSA-N 1 0 316.449 2.462 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000160779615 539587753 /nfs/dbraw/zinc/58/77/53/539587753.db2.gz LCDUWPRXACQLCB-UWVGGRQHSA-N 1 0 317.311 2.022 20 70 DEIDRO CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cnc21 ZINC000160764636 539588021 /nfs/dbraw/zinc/58/80/21/539588021.db2.gz JBFMCFYITGQMAW-HUUCEWRRSA-N 1 0 315.421 2.087 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2Br)C1 ZINC000160890004 539588718 /nfs/dbraw/zinc/58/87/18/539588718.db2.gz PVSKNNYGTPKNKI-VXGBXAGGSA-N 1 0 311.223 2.378 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000161065993 539589392 /nfs/dbraw/zinc/58/93/92/539589392.db2.gz GXHCLUUARHOFGT-JKSUJKDBSA-N 1 0 320.408 2.260 20 70 DEIDRO CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161172580 539589478 /nfs/dbraw/zinc/58/94/78/539589478.db2.gz MFCKIPSQAYTQSA-HOTGVXAUSA-N 1 0 318.417 2.434 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000161334549 539591437 /nfs/dbraw/zinc/59/14/37/539591437.db2.gz GBSIZKJSBIRBNE-MNOVXSKESA-N 1 0 317.311 2.022 20 70 DEIDRO Cc1cc(Br)ccc1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159545585 186126317 /nfs/dbraw/zinc/12/63/17/186126317.db2.gz JOGYOCZOQUVRFA-GFCCVEGCSA-N 1 0 311.223 2.373 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159499186 283868256 /nfs/dbraw/zinc/86/82/56/283868256.db2.gz HSWZMMAAMFHVOH-MRVPVSSYSA-N 1 0 318.261 2.472 20 70 DEIDRO Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000160065530 197383134 /nfs/dbraw/zinc/38/31/34/197383134.db2.gz ISPHSEJNLFXBNQ-VOTSOKGWSA-N 1 0 312.845 2.368 20 70 DEIDRO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)n1 ZINC000160084218 197384541 /nfs/dbraw/zinc/38/45/41/197384541.db2.gz YTAMOIRMEMKEEO-INIZCTEOSA-N 1 0 324.432 2.455 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000159989002 197378937 /nfs/dbraw/zinc/37/89/37/197378937.db2.gz CDEQJJYEMAAJGR-UHFFFAOYSA-N 1 0 310.829 2.015 20 70 DEIDRO C[N@H+](CCCNC(=O)N1CCC[C@](C)(O)C1)Cc1ccccc1 ZINC000159950929 197376180 /nfs/dbraw/zinc/37/61/80/197376180.db2.gz GFDZEJRAKCLKKM-SFHVURJKSA-N 1 0 319.449 2.065 20 70 DEIDRO Cc1onc(-c2ccncc2)c1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000159911298 197372921 /nfs/dbraw/zinc/37/29/21/197372921.db2.gz CPSCBTLTKSFAAO-AWEZNQCLSA-N 1 0 314.389 2.211 20 70 DEIDRO Cc1noc(COc2ccc(NC(=O)CC[NH2+]C(C)C)cc2)n1 ZINC000159663885 291657294 /nfs/dbraw/zinc/65/72/94/291657294.db2.gz GVULBVUFIYEGGM-UHFFFAOYSA-N 1 0 318.377 2.284 20 70 DEIDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)C[NH3+])cc1 ZINC000161032088 291671775 /nfs/dbraw/zinc/67/17/75/291671775.db2.gz INTMBSAGGQUKPK-CVEARBPZSA-N 1 0 306.406 2.240 20 70 DEIDRO Cc1ncc(C[NH+]2CCC(CC(N)=O)CC2)n1-c1ccccc1 ZINC000159777829 197363249 /nfs/dbraw/zinc/36/32/49/197363249.db2.gz MWFNYXWKPPHTSD-UHFFFAOYSA-N 1 0 312.417 2.268 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000159525601 197361160 /nfs/dbraw/zinc/36/11/60/197361160.db2.gz HGXCVPWYFYRRRT-ZJUUUORDSA-N 1 0 315.211 2.089 20 70 DEIDRO CN(CCC1CC1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000159499102 197358933 /nfs/dbraw/zinc/35/89/33/197358933.db2.gz NGERHABDMUDCQU-UHFFFAOYSA-N 1 0 318.421 2.111 20 70 DEIDRO COC(=O)c1ccc(NC(=O)CC2CC[NH2+]CC2)cc1Cl ZINC000159465284 197356016 /nfs/dbraw/zinc/35/60/16/197356016.db2.gz PDCPLCHAXBQOEW-UHFFFAOYSA-N 1 0 310.781 2.455 20 70 DEIDRO COC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)c1ccc(C)o1 ZINC000159374291 197348417 /nfs/dbraw/zinc/34/84/17/197348417.db2.gz SQFLDBWZQYPIFE-AWEZNQCLSA-N 1 0 311.426 2.257 20 70 DEIDRO O=C(Cc1ccccc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000217268399 402291114 /nfs/dbraw/zinc/29/11/14/402291114.db2.gz FVWSSZJIPZYZMB-LLVKDONJSA-N 1 0 311.223 2.107 20 70 DEIDRO CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000217802770 402293918 /nfs/dbraw/zinc/29/39/18/402293918.db2.gz SRFVTDOBQKMNCZ-CYBMUJFWSA-N 1 0 308.426 2.392 20 70 DEIDRO COCC[NH2+]CC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159604043 402326377 /nfs/dbraw/zinc/32/63/77/402326377.db2.gz FPKIKOMEYMNYIT-UHFFFAOYSA-N 1 0 306.406 2.320 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CCN(Cc1ccccc1)C(C)=O ZINC000160421315 402344588 /nfs/dbraw/zinc/34/45/88/402344588.db2.gz RREXEDIINXZNKM-UHFFFAOYSA-N 1 0 319.449 2.059 20 70 DEIDRO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1C ZINC000160515937 402348837 /nfs/dbraw/zinc/34/88/37/402348837.db2.gz NQMNYGRJPWSYCX-HZMBPMFUSA-N 1 0 302.426 2.085 20 70 DEIDRO CCC(CC)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)on1 ZINC000160504893 402348885 /nfs/dbraw/zinc/34/88/85/402348885.db2.gz TZBPSJGRJSIJJO-CQSZACIVSA-N 1 0 323.437 2.155 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1 ZINC000160616660 402353759 /nfs/dbraw/zinc/35/37/59/402353759.db2.gz SADIDGOIWPWPHF-AWEZNQCLSA-N 1 0 318.417 2.451 20 70 DEIDRO COC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000160619545 402354219 /nfs/dbraw/zinc/35/42/19/402354219.db2.gz JEUNRHTVWXKTHP-GOSISDBHSA-N 1 0 306.450 2.279 20 70 DEIDRO O=C(c1csc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160670142 402356271 /nfs/dbraw/zinc/35/62/71/402356271.db2.gz NBNGCUWDKXNFAH-AOOOYVTPSA-N 1 0 315.236 2.477 20 70 DEIDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H](CCO)C(C)(C)C)cc1 ZINC000161433826 402387781 /nfs/dbraw/zinc/38/77/81/402387781.db2.gz RLFSRLGGWRYJPK-INIZCTEOSA-N 1 0 321.465 2.345 20 70 DEIDRO Cc1c(/C=C/C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC000160779731 402360031 /nfs/dbraw/zinc/36/00/31/402360031.db2.gz GXIWOKAMTOSESL-KGYPOUGPSA-N 1 0 318.465 2.368 20 70 DEIDRO O=C(N[C@@H](CO)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160821865 402362010 /nfs/dbraw/zinc/36/20/10/402362010.db2.gz HTCGYCDDMYRAFH-WBVHZDCISA-N 1 0 317.433 2.036 20 70 DEIDRO CCN(CC(C)(C)O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160909896 402365561 /nfs/dbraw/zinc/36/55/61/402365561.db2.gz FLXOJWUCNNEJGS-HNNXBMFYSA-N 1 0 313.486 2.299 20 70 DEIDRO COc1ccc(NC(=O)[C@H](C)[NH3+])cc1NC(=O)C1CCCCC1 ZINC000160920030 402366143 /nfs/dbraw/zinc/36/61/43/402366143.db2.gz FSPHNTILHUOYPJ-NSHDSACASA-N 1 0 319.405 2.500 20 70 DEIDRO C(CN1CCC[C@@H](c2nnc3n2CCC3)C1)C[NH+]1CCCCC1 ZINC000160994544 402368851 /nfs/dbraw/zinc/36/88/51/402368851.db2.gz ZHYRTRBKXARGRP-MRXNPFEDSA-N 1 0 317.481 2.280 20 70 DEIDRO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161035723 402370305 /nfs/dbraw/zinc/37/03/05/402370305.db2.gz HABUFEONKVDAIO-OAHLLOKOSA-N 1 0 318.417 2.430 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(F)cc1Cl ZINC000161156516 402375238 /nfs/dbraw/zinc/37/52/38/402375238.db2.gz MEVQSPXXHOGPNW-NSHDSACASA-N 1 0 300.761 2.068 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000161218576 402378525 /nfs/dbraw/zinc/37/85/25/402378525.db2.gz LSIDHGILOMTQPX-HNNXBMFYSA-N 1 0 324.428 2.185 20 70 DEIDRO COCC[NH2+]CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161336198 402383151 /nfs/dbraw/zinc/38/31/51/402383151.db2.gz SBWGZPOBCPTIRB-UHFFFAOYSA-N 1 0 310.369 2.322 20 70 DEIDRO C[C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)[NH+]1CCCCCC1 ZINC000161357965 402384745 /nfs/dbraw/zinc/38/47/45/402384745.db2.gz HLLNKROKOCFZDD-JKSUJKDBSA-N 1 0 316.449 2.041 20 70 DEIDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159722762 402328720 /nfs/dbraw/zinc/32/87/20/402328720.db2.gz NFHVNTFRNAQZRW-UTUOFQBUSA-N 1 0 310.344 2.085 20 70 DEIDRO CCS[C@H](C)c1noc(CSCCN2CCOCC2)n1 ZINC000159772530 402330241 /nfs/dbraw/zinc/33/02/41/402330241.db2.gz AKBNOPZPJZNTQW-LLVKDONJSA-N 1 0 317.480 2.449 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000159777324 402330352 /nfs/dbraw/zinc/33/03/52/402330352.db2.gz CMUONQBKHQUWCK-UHFFFAOYSA-N 1 0 312.417 2.472 20 70 DEIDRO CN(CCCc1nc(-c2cccs2)no1)[C@H](C[NH3+])C1CC1 ZINC000160061494 402335545 /nfs/dbraw/zinc/33/55/45/402335545.db2.gz FKWIVIWYIAGBOJ-GFCCVEGCSA-N 1 0 306.435 2.400 20 70 DEIDRO Cc1ccc(C(=O)CCN2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000160128101 402337040 /nfs/dbraw/zinc/33/70/40/402337040.db2.gz CBDXCGXNZGZPAK-ROUUACIJSA-N 1 0 303.402 2.448 20 70 DEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCc2cccc(Br)c2C1 ZINC000160917461 275004864 /nfs/dbraw/zinc/00/48/64/275004864.db2.gz YTKUWDWQVDFDIM-GFCCVEGCSA-N 1 0 323.234 2.333 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000161161025 277284672 /nfs/dbraw/zinc/28/46/72/277284672.db2.gz LZVRTJJMBNNUBG-TZMCWYRMSA-N 1 0 308.809 2.102 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161397572 278131409 /nfs/dbraw/zinc/13/14/09/278131409.db2.gz WRWRFTMBTRRYMY-CHWSQXEVSA-N 1 0 308.447 2.485 20 70 DEIDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)N(C)C1CC1 ZINC000218561020 337339809 /nfs/dbraw/zinc/33/98/09/337339809.db2.gz SUDFFJFQWKECND-SWLSCSKDSA-N 1 0 312.841 2.152 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)NCC2CC[NH+](C)CC2)n1 ZINC000160072041 519703446 /nfs/dbraw/zinc/70/34/46/519703446.db2.gz DUTXJROAGSNCHO-UHFFFAOYSA-N 1 0 307.442 2.393 20 70 DEIDRO Cn1cnc2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cnc21 ZINC000159674885 522084243 /nfs/dbraw/zinc/08/42/43/522084243.db2.gz BNMGNSUJOBMFEY-MRXNPFEDSA-N 1 0 323.400 2.001 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000161187804 522086660 /nfs/dbraw/zinc/08/66/60/522086660.db2.gz OXVBTUKESIOBSX-WBVHZDCISA-N 1 0 318.417 2.068 20 70 DEIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000159444427 524889836 /nfs/dbraw/zinc/88/98/36/524889836.db2.gz DHKKSRIWINIDAH-BBRMVZONSA-N 1 0 324.852 2.498 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160973281 525546343 /nfs/dbraw/zinc/54/63/43/525546343.db2.gz OGIIBEAWMQPSGI-CABCVRRESA-N 1 0 324.490 2.214 20 70 DEIDRO COc1ccc(COCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159545757 539582943 /nfs/dbraw/zinc/58/29/43/539582943.db2.gz FKNJMIUYUSWYPP-UHFFFAOYSA-N 1 0 320.433 2.380 20 70 DEIDRO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)C[C@H](O)C3CC3)C2=O)c1 ZINC000160752150 539587183 /nfs/dbraw/zinc/58/71/83/539587183.db2.gz FKQMRWMJAOBUMJ-RDJZCZTQSA-N 1 0 320.408 2.332 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000160767172 539587869 /nfs/dbraw/zinc/58/78/69/539587869.db2.gz CJRJNCZFQNDPHJ-HOTGVXAUSA-N 1 0 316.449 2.462 20 70 DEIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160931341 539588223 /nfs/dbraw/zinc/58/82/23/539588223.db2.gz BKIHDKCXMOYXGA-RDTXWAMCSA-N 1 0 323.400 2.437 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000160981582 539588612 /nfs/dbraw/zinc/58/86/12/539588612.db2.gz ZYFAJSNZXBINEK-NWDGAFQWSA-N 1 0 305.403 2.332 20 70 DEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161163464 539589016 /nfs/dbraw/zinc/58/90/16/539589016.db2.gz WADGWYSANRMNLV-GJZGRUSLSA-N 1 0 312.417 2.489 20 70 DEIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H](C)c1ccncc1 ZINC000161098324 539589019 /nfs/dbraw/zinc/58/90/19/539589019.db2.gz RSMYNRPMRNPZPC-HOCLYGCPSA-N 1 0 307.438 2.048 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000161112886 539589105 /nfs/dbraw/zinc/58/91/05/539589105.db2.gz VHGDUMCEVOTSGE-STQMWFEESA-N 1 0 302.353 2.216 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000161121992 539589633 /nfs/dbraw/zinc/58/96/33/539589633.db2.gz QEBZKFXUPRUQFA-HZPDHXFCSA-N 1 0 312.417 2.191 20 70 DEIDRO CCc1c(C(=O)NC2CC[NH+](C3CC3)CC2)cnn1CC(C)C ZINC000161295497 539589986 /nfs/dbraw/zinc/58/99/86/539589986.db2.gz IJXMATGRTSIZQC-UHFFFAOYSA-N 1 0 318.465 2.458 20 70 DEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000161298351 539590272 /nfs/dbraw/zinc/59/02/72/539590272.db2.gz OZXDYNDCLBYNOI-CYBMUJFWSA-N 1 0 319.430 2.149 20 70 DEIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000161404365 539591374 /nfs/dbraw/zinc/59/13/74/539591374.db2.gz KLUYRMUCUQHIGN-YOEHRIQHSA-N 1 0 323.400 2.089 20 70 DEIDRO CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000161401838 539590936 /nfs/dbraw/zinc/59/09/36/539590936.db2.gz XZHBBBUHWUXCCY-UONOGXRCSA-N 1 0 306.406 2.484 20 70 DEIDRO CC(=O)Nc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1F ZINC000159532577 186125495 /nfs/dbraw/zinc/12/54/95/186125495.db2.gz XTDCVEYGNCOUEK-UHFFFAOYSA-N 1 0 307.369 2.176 20 70 DEIDRO O=C1CCCN1CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000159533125 186125617 /nfs/dbraw/zinc/12/56/17/186125617.db2.gz GDNVLVIGIFZSPW-UHFFFAOYSA-N 1 0 301.434 2.258 20 70 DEIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cnn(CC(F)(F)F)c1 ZINC000159698937 186136462 /nfs/dbraw/zinc/13/64/62/186136462.db2.gz YWCCSSKIJKMVSJ-FGWVZKOKSA-N 1 0 316.327 2.305 20 70 DEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159787661 355961903 /nfs/dbraw/zinc/96/19/03/355961903.db2.gz JLPRHJZGZXWTBV-ZDUSSCGKSA-N 1 0 305.397 2.235 20 70 DEIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1 ZINC000160638765 197427164 /nfs/dbraw/zinc/42/71/64/197427164.db2.gz CFQQDCHBRBDYGK-LXZKKBNFSA-N 1 0 300.406 2.469 20 70 DEIDRO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160514534 197417688 /nfs/dbraw/zinc/41/76/88/197417688.db2.gz ZZEMEFVSUJMEMB-YOEHRIQHSA-N 1 0 322.424 2.282 20 70 DEIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160296188 197398403 /nfs/dbraw/zinc/39/84/03/197398403.db2.gz BHJKOZXCIHRDBR-BZNIZROVSA-N 1 0 313.405 2.211 20 70 DEIDRO CC[C@@H](C)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160352613 197403072 /nfs/dbraw/zinc/40/30/72/197403072.db2.gz NCAACFOCJIXKLD-GDBMZVCRSA-N 1 0 322.449 2.465 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000160257695 197395848 /nfs/dbraw/zinc/39/58/48/197395848.db2.gz SHUHDFVJJLQRDV-CYBMUJFWSA-N 1 0 319.405 2.436 20 70 DEIDRO CC(C)c1nc(C(=O)NCCC[NH3+])nn1-c1ccccc1Cl ZINC000160105105 197386040 /nfs/dbraw/zinc/38/60/40/197386040.db2.gz SEEYSGKRBOQTEI-UHFFFAOYSA-N 1 0 321.812 2.123 20 70 DEIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160080720 197384425 /nfs/dbraw/zinc/38/44/25/197384425.db2.gz HLVIQEQGPGJSLF-NVXWUHKLSA-N 1 0 304.434 2.143 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000160029904 197381307 /nfs/dbraw/zinc/38/13/07/197381307.db2.gz ZIZNHGXTBZZJFB-AWEZNQCLSA-N 1 0 313.486 2.469 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000160002182 197379502 /nfs/dbraw/zinc/37/95/02/197379502.db2.gz NLNLCJJEUNMKMV-UHFFFAOYSA-N 1 0 312.845 2.242 20 70 DEIDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc(OC)c1O ZINC000159900161 197371898 /nfs/dbraw/zinc/37/18/98/197371898.db2.gz AECQSGOLNTYPPA-GFCCVEGCSA-N 1 0 322.405 2.014 20 70 DEIDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(OC)c1O ZINC000159900036 197371705 /nfs/dbraw/zinc/37/17/05/197371705.db2.gz AECQSGOLNTYPPA-LBPRGKRZSA-N 1 0 322.405 2.014 20 70 DEIDRO OC[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000159851652 197369207 /nfs/dbraw/zinc/36/92/07/197369207.db2.gz IDSASCYXRJIMEV-KGLIPLIRSA-N 1 0 303.324 2.066 20 70 DEIDRO C[C@H]1C[C@H](NC(=O)N2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159845740 197367946 /nfs/dbraw/zinc/36/79/46/197367946.db2.gz XRYTVXDQYGRAOD-HOCLYGCPSA-N 1 0 319.474 2.408 20 70 DEIDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161499567 291675664 /nfs/dbraw/zinc/67/56/64/291675664.db2.gz HEJDMOLAJDWOAT-SMDDNHRTSA-N 1 0 322.371 2.023 20 70 DEIDRO C[N@H+](CCn1ccnc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815669 197366670 /nfs/dbraw/zinc/36/66/70/197366670.db2.gz FENATODFNFWFJN-OAHLLOKOSA-N 1 0 318.808 2.274 20 70 DEIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000159458343 197355427 /nfs/dbraw/zinc/35/54/27/197355427.db2.gz HKNJZOGLZASUHI-CYBMUJFWSA-N 1 0 302.465 2.042 20 70 DEIDRO Cc1c(CCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000159446833 197354489 /nfs/dbraw/zinc/35/44/89/197354489.db2.gz KBPYARNBISKAJJ-QLFBSQMISA-N 1 0 320.481 2.144 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159447662 197354104 /nfs/dbraw/zinc/35/41/04/197354104.db2.gz LJALSEIQRHEYBB-SQNIBIBYSA-N 1 0 316.445 2.283 20 70 DEIDRO COC[C@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000159440268 197353514 /nfs/dbraw/zinc/35/35/14/197353514.db2.gz HUOORQHOTNXTCH-GXTWGEPZSA-N 1 0 308.378 2.067 20 70 DEIDRO CCN(CCC[NH+]1CCCCC1)[C@H](C)CS(=O)(=O)CC ZINC000161358281 284897069 /nfs/dbraw/zinc/89/70/69/284897069.db2.gz UURKWXRZFKLMFU-OAHLLOKOSA-N 1 0 304.500 2.008 20 70 DEIDRO O=C(C[C@H]1C[NH2+]CCO1)N1CC2(CCCC2)c2ccccc21 ZINC000159369129 402322406 /nfs/dbraw/zinc/32/24/06/402322406.db2.gz PWDFKECHQCLMNZ-AWEZNQCLSA-N 1 0 300.402 2.224 20 70 DEIDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc3ccccc3o2)CC1 ZINC000216931575 402290088 /nfs/dbraw/zinc/29/00/88/402290088.db2.gz WCYWIGWMVCBAAN-CYBMUJFWSA-N 1 0 303.406 2.357 20 70 DEIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160326910 402340856 /nfs/dbraw/zinc/34/08/56/402340856.db2.gz BWEPIEKYYFBSEE-DGCLKSJQSA-N 1 0 316.405 2.269 20 70 DEIDRO CCc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC)cnn1CC(C)C ZINC000160331926 402341044 /nfs/dbraw/zinc/34/10/44/402341044.db2.gz FOXOGUZXTNWROD-AWEZNQCLSA-N 1 0 306.454 2.316 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)Cc1ccccc1OC(F)F ZINC000160473820 402346934 /nfs/dbraw/zinc/34/69/34/402346934.db2.gz JMCKZJPLBJARSK-UHFFFAOYSA-N 1 0 300.349 2.464 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000160479086 402346987 /nfs/dbraw/zinc/34/69/87/402346987.db2.gz YVTVMZDGMPHQOP-GOSISDBHSA-N 1 0 316.445 2.142 20 70 DEIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160587078 402352424 /nfs/dbraw/zinc/35/24/24/402352424.db2.gz KCRIDHLGJDQMER-IKGGRYGDSA-N 1 0 323.481 2.460 20 70 DEIDRO CC(C)(C)c1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160662473 402356027 /nfs/dbraw/zinc/35/60/27/402356027.db2.gz WQTLMPJPELMYHM-UHFFFAOYSA-N 1 0 318.461 2.418 20 70 DEIDRO CC[C@H](C)c1cc(C(=O)NCCCC[NH+]2CCOCC2)on1 ZINC000160681789 402356942 /nfs/dbraw/zinc/35/69/42/402356942.db2.gz NUKZKNXQLURQIK-ZDUSSCGKSA-N 1 0 309.410 2.030 20 70 DEIDRO CCOC(=O)CC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160707976 402358148 /nfs/dbraw/zinc/35/81/48/402358148.db2.gz KAMFZXFDNJKCEF-CYBMUJFWSA-N 1 0 302.378 2.213 20 70 DEIDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160778671 402360242 /nfs/dbraw/zinc/36/02/42/402360242.db2.gz GMZPRHOAVPIWQV-ZHALLVOQSA-N 1 0 319.445 2.362 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[C@H](O)C(C)C ZINC000160918455 402365198 /nfs/dbraw/zinc/36/51/98/402365198.db2.gz UUOJWGXEFJWDCC-HOTGVXAUSA-N 1 0 313.486 2.203 20 70 DEIDRO CC[NH+](CC)CCN(CCOC)Cc1c(C)nc2ccccn21 ZINC000160952566 402367196 /nfs/dbraw/zinc/36/71/96/402367196.db2.gz ZGICWZJHQGGMSY-UHFFFAOYSA-N 1 0 318.465 2.433 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[C@@H](C)O ZINC000160965184 402367249 /nfs/dbraw/zinc/36/72/49/402367249.db2.gz DSLOGKSXADWNOU-ARFHVFGLSA-N 1 0 313.486 2.203 20 70 DEIDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000161471617 402388673 /nfs/dbraw/zinc/38/86/73/402388673.db2.gz DXJYKAWZTSLSLK-SJORKVTESA-N 1 0 302.418 2.336 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000161218445 402378100 /nfs/dbraw/zinc/37/81/00/402378100.db2.gz ADIKFFMXBSGHJD-HNNXBMFYSA-N 1 0 316.380 2.144 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnc2onc(C(C)C)c2c1 ZINC000161334218 402383435 /nfs/dbraw/zinc/38/34/35/402383435.db2.gz LLWWRFLGGHKYBI-GFCCVEGCSA-N 1 0 302.378 2.170 20 70 DEIDRO COCCC[C@H]([NH2+]CCO)c1ccc(Br)cc1 ZINC000159691361 402328498 /nfs/dbraw/zinc/32/84/98/402328498.db2.gz WRAHFSHSVCFRCD-ZDUSSCGKSA-N 1 0 302.212 2.499 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2cc(C)cc(C)c2)CC1 ZINC000159742811 402329684 /nfs/dbraw/zinc/32/96/84/402329684.db2.gz MSTLPSNOZZZWEA-UHFFFAOYSA-N 1 0 319.449 2.419 20 70 DEIDRO C[C@@H](c1ccco1)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159761033 402330340 /nfs/dbraw/zinc/33/03/40/402330340.db2.gz DZAMNUJAMCUGNF-LBPRGKRZSA-N 1 0 305.378 2.137 20 70 DEIDRO COc1cc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)ccn1 ZINC000159877595 402332769 /nfs/dbraw/zinc/33/27/69/402332769.db2.gz AUEUSSOPYFICBU-UHFFFAOYSA-N 1 0 320.437 2.106 20 70 DEIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCOC1 ZINC000160202674 402338175 /nfs/dbraw/zinc/33/81/75/402338175.db2.gz HUSKGZVCFXMTBH-KCQAQPDRSA-N 1 0 306.381 2.336 20 70 DEIDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161499473 402389871 /nfs/dbraw/zinc/38/98/71/402389871.db2.gz HEJDMOLAJDWOAT-BXUZGUMPSA-N 1 0 322.371 2.023 20 70 DEIDRO C/C=C/c1ccc(OCC(=O)N2CCC[C@H]2C[NH2+]C)c(OC)c1 ZINC000161247955 518552152 /nfs/dbraw/zinc/55/21/52/518552152.db2.gz WSJHSZZYMMEJES-DRDHIDPGSA-N 1 0 318.417 2.318 20 70 DEIDRO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160206650 519809507 /nfs/dbraw/zinc/80/95/07/519809507.db2.gz OADVHFWVMPCKQG-MSOLQXFVSA-N 1 0 318.461 2.389 20 70 DEIDRO CCCOc1ncccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159759011 520499381 /nfs/dbraw/zinc/49/93/81/520499381.db2.gz DGWXYZCIFJXJGU-UHFFFAOYSA-N 1 0 320.437 2.108 20 70 DEIDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@@H]1CCOC1 ZINC000160486954 522882713 /nfs/dbraw/zinc/88/27/13/522882713.db2.gz OXUJYXDAYRIJPW-RTBURBONSA-N 1 0 318.461 2.424 20 70 DEIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000159405850 523610304 /nfs/dbraw/zinc/61/03/04/523610304.db2.gz PJTCFPUVBVVAGK-OAHLLOKOSA-N 1 0 319.449 2.042 20 70 DEIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2nccs2)CC1 ZINC000160619584 524051327 /nfs/dbraw/zinc/05/13/27/524051327.db2.gz PCVLFBBNXXIRIR-UHFFFAOYSA-N 1 0 310.467 2.407 20 70 DEIDRO COc1cccc(OCCC[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000160992718 526231217 /nfs/dbraw/zinc/23/12/17/526231217.db2.gz YQUMVRSKBIHASC-QGZVFWFLSA-N 1 0 314.385 2.280 20 70 DEIDRO O=C(CCc1ccc(F)cc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160143529 526590984 /nfs/dbraw/zinc/59/09/84/526590984.db2.gz BMQRVIXYURKDNO-GFCCVEGCSA-N 1 0 308.372 2.498 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161183018 282176109 /nfs/dbraw/zinc/17/61/09/282176109.db2.gz UDWMSDVLHLQTHB-HOTGVXAUSA-N 1 0 321.465 2.386 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000160763364 539587642 /nfs/dbraw/zinc/58/76/42/539587642.db2.gz WSCLWIAYFSAXGA-WDEREUQCSA-N 1 0 302.403 2.205 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000161197376 539589895 /nfs/dbraw/zinc/58/98/95/539589895.db2.gz IRTXDGWDRVIVPY-ZJUUUORDSA-N 1 0 313.195 2.154 20 70 DEIDRO CC(C)OCC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000160218436 539585766 /nfs/dbraw/zinc/58/57/66/539585766.db2.gz WGOWHJGBKNTJPO-HNNXBMFYSA-N 1 0 301.814 2.232 20 70 DEIDRO [NH3+]C1(CC(=O)N2CC[C@@H](COCc3ccccc3)C2)CCC1 ZINC000161328783 539590922 /nfs/dbraw/zinc/59/09/22/539590922.db2.gz CPTIETRMOCEUNW-MRXNPFEDSA-N 1 0 302.418 2.323 20 70 DEIDRO c1cc2nc(-c3ccccc3)cc(N3C[C@H]4C[NH2+]C[C@@H]4C3)n2n1 ZINC000216922629 539726375 /nfs/dbraw/zinc/72/63/75/539726375.db2.gz ZBCXYHNYJJPTFM-HUUCEWRRSA-N 1 0 305.385 2.052 20 70 DEIDRO [NH3+]C1(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CCCCC1 ZINC000159530757 186125311 /nfs/dbraw/zinc/12/53/11/186125311.db2.gz OIBGJLDICFMBKA-UHFFFAOYSA-N 1 0 317.364 2.059 20 70 DEIDRO C[C@@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159654174 186133733 /nfs/dbraw/zinc/13/37/33/186133733.db2.gz WBTTZYXPDCCOLA-DTWKUNHWSA-N 1 0 317.252 2.393 20 70 DEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159666437 186134134 /nfs/dbraw/zinc/13/41/34/186134134.db2.gz GDNDWSDXFIWWLD-UXLLHSPISA-N 1 0 304.434 2.204 20 70 DEIDRO CCc1cccc(CC(=O)NC2CC[NH+](CCOC)CC2)c1 ZINC000161350515 291674540 /nfs/dbraw/zinc/67/45/40/291674540.db2.gz BAOMKVSRJZPIKC-UHFFFAOYSA-N 1 0 304.434 2.019 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159628957 355961937 /nfs/dbraw/zinc/96/19/37/355961937.db2.gz ZZESLCMUDXQZMJ-FZMZJTMJSA-N 1 0 320.437 2.178 20 70 DEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccnc1)C1CC1 ZINC000160709347 355965214 /nfs/dbraw/zinc/96/52/14/355965214.db2.gz LENIBWUIUZQPKF-MRXNPFEDSA-N 1 0 314.433 2.240 20 70 DEIDRO CCCO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160731099 355966632 /nfs/dbraw/zinc/96/66/32/355966632.db2.gz IXRWHUNSYWORGQ-DLBZAZTESA-N 1 0 323.481 2.461 20 70 DEIDRO CCC[C@H](C(=O)Nc1ccc2c(c1)CCN2C(C)=O)[NH+](C)C ZINC000161269888 197479798 /nfs/dbraw/zinc/47/97/98/197479798.db2.gz WNBWJWIOZQKZGT-MRXNPFEDSA-N 1 0 303.406 2.264 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000161232249 197477007 /nfs/dbraw/zinc/47/70/07/197477007.db2.gz POLDXVIFCPYZGS-UHFFFAOYSA-N 1 0 314.433 2.463 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000160907437 197449743 /nfs/dbraw/zinc/44/97/43/197449743.db2.gz BZPXMEMZXYFEHF-HUUCEWRRSA-N 1 0 311.470 2.365 20 70 DEIDRO O=C(CCc1ccoc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160655696 197429299 /nfs/dbraw/zinc/42/92/99/197429299.db2.gz ZTDDBXUGKBHNGG-DLBZAZTESA-N 1 0 320.433 2.096 20 70 DEIDRO C[NH+](C)CC(C)(C)CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000160334153 197401104 /nfs/dbraw/zinc/40/11/04/197401104.db2.gz BANRAUAUAUWVLV-GFCCVEGCSA-N 1 0 311.451 2.312 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000160319938 197399685 /nfs/dbraw/zinc/39/96/85/197399685.db2.gz BVTCUSKYFXPZEL-CQSZACIVSA-N 1 0 304.781 2.089 20 70 DEIDRO O=C(CC/C=C/c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160178847 197391404 /nfs/dbraw/zinc/39/14/04/197391404.db2.gz DFKVDPXYPRPRBK-HNDWGLKSSA-N 1 0 316.445 2.443 20 70 DEIDRO O=S(=O)(c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160165864 197390782 /nfs/dbraw/zinc/39/07/82/197390782.db2.gz ZVSKXOJXYCDKKO-OAHLLOKOSA-N 1 0 308.447 2.326 20 70 DEIDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000159974226 197378067 /nfs/dbraw/zinc/37/80/67/197378067.db2.gz BRNCQQVTZTYEMD-LBPRGKRZSA-N 1 0 302.827 2.006 20 70 DEIDRO CCC[N@H+](CCCNC(C)=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000159987251 197377693 /nfs/dbraw/zinc/37/76/93/197377693.db2.gz JLOSTDOBILTUSD-CQSZACIVSA-N 1 0 305.422 2.252 20 70 DEIDRO CC(C)([NH3+])CNC(=O)/C=C/c1cc(Br)ccc1F ZINC000159948642 197376308 /nfs/dbraw/zinc/37/63/08/197376308.db2.gz XSESUKMLWRZMMO-ZZXKWVIFSA-N 1 0 315.186 2.455 20 70 DEIDRO C[C@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000159881929 197370578 /nfs/dbraw/zinc/37/05/78/197370578.db2.gz MUJMPNLPHSIWPM-DZGCQCFKSA-N 1 0 313.405 2.205 20 70 DEIDRO CC(C)(C)c1nsc(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000159813834 197366032 /nfs/dbraw/zinc/36/60/32/197366032.db2.gz KHJKESRRVJYIFN-UHFFFAOYSA-N 1 0 310.467 2.137 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159447915 197354620 /nfs/dbraw/zinc/35/46/20/197354620.db2.gz LJALSEIQRHEYBB-FGTMMUONSA-N 1 0 316.445 2.283 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000159379785 197349812 /nfs/dbraw/zinc/34/98/12/197349812.db2.gz GPQAWVIZWRHAAN-OAHLLOKOSA-N 1 0 321.469 2.171 20 70 DEIDRO CCc1c(C(=O)NC[C@H]2CCC[N@H+]2CC)cnn1CC(C)C ZINC000160332044 402340930 /nfs/dbraw/zinc/34/09/30/402340930.db2.gz FOXOGUZXTNWROD-CQSZACIVSA-N 1 0 306.454 2.316 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1coc2ccccc12 ZINC000160343808 402341381 /nfs/dbraw/zinc/34/13/81/402341381.db2.gz BXEANEXHTBKOOC-CYBMUJFWSA-N 1 0 302.374 2.009 20 70 DEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(C)c(OC)c3)CC2)C1 ZINC000160348904 402341924 /nfs/dbraw/zinc/34/19/24/402341924.db2.gz BUCQZEZXUREJJD-HNNXBMFYSA-N 1 0 316.445 2.493 20 70 DEIDRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000160389103 402343438 /nfs/dbraw/zinc/34/34/38/402343438.db2.gz MZSZLAGWUUXXFY-ZBFHGGJFSA-N 1 0 318.392 2.389 20 70 DEIDRO COC1(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)CC[NH2+]CC1 ZINC000161423445 402386957 /nfs/dbraw/zinc/38/69/57/402386957.db2.gz IYFJPGNIZVEHQS-ZBFHGGJFSA-N 1 0 302.418 2.160 20 70 DEIDRO C[NH+](C)CCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCC1 ZINC000160442224 402345873 /nfs/dbraw/zinc/34/58/73/402345873.db2.gz ABUXOTDJQOCOBV-WBVHZDCISA-N 1 0 323.481 2.460 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1 ZINC000160479443 402347340 /nfs/dbraw/zinc/34/73/40/402347340.db2.gz HVLGFACBYDTUPV-AWEZNQCLSA-N 1 0 324.428 2.103 20 70 DEIDRO O=C(C[NH2+][C@@H]1CCCOc2ccc(F)cc21)NCC(F)(F)F ZINC000160539957 402350118 /nfs/dbraw/zinc/35/01/18/402350118.db2.gz OPKNYAOBHDHIOU-LLVKDONJSA-N 1 0 320.286 2.308 20 70 DEIDRO COc1ccc([C@@H](C)CCNC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000160555067 402351284 /nfs/dbraw/zinc/35/12/84/402351284.db2.gz KJOPRCVOIXCEON-AWEZNQCLSA-N 1 0 320.433 2.074 20 70 DEIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160586566 402352521 /nfs/dbraw/zinc/35/25/21/402352521.db2.gz YZENRXCMZLLDKX-GHMZBOCLSA-N 1 0 318.339 2.455 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)oc1C ZINC000160746061 402359242 /nfs/dbraw/zinc/35/92/42/402359242.db2.gz XZOKPMKXZZOUDX-HZPDHXFCSA-N 1 0 320.433 2.394 20 70 DEIDRO COCC(=O)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160886206 402363974 /nfs/dbraw/zinc/36/39/74/402363974.db2.gz MDMMACKJJQXRJE-UHFFFAOYSA-N 1 0 314.788 2.206 20 70 DEIDRO CC(C)C[C@@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160962051 402367075 /nfs/dbraw/zinc/36/70/75/402367075.db2.gz MYKDFFFIJKBRBE-HOTGVXAUSA-N 1 0 313.486 2.203 20 70 DEIDRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CC3(C)C)c2)CC1 ZINC000161040466 402370168 /nfs/dbraw/zinc/37/01/68/402370168.db2.gz UXLQQWPIUPPMPL-INIZCTEOSA-N 1 0 301.434 2.419 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000161040515 402370259 /nfs/dbraw/zinc/37/02/59/402370259.db2.gz HSMWSTFUCIWIHP-WCQYABFASA-N 1 0 304.390 2.203 20 70 DEIDRO Cc1nnc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)n1C ZINC000161052173 402370755 /nfs/dbraw/zinc/37/07/55/402370755.db2.gz QSTFUGOEBWYNIQ-UHFFFAOYSA-N 1 0 301.438 2.124 20 70 DEIDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161153849 402375414 /nfs/dbraw/zinc/37/54/14/402375414.db2.gz HPAXYMFAVVMEFO-SUMWQHHRSA-N 1 0 314.433 2.458 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161183138 402376795 /nfs/dbraw/zinc/37/67/95/402376795.db2.gz UDWMSDVLHLQTHB-HZPDHXFCSA-N 1 0 321.465 2.386 20 70 DEIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000161469798 402388872 /nfs/dbraw/zinc/38/88/72/402388872.db2.gz SFALZMSMOAJHBX-ZMSDIMECSA-N 1 0 302.418 2.283 20 70 DEIDRO [NH3+]C1(CNC(=O)CSC[C@H]2CCCCO2)CCCCC1 ZINC000159681098 402328137 /nfs/dbraw/zinc/32/81/37/402328137.db2.gz XBJGTXFQRUESOL-CYBMUJFWSA-N 1 0 300.468 2.067 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159801736 402331246 /nfs/dbraw/zinc/33/12/46/402331246.db2.gz RRMJAIMETUBKJV-BXUZGUMPSA-N 1 0 308.426 2.036 20 70 DEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2ccccc2)C1 ZINC000161400504 402386612 /nfs/dbraw/zinc/38/66/12/402386612.db2.gz DQBYRVJAQMRWJR-GDBMZVCRSA-N 1 0 304.434 2.347 20 70 DEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000161502843 402389925 /nfs/dbraw/zinc/38/99/25/402389925.db2.gz LINPAUHBDMFGIK-LZWOXQAQSA-N 1 0 317.433 2.335 20 70 DEIDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc[nH]c1=O ZINC000161502916 402390023 /nfs/dbraw/zinc/39/00/23/402390023.db2.gz LYNLTDMGJIJUJE-UHFFFAOYSA-N 1 0 317.364 2.130 20 70 DEIDRO C[C@]1(c2ccccc2)CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000159646540 274654589 /nfs/dbraw/zinc/65/45/89/274654589.db2.gz OAYWAIQPXGCHLL-AZUAARDMSA-N 1 0 324.424 2.331 20 70 DEIDRO C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1COC2(CCCCC2)O1 ZINC000161034515 277721226 /nfs/dbraw/zinc/72/12/26/277721226.db2.gz RCQJAHBFIITFIE-HNNXBMFYSA-N 1 0 311.422 2.338 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000159366594 279431053 /nfs/dbraw/zinc/43/10/53/279431053.db2.gz QEZUMQIIBHPCGD-HOTGVXAUSA-N 1 0 321.469 2.348 20 70 DEIDRO CC(C)[NH+](CCNC(=O)N[C@@H](CCO)C(C)(C)C)C(C)C ZINC000161185774 519647312 /nfs/dbraw/zinc/64/73/12/519647312.db2.gz WYQNTGPMKUVZJX-AWEZNQCLSA-N 1 0 301.475 2.202 20 70 DEIDRO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160206752 519789179 /nfs/dbraw/zinc/78/91/79/519789179.db2.gz OADVHFWVMPCKQG-QZTJIDSGSA-N 1 0 318.461 2.389 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc(OCC)cc2)CC1 ZINC000161077740 519914410 /nfs/dbraw/zinc/91/44/10/519914410.db2.gz SQXDHTSVOZKNBH-UHFFFAOYSA-N 1 0 320.433 2.312 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCCOc2ccc(F)cc2)CC1 ZINC000159778944 521608677 /nfs/dbraw/zinc/60/86/77/521608677.db2.gz RRZMGOJQRWSYPE-UHFFFAOYSA-N 1 0 323.412 2.332 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)NOCc1cccnc1)c1cccs1 ZINC000160999225 522018834 /nfs/dbraw/zinc/01/88/34/522018834.db2.gz PGTGEZKRXFBJRW-ZDUSSCGKSA-N 1 0 320.418 2.177 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000161168246 522086569 /nfs/dbraw/zinc/08/65/69/522086569.db2.gz MBQOOMJLMRTPLC-CYBMUJFWSA-N 1 0 312.360 2.334 20 70 DEIDRO COc1cc(CCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1C ZINC000160321477 522333655 /nfs/dbraw/zinc/33/36/55/522333655.db2.gz GYOPYCONXILZFZ-SFHVURJKSA-N 1 0 324.424 2.377 20 70 DEIDRO CC[C@@H](CNC(=O)[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000161223636 522540534 /nfs/dbraw/zinc/54/05/34/522540534.db2.gz WNJXOOUEAIIRRS-WDEREUQCSA-N 1 0 313.239 2.481 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159386083 525784847 /nfs/dbraw/zinc/78/48/47/525784847.db2.gz JLYXDFXUWMKEBM-ZJUUUORDSA-N 1 0 320.311 2.225 20 70 DEIDRO Cc1cnccc1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000160843412 526225195 /nfs/dbraw/zinc/22/51/95/526225195.db2.gz MHHKGDZRQQDXAR-UHFFFAOYSA-N 1 0 304.438 2.106 20 70 DEIDRO Cc1cccc(OCCCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000159388357 282176655 /nfs/dbraw/zinc/17/66/55/282176655.db2.gz KQIHCBIUYGQWBJ-SFHVURJKSA-N 1 0 302.418 2.366 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CSc2ccc(F)c(F)c2)C1 ZINC000160926152 539588511 /nfs/dbraw/zinc/58/85/11/539588511.db2.gz JUSVAQAPDQJZIE-VHSXEESVSA-N 1 0 300.374 2.443 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000161112816 539589314 /nfs/dbraw/zinc/58/93/14/539589314.db2.gz VHGDUMCEVOTSGE-QWHCGFSZSA-N 1 0 302.353 2.216 20 70 DEIDRO COc1ccc(C[N@H+](CCCCS(C)(=O)=O)C2CC2)cc1 ZINC000161244136 539590321 /nfs/dbraw/zinc/59/03/21/539590321.db2.gz FABBQGDEYABVIF-UHFFFAOYSA-N 1 0 311.447 2.484 20 70 DEIDRO Cc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ncn1 ZINC000161457483 539591825 /nfs/dbraw/zinc/59/18/25/539591825.db2.gz HMFMUSPFSAFUHA-KRWDZBQOSA-N 1 0 310.401 2.352 20 70 DEIDRO [NH3+]C1(CNC(=O)c2cccc(NC(=O)C3CC3)c2)CCCCC1 ZINC000159612889 186130619 /nfs/dbraw/zinc/13/06/19/186130619.db2.gz VLTZKLRNNAQWHE-UHFFFAOYSA-N 1 0 315.417 2.427 20 70 DEIDRO C[S@](=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159650093 355962142 /nfs/dbraw/zinc/96/21/42/355962142.db2.gz GXSOZDYJUMBCKE-VCAMNPENSA-N 1 0 305.443 2.471 20 70 DEIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000160412295 284331714 /nfs/dbraw/zinc/33/17/14/284331714.db2.gz FTGPSRFRDBKYOS-NOLJZWGESA-N 1 0 313.401 2.431 20 70 DEIDRO COc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160545682 197421095 /nfs/dbraw/zinc/42/10/95/197421095.db2.gz TWSDYHGYYKNRRC-MRXNPFEDSA-N 1 0 304.434 2.474 20 70 DEIDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160295935 197398217 /nfs/dbraw/zinc/39/82/17/197398217.db2.gz BHJKOZXCIHRDBR-ZBEGNZNMSA-N 1 0 313.405 2.211 20 70 DEIDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)cnn1-c1ccccc1Cl ZINC000160235791 197394967 /nfs/dbraw/zinc/39/49/67/197394967.db2.gz ZDRDVYLGMWQFEY-LLVKDONJSA-N 1 0 304.781 2.007 20 70 DEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000160238425 197394796 /nfs/dbraw/zinc/39/47/96/197394796.db2.gz POEPUSJPUCVLLH-CYBMUJFWSA-N 1 0 301.814 2.232 20 70 DEIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000160240099 197394812 /nfs/dbraw/zinc/39/48/12/197394812.db2.gz SLHHPGUCWVSZFO-GJZGRUSLSA-N 1 0 306.406 2.086 20 70 DEIDRO C[C@H](NC(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000160004571 197379667 /nfs/dbraw/zinc/37/96/67/197379667.db2.gz HDHANFSBDZHNLU-NHYWBVRUSA-N 1 0 309.841 2.186 20 70 DEIDRO COc1cc(F)c([C@@H](C)NC(=O)C2CC[NH2+]CC2)cc1OC ZINC000159962713 197377138 /nfs/dbraw/zinc/37/71/38/197377138.db2.gz IMRNMWILAUPPRO-SNVBAGLBSA-N 1 0 310.369 2.020 20 70 DEIDRO C[C@H](CNC(=O)NCc1ncccc1F)C[NH+]1CCCCC1 ZINC000159686140 291657241 /nfs/dbraw/zinc/65/72/41/291657241.db2.gz NQPCVFLGDRMFLG-CYBMUJFWSA-N 1 0 308.401 2.142 20 70 DEIDRO CCOCCC1(CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000159770552 291658132 /nfs/dbraw/zinc/65/81/32/291658132.db2.gz DCOFMPNCWDOIOR-UHFFFAOYSA-N 1 0 311.470 2.224 20 70 DEIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262311 291664596 /nfs/dbraw/zinc/66/45/96/291664596.db2.gz JCULFYSCXLOXLU-GXTWGEPZSA-N 1 0 324.446 2.408 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)oc1C ZINC000160746208 291669075 /nfs/dbraw/zinc/66/90/75/291669075.db2.gz XZOKPMKXZZOUDX-JKSUJKDBSA-N 1 0 320.433 2.394 20 70 DEIDRO COC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)c1ccc(C)o1 ZINC000159374149 197348139 /nfs/dbraw/zinc/34/81/39/197348139.db2.gz SQFLDBWZQYPIFE-CQSZACIVSA-N 1 0 311.426 2.257 20 70 DEIDRO CC[C@H](Cc1ccccc1Br)C(=O)NCCC[NH3+] ZINC000160067460 197383187 /nfs/dbraw/zinc/38/31/87/197383187.db2.gz GNHBTNNZYWIWMB-LLVKDONJSA-N 1 0 313.239 2.483 20 70 DEIDRO CCC(=O)N(C)c1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159403531 402322793 /nfs/dbraw/zinc/32/27/93/402322793.db2.gz VSAVIDQMYJANIY-OKILXGFUSA-N 1 0 315.417 2.026 20 70 DEIDRO [NH3+]C1(CNC(=O)c2ncccc2OCC(F)F)CCCCC1 ZINC000159475735 402324030 /nfs/dbraw/zinc/32/40/30/402324030.db2.gz WJWHDKXVPBVITO-UHFFFAOYSA-N 1 0 313.348 2.117 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000217037292 402290693 /nfs/dbraw/zinc/29/06/93/402290693.db2.gz ODULNNCTYRTPKE-NVXWUHKLSA-N 1 0 324.513 2.423 20 70 DEIDRO COCCN(CCNCc1cscn1)C(=O)OC(C)(C)C ZINC000218143343 402294894 /nfs/dbraw/zinc/29/48/94/402294894.db2.gz IFNLDSMJCSBXIC-UHFFFAOYSA-N 1 0 315.439 2.116 20 70 DEIDRO Cc1cccc([C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160316526 402340607 /nfs/dbraw/zinc/34/06/07/402340607.db2.gz UDAVWOOIDAVEAG-NVXWUHKLSA-N 1 0 304.434 2.062 20 70 DEIDRO O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000160389229 402343572 /nfs/dbraw/zinc/34/35/72/402343572.db2.gz MZSZLAGWUUXXFY-HOCLYGCPSA-N 1 0 318.392 2.389 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@@H]1CCOC1 ZINC000160436052 402345317 /nfs/dbraw/zinc/34/53/17/402345317.db2.gz POQXHSCCTREMGC-MAUKXSAKSA-N 1 0 304.434 2.033 20 70 DEIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000160469223 402347014 /nfs/dbraw/zinc/34/70/14/402347014.db2.gz HFVSWJSDSNYRGN-UHFFFAOYSA-N 1 0 312.417 2.062 20 70 DEIDRO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1C ZINC000160515776 402348644 /nfs/dbraw/zinc/34/86/44/402348644.db2.gz NQMNYGRJPWSYCX-YGRLFVJLSA-N 1 0 302.426 2.085 20 70 DEIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000160580318 402352722 /nfs/dbraw/zinc/35/27/22/402352722.db2.gz FAKYATNPNOMUJP-MAUKXSAKSA-N 1 0 304.434 2.033 20 70 DEIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(OCc2nccn2C)cc1 ZINC000160607269 402353963 /nfs/dbraw/zinc/35/39/63/402353963.db2.gz SSMBFGIPBILXEG-ZDUSSCGKSA-N 1 0 303.406 2.421 20 70 DEIDRO CC(C)[C@H](CCO)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160728782 402358358 /nfs/dbraw/zinc/35/83/58/402358358.db2.gz XJWXIOCIUVSJSU-ROUUACIJSA-N 1 0 318.461 2.422 20 70 DEIDRO CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160728391 402358424 /nfs/dbraw/zinc/35/84/24/402358424.db2.gz XJWXIOCIUVSJSU-QZTJIDSGSA-N 1 0 318.461 2.422 20 70 DEIDRO C[C@@H]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000160735946 402358861 /nfs/dbraw/zinc/35/88/61/402358861.db2.gz RPNFVJLDNJPEGA-NVXWUHKLSA-N 1 0 308.466 2.384 20 70 DEIDRO CC[C@@H](CCO)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161016924 402369202 /nfs/dbraw/zinc/36/92/02/402369202.db2.gz OEEOTNLGMRRGSC-JKSUJKDBSA-N 1 0 313.486 2.205 20 70 DEIDRO CC1CC[NH+](CCCNC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000161468325 402388414 /nfs/dbraw/zinc/38/84/14/402388414.db2.gz OEJPFICDTUCIHY-OAHLLOKOSA-N 1 0 313.486 2.205 20 70 DEIDRO CS[C@H](C)CC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161117741 402373362 /nfs/dbraw/zinc/37/33/62/402373362.db2.gz NWFURXULPVMKDL-BARDWOONSA-N 1 0 314.495 2.228 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000161200241 402377332 /nfs/dbraw/zinc/37/73/32/402377332.db2.gz JFKOTITYVSOQCG-CQSZACIVSA-N 1 0 308.447 2.315 20 70 DEIDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](O)c2ccccc2)c1 ZINC000161318062 402382641 /nfs/dbraw/zinc/38/26/41/402382641.db2.gz RRVCQVMBRPOXFP-GOSISDBHSA-N 1 0 312.413 2.488 20 70 DEIDRO COCCOc1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1OC ZINC000161377238 402384997 /nfs/dbraw/zinc/38/49/97/402384997.db2.gz OASXXPCHAGQBLA-KRWDZBQOSA-N 1 0 322.405 2.049 20 70 DEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCCc1nc(C2CC2)no1 ZINC000159754227 402330259 /nfs/dbraw/zinc/33/02/59/402330259.db2.gz WVXSVKIICJRQOL-CYBMUJFWSA-N 1 0 320.437 2.260 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159801576 402331211 /nfs/dbraw/zinc/33/12/11/402331211.db2.gz RRMJAIMETUBKJV-SMDDNHRTSA-N 1 0 308.426 2.036 20 70 DEIDRO CCCCOC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161402736 402386443 /nfs/dbraw/zinc/38/64/43/402386443.db2.gz IFGUECBCQIYCGT-AWEZNQCLSA-N 1 0 320.437 2.137 20 70 DEIDRO Cc1nc2ccccn2c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000159860666 402332242 /nfs/dbraw/zinc/33/22/42/402332242.db2.gz OOLLYPPLGPFEBZ-UHFFFAOYSA-N 1 0 312.417 2.230 20 70 DEIDRO [NH3+]CCCNC(=O)c1ccccc1OCCOc1ccccc1 ZINC000160092862 402336123 /nfs/dbraw/zinc/33/61/23/402336123.db2.gz OZYKYHSSMDHSLO-UHFFFAOYSA-N 1 0 314.385 2.223 20 70 DEIDRO CCOc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160088385 402336142 /nfs/dbraw/zinc/33/61/42/402336142.db2.gz FGAWOJLOBDIBSO-QJBCGIKSSA-N 1 0 300.402 2.451 20 70 DEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccncc1C(N)=O ZINC000160218357 402338564 /nfs/dbraw/zinc/33/85/64/402338564.db2.gz FMYOOLAOJVBXSI-GUYCJALGSA-N 1 0 310.401 2.113 20 70 DEIDRO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H]3C[NH3+])c2)n1 ZINC000160210256 267453602 /nfs/dbraw/zinc/45/36/02/267453602.db2.gz FKRKIEICBJCZBV-QGZVFWFLSA-N 1 0 312.417 2.112 20 70 DEIDRO CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000218324072 268574150 /nfs/dbraw/zinc/57/41/50/268574150.db2.gz MKUOFEKOMSUCGM-UHFFFAOYSA-N 1 0 311.470 2.461 20 70 DEIDRO O=C(C[C@@H]1CCOc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159416356 274976922 /nfs/dbraw/zinc/97/69/22/274976922.db2.gz GAFFWJXHHZFRLJ-SOUVJXGZSA-N 1 0 300.402 2.296 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3nc(C)sc31)CC2 ZINC000160504937 279144130 /nfs/dbraw/zinc/14/41/30/279144130.db2.gz KIZXUJOPGICERG-YPMHNXCESA-N 1 0 303.435 2.333 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1nc2ccccc2s1 ZINC000160271583 295269577 /nfs/dbraw/zinc/26/95/77/295269577.db2.gz ABSASKTZUMVVNN-SNVBAGLBSA-N 1 0 307.444 2.338 20 70 DEIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000159665310 520833139 /nfs/dbraw/zinc/83/31/39/520833139.db2.gz WTOKBIIVXUGOHX-QGZVFWFLSA-N 1 0 319.449 2.459 20 70 DEIDRO COCCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159985732 523206959 /nfs/dbraw/zinc/20/69/59/523206959.db2.gz UIWUWCBNOKXPCP-NVXWUHKLSA-N 1 0 319.449 2.327 20 70 DEIDRO CC[C@H](C)[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160352494 524003890 /nfs/dbraw/zinc/00/38/90/524003890.db2.gz NCAACFOCJIXKLD-HOCLYGCPSA-N 1 0 322.449 2.465 20 70 DEIDRO C[C@@H]1OCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000159900962 525562692 /nfs/dbraw/zinc/56/26/92/525562692.db2.gz ZMBHFJICVKNSLW-KBPBESRZSA-N 1 0 305.422 2.067 20 70 DEIDRO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000159900840 525687521 /nfs/dbraw/zinc/68/75/21/525687521.db2.gz ZMBHFJICVKNSLW-KGLIPLIRSA-N 1 0 305.422 2.067 20 70 DEIDRO C[C@@]1(C(=O)NCCCCOc2ccc(F)cc2)CCC[NH2+]C1 ZINC000161316316 525798948 /nfs/dbraw/zinc/79/89/48/525798948.db2.gz LLVDVLDVMUTDOC-QGZVFWFLSA-N 1 0 308.397 2.491 20 70 DEIDRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 ZINC000160678373 526882472 /nfs/dbraw/zinc/88/24/72/526882472.db2.gz MMXGWXZIYXIBLR-CQSZACIVSA-N 1 0 322.380 2.322 20 70 DEIDRO COc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161324269 539591019 /nfs/dbraw/zinc/59/10/19/539591019.db2.gz HHKQPGLECGNOGO-UHFFFAOYSA-N 1 0 313.401 2.291 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCOCCc2ccccc2)C1 ZINC000161505860 539591991 /nfs/dbraw/zinc/59/19/91/539591991.db2.gz DBNYOEAIYQXAKB-SJORKVTESA-N 1 0 304.434 2.412 20 70 DEIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159647996 186133102 /nfs/dbraw/zinc/13/31/02/186133102.db2.gz MDLCDSVYQOAOSN-WCQYABFASA-N 1 0 314.476 2.141 20 70 DEIDRO CC[C@H](C(=O)NCCOc1ncc(Cl)cc1Cl)[NH+](C)C ZINC000160744586 355966736 /nfs/dbraw/zinc/96/67/36/355966736.db2.gz YEDASTOAXYKWSF-LLVKDONJSA-N 1 0 320.220 2.224 20 70 DEIDRO C[C@H]1C[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C ZINC000160660051 291147775 /nfs/dbraw/zinc/14/77/75/291147775.db2.gz XPGAHWZLCJSHRI-JQHSSLGASA-N 1 0 315.461 2.422 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccc(OC(F)F)cc1 ZINC000161309420 197483644 /nfs/dbraw/zinc/48/36/44/197483644.db2.gz VSNVQABIBNIULI-ZDUSSCGKSA-N 1 0 312.360 2.431 20 70 DEIDRO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1C ZINC000160515515 197417802 /nfs/dbraw/zinc/41/78/02/197417802.db2.gz NQMNYGRJPWSYCX-QMTHXVAHSA-N 1 0 302.426 2.085 20 70 DEIDRO CC(C)([NH3+])CNC(=O)CCOc1cccc(Br)c1 ZINC000159991499 197378762 /nfs/dbraw/zinc/37/87/62/197378762.db2.gz GMJJZRZSMKKCLZ-UHFFFAOYSA-N 1 0 315.211 2.072 20 70 DEIDRO C[C@H]1C[C@@H](NC(=O)N2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159845989 197368363 /nfs/dbraw/zinc/36/83/63/197368363.db2.gz XRYTVXDQYGRAOD-GOEBONIOSA-N 1 0 319.474 2.408 20 70 DEIDRO CCc1ccc(/C=C/C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000159549642 291656195 /nfs/dbraw/zinc/65/61/95/291656195.db2.gz YGFDSUJIDIYFAN-BQYQJAHWSA-N 1 0 302.378 2.252 20 70 DEIDRO [NH3+][C@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000159811612 197366572 /nfs/dbraw/zinc/36/65/72/197366572.db2.gz ADZLBQUNTWQAJY-LLVKDONJSA-N 1 0 303.284 2.444 20 70 DEIDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000159793953 197364250 /nfs/dbraw/zinc/36/42/50/197364250.db2.gz WTORTJBYAQAYKS-KBPBESRZSA-N 1 0 300.406 2.399 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000159779438 197363733 /nfs/dbraw/zinc/36/37/33/197363733.db2.gz XLEIJFMZRJGABV-UHFFFAOYSA-N 1 0 300.406 2.405 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000159503932 197358918 /nfs/dbraw/zinc/35/89/18/197358918.db2.gz SOCPQFFLTBOFMD-ZJUUUORDSA-N 1 0 315.211 2.089 20 70 DEIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159440947 197354561 /nfs/dbraw/zinc/35/45/61/197354561.db2.gz GZUGKIKAFBSIIV-CQSZACIVSA-N 1 0 310.405 2.325 20 70 DEIDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cnn1CC(C)C ZINC000159422731 197352225 /nfs/dbraw/zinc/35/22/25/197352225.db2.gz PFNONTKQJQCRBK-AWEZNQCLSA-N 1 0 306.454 2.309 20 70 DEIDRO O=C(C[NH2+]CC1CC1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159422188 197352029 /nfs/dbraw/zinc/35/20/29/197352029.db2.gz ZEMOEHVLNKCMQO-DLBZAZTESA-N 1 0 318.417 2.307 20 70 DEIDRO CCc1cccc2c(CCNC(=O)[C@@H]([NH3+])CCSC)c[nH]c21 ZINC000159373810 197348619 /nfs/dbraw/zinc/34/86/19/197348619.db2.gz JKSBPRJPEVWDJP-HNNXBMFYSA-N 1 0 319.474 2.469 20 70 DEIDRO CN(CC1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000159570147 402325686 /nfs/dbraw/zinc/32/56/86/402325686.db2.gz DIJGUNFIQLLGMM-QGZVFWFLSA-N 1 0 323.481 2.319 20 70 DEIDRO Cc1ccc(N2CC[C@H](N3CC[C@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000160338408 402341711 /nfs/dbraw/zinc/34/17/11/402341711.db2.gz AWEYKVWTBNUMDG-ROUUACIJSA-N 1 0 313.445 2.270 20 70 DEIDRO CCOC(=O)C1(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CCC1 ZINC000160416722 402344925 /nfs/dbraw/zinc/34/49/25/402344925.db2.gz FIMOXUORSPEBPB-YOEHRIQHSA-N 1 0 324.465 2.347 20 70 DEIDRO C[NH+](C)CCN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CCCC1 ZINC000160442583 402345938 /nfs/dbraw/zinc/34/59/38/402345938.db2.gz ABUXOTDJQOCOBV-DOTOQJQBSA-N 1 0 323.481 2.460 20 70 DEIDRO CCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1C ZINC000160502680 402348119 /nfs/dbraw/zinc/34/81/19/402348119.db2.gz WZZAIFSIKFODFB-AWEZNQCLSA-N 1 0 310.463 2.196 20 70 DEIDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cccnc1 ZINC000160560532 402351189 /nfs/dbraw/zinc/35/11/89/402351189.db2.gz MNRIMVYDTTUDAT-GFCCVEGCSA-N 1 0 308.378 2.345 20 70 DEIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160586938 402352641 /nfs/dbraw/zinc/35/26/41/402352641.db2.gz YZENRXCMZLLDKX-QWRGUYRKSA-N 1 0 318.339 2.455 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3cccc(OC)c3)CCCC2)C1 ZINC000160582998 402352671 /nfs/dbraw/zinc/35/26/71/402352671.db2.gz WYSSJPWGJPVHJW-OAHLLOKOSA-N 1 0 302.418 2.327 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CCOCC1 ZINC000160636606 402354742 /nfs/dbraw/zinc/35/47/42/402354742.db2.gz VLTDMHWZOMBGIT-MRXNPFEDSA-N 1 0 318.461 2.424 20 70 DEIDRO CC(C)n1ccnc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000160674032 402356718 /nfs/dbraw/zinc/35/67/18/402356718.db2.gz PQZVOHQURWQTIG-UHFFFAOYSA-N 1 0 300.406 2.492 20 70 DEIDRO CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160701827 402357404 /nfs/dbraw/zinc/35/74/04/402357404.db2.gz DJCLZAQWBCAIQU-SJORKVTESA-N 1 0 304.434 2.174 20 70 DEIDRO CCCCCN(CCO)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160794671 402360881 /nfs/dbraw/zinc/36/08/81/402360881.db2.gz GMVOWLDRKSITRP-HNNXBMFYSA-N 1 0 311.470 2.197 20 70 DEIDRO CCN(CC(C)(C)O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160910036 402365232 /nfs/dbraw/zinc/36/52/32/402365232.db2.gz FLXOJWUCNNEJGS-OAHLLOKOSA-N 1 0 313.486 2.299 20 70 DEIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160983513 402368093 /nfs/dbraw/zinc/36/80/93/402368093.db2.gz KFLDVGFITPQJQI-CQSZACIVSA-N 1 0 300.406 2.107 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000161101263 402372567 /nfs/dbraw/zinc/37/25/67/402372567.db2.gz MLKVJNIMJBVPCJ-LLVKDONJSA-N 1 0 312.845 2.098 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC(=O)OC)cc1C ZINC000161188989 402376319 /nfs/dbraw/zinc/37/63/19/402376319.db2.gz AGBLYDSWKQSNMS-UHFFFAOYSA-N 1 0 322.405 2.250 20 70 DEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc3[nH]cnc32)C1 ZINC000161313226 402381934 /nfs/dbraw/zinc/38/19/34/402381934.db2.gz BLKDINOYJZIKJN-YGRLFVJLSA-N 1 0 304.369 2.161 20 70 DEIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(Cl)n(C)nc2C(C)C)C1 ZINC000161320885 402382654 /nfs/dbraw/zinc/38/26/54/402382654.db2.gz GSQIAILYXOQNCT-LLVKDONJSA-N 1 0 312.845 2.269 20 70 DEIDRO C[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccc(F)c1 ZINC000161486742 402389042 /nfs/dbraw/zinc/38/90/42/402389042.db2.gz MHUPYMONMCGRNY-MJEQTWJJSA-N 1 0 306.381 2.114 20 70 DEIDRO CCOCCC1(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000159659796 402327757 /nfs/dbraw/zinc/32/77/57/402327757.db2.gz FTHWNIFOVWBKNI-OAHLLOKOSA-N 1 0 311.470 2.224 20 70 DEIDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(C)CC1 ZINC000161414247 402386461 /nfs/dbraw/zinc/38/64/61/402386461.db2.gz SIOPBOOXPLQSDK-LLVKDONJSA-N 1 0 310.829 2.136 20 70 DEIDRO COCCOc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1 ZINC000160123616 402336586 /nfs/dbraw/zinc/33/65/86/402336586.db2.gz TUXMJAGIFZQLQF-CYBMUJFWSA-N 1 0 315.373 2.109 20 70 DEIDRO Cc1nc([C@@H](NC(=O)CC[NH2+]C(C)C)c2ccccc2F)no1 ZINC000160138492 402337027 /nfs/dbraw/zinc/33/70/27/402337027.db2.gz GFWULNIOGFPTFN-HNNXBMFYSA-N 1 0 320.368 2.111 20 70 DEIDRO CSC[C@H](CCO)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000160219290 402338896 /nfs/dbraw/zinc/33/88/96/402338896.db2.gz ZGMFDVPQFXOKGG-SFHVURJKSA-N 1 0 322.518 2.397 20 70 DEIDRO O=C([C@H]1CCC[NH2+]C1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161083692 280132606 /nfs/dbraw/zinc/13/26/06/280132606.db2.gz MGJQWAIEFUXTJJ-QMMMGPOBSA-N 1 0 318.261 2.329 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCCCNc2ccccn2)CC1 ZINC000161423223 519644940 /nfs/dbraw/zinc/64/49/40/519644940.db2.gz KTQBTZZEMZYJEZ-UHFFFAOYSA-N 1 0 304.438 2.311 20 70 DEIDRO CCOCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159957308 519902885 /nfs/dbraw/zinc/90/28/85/519902885.db2.gz ACBSXNFOWNYYDS-DOTOQJQBSA-N 1 0 319.449 2.185 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2F)CC1 ZINC000159920877 521608581 /nfs/dbraw/zinc/60/85/81/521608581.db2.gz CZHCFVKUTZDUDK-AWEZNQCLSA-N 1 0 323.412 2.330 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2cccc(OC)c2)CC1 ZINC000159806944 521608841 /nfs/dbraw/zinc/60/88/41/521608841.db2.gz IDMNNLDUNNXHPU-UHFFFAOYSA-N 1 0 319.449 2.365 20 70 DEIDRO COc1cc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000160319044 521930015 /nfs/dbraw/zinc/93/00/15/521930015.db2.gz MKFDCAOZWPBCRN-JRIJJQDJSA-N 1 0 316.401 2.070 20 70 DEIDRO COc1cc(C)cc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159997983 522238444 /nfs/dbraw/zinc/23/84/44/522238444.db2.gz FFYRFSPSARQTKT-ZFWWWQNUSA-N 1 0 317.433 2.428 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000160827233 522981908 /nfs/dbraw/zinc/98/19/08/522981908.db2.gz WXPPSKLXVGQISJ-QGZVFWFLSA-N 1 0 321.465 2.489 20 70 DEIDRO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000161485998 523584842 /nfs/dbraw/zinc/58/48/42/523584842.db2.gz HIHVCLOWWLQVBV-KBPBESRZSA-N 1 0 310.463 2.245 20 70 DEIDRO C[C@@H](CNC(=O)CC/C=C/c1ccccc1)N1CC[NH+](C)CC1 ZINC000160151299 524645581 /nfs/dbraw/zinc/64/55/81/524645581.db2.gz WMMIRQFGTBUONE-BHMZLHOFSA-N 1 0 315.461 2.232 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 ZINC000160678239 526882569 /nfs/dbraw/zinc/88/25/69/526882569.db2.gz MMXGWXZIYXIBLR-AWEZNQCLSA-N 1 0 322.380 2.322 20 70 DEIDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190846 527309691 /nfs/dbraw/zinc/30/96/91/527309691.db2.gz STCDLFNHRWUVJJ-GXTWGEPZSA-N 1 0 312.417 2.449 20 70 DEIDRO c1cn(-c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)cn1 ZINC000159577708 186128210 /nfs/dbraw/zinc/12/82/10/186128210.db2.gz LJVNPDJSZOVYRI-XIRDDKMYSA-N 1 0 310.401 2.315 20 70 DEIDRO Cc1noc(Cl)c1CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000161405642 291674657 /nfs/dbraw/zinc/67/46/57/291674657.db2.gz QDOAYZUZCLZBDN-NSHDSACASA-N 1 0 313.829 2.416 20 70 DEIDRO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000159938959 355962706 /nfs/dbraw/zinc/96/27/06/355962706.db2.gz DBTMWZSHLZRFBR-NVXWUHKLSA-N 1 0 319.449 2.436 20 70 DEIDRO Cn1ccnc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000160752813 355966913 /nfs/dbraw/zinc/96/69/13/355966913.db2.gz KGIYMEPPTFDANI-UHFFFAOYSA-N 1 0 324.428 2.477 20 70 DEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000160741642 355966928 /nfs/dbraw/zinc/96/69/28/355966928.db2.gz HGOCJZAOKDJCHB-ZBFHGGJFSA-N 1 0 302.422 2.346 20 70 DEIDRO Clc1cc(N2CC[NH+](C3CCOCC3)CC2)nc(C2CC2)n1 ZINC000160307285 197398788 /nfs/dbraw/zinc/39/87/88/197398788.db2.gz YJCDKUXKDYPZFK-UHFFFAOYSA-N 1 0 322.840 2.308 20 70 DEIDRO COC(C)(C)C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000160263293 197396996 /nfs/dbraw/zinc/39/69/96/197396996.db2.gz GZEVNVKRHKTJNK-AWEZNQCLSA-N 1 0 301.814 2.232 20 70 DEIDRO Cc1[nH]c(=O)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000160227712 197393745 /nfs/dbraw/zinc/39/37/45/197393745.db2.gz XTZCRWSJIRMMLD-UHFFFAOYSA-N 1 0 315.373 2.288 20 70 DEIDRO CCCn1nc(C)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1C ZINC000160145238 197388679 /nfs/dbraw/zinc/38/86/79/197388679.db2.gz PWBIYOKGANDONH-HNNXBMFYSA-N 1 0 323.404 2.356 20 70 DEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)C ZINC000160000578 197379172 /nfs/dbraw/zinc/37/91/72/197379172.db2.gz BNQVOGVXGHZUFE-OAHLLOKOSA-N 1 0 318.465 2.097 20 70 DEIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000159964302 197376956 /nfs/dbraw/zinc/37/69/56/197376956.db2.gz RGKVKCKZIWRSCA-GHMZBOCLSA-N 1 0 310.369 2.020 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000159944528 197376160 /nfs/dbraw/zinc/37/61/60/197376160.db2.gz GAEGKFSTCQWMCI-SNVBAGLBSA-N 1 0 323.245 2.351 20 70 DEIDRO CCN(CCC[NH2+]Cc1coc2ccccc12)S(C)(=O)=O ZINC000159820794 197367158 /nfs/dbraw/zinc/36/71/58/197367158.db2.gz BMCFURZTCFKUOK-UHFFFAOYSA-N 1 0 310.419 2.194 20 70 DEIDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160642120 291668929 /nfs/dbraw/zinc/66/89/29/291668929.db2.gz ADYCQMRKGBHHCF-JQHSSLGASA-N 1 0 318.461 2.265 20 70 DEIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000159513474 197359355 /nfs/dbraw/zinc/35/93/55/197359355.db2.gz FLDJLUXUHNNYNZ-KCXAZCMYSA-N 1 0 311.447 2.434 20 70 DEIDRO O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000159420979 197352701 /nfs/dbraw/zinc/35/27/01/197352701.db2.gz XGDNSKQKDFBURG-BBWFWOEESA-N 1 0 318.417 2.450 20 70 DEIDRO CCOc1c(Cl)cc(CN2CCC[C@H]2C(N)=O)cc1OC ZINC000160316105 402340668 /nfs/dbraw/zinc/34/06/68/402340668.db2.gz YPGUSNZIOKZQRE-LBPRGKRZSA-N 1 0 312.797 2.197 20 70 DEIDRO CCO[C@H](C)c1nc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000160390025 402343337 /nfs/dbraw/zinc/34/33/37/402343337.db2.gz XGSXJAPYISDOHR-UPJWGTAASA-N 1 0 323.462 2.136 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000160545808 402350738 /nfs/dbraw/zinc/35/07/38/402350738.db2.gz NIVYVSZJJSWJRJ-AWEZNQCLSA-N 1 0 320.433 2.492 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000160580425 402352791 /nfs/dbraw/zinc/35/27/91/402352791.db2.gz FAKYATNPNOMUJP-CRAIPNDOSA-N 1 0 304.434 2.033 20 70 DEIDRO CN(C)c1cccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000160613634 402353785 /nfs/dbraw/zinc/35/37/85/402353785.db2.gz RUWSVQDGEYSNMS-MRXNPFEDSA-N 1 0 321.490 2.148 20 70 DEIDRO COC(=O)c1csc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000160646511 402354813 /nfs/dbraw/zinc/35/48/13/402354813.db2.gz YATAALKQQQJSKD-GFCCVEGCSA-N 1 0 321.402 2.013 20 70 DEIDRO CCC(CC)c1cc(C(=O)NCC2CC[NH+](CCO)CC2)on1 ZINC000160707356 402357847 /nfs/dbraw/zinc/35/78/47/402357847.db2.gz GSMMYGBIAQAWKN-UHFFFAOYSA-N 1 0 323.437 2.012 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccnc2SC(F)(F)F)C1 ZINC000160711492 402357885 /nfs/dbraw/zinc/35/78/85/402357885.db2.gz MYYKNGNZQAIKDV-QMMMGPOBSA-N 1 0 305.325 2.127 20 70 DEIDRO COc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000160750537 402358876 /nfs/dbraw/zinc/35/88/76/402358876.db2.gz DLIDKXJDNZEUGQ-LUVVUQNESA-N 1 0 316.401 2.070 20 70 DEIDRO CCNC(=O)N1CCc2ccc(NC(=O)[C@H]([NH3+])[C@H](C)CC)cc21 ZINC000160774868 402360065 /nfs/dbraw/zinc/36/00/65/402360065.db2.gz CAFVNHAVMCJFNQ-IAQYHMDHSA-N 1 0 318.421 2.091 20 70 DEIDRO O=C(C[C@H]1COC(=O)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160796108 402360762 /nfs/dbraw/zinc/36/07/62/402360762.db2.gz WBMKFKLTMOHZSC-MRXNPFEDSA-N 1 0 322.449 2.054 20 70 DEIDRO COCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160809190 402361271 /nfs/dbraw/zinc/36/12/71/402361271.db2.gz UCWAJELQTUFCET-HNNXBMFYSA-N 1 0 309.454 2.071 20 70 DEIDRO COC(C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831958 402361976 /nfs/dbraw/zinc/36/19/76/402361976.db2.gz UMQIMQFLDWGXJR-CHWSQXEVSA-N 1 0 316.442 2.373 20 70 DEIDRO CC(C)C[C@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160962403 402367253 /nfs/dbraw/zinc/36/72/53/402367253.db2.gz MYKDFFFIJKBRBE-HZPDHXFCSA-N 1 0 313.486 2.203 20 70 DEIDRO O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@H]1CCC[NH2+]1 ZINC000161038926 402370277 /nfs/dbraw/zinc/37/02/77/402370277.db2.gz KULVMFHWICRISP-PMPSAXMXSA-N 1 0 304.390 2.059 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000161060254 402371079 /nfs/dbraw/zinc/37/10/79/402371079.db2.gz JZMWGNBGOOIMTR-UHFFFAOYSA-N 1 0 303.406 2.107 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000161079034 402371931 /nfs/dbraw/zinc/37/19/31/402371931.db2.gz WZKAMSYOAMTFJK-CVEARBPZSA-N 1 0 318.465 2.216 20 70 DEIDRO Cc1cccc(O[C@@H](C)CNC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000161165215 402376169 /nfs/dbraw/zinc/37/61/69/402376169.db2.gz UWQRAJDVWJREPR-HNNXBMFYSA-N 1 0 324.424 2.375 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000161248879 402379521 /nfs/dbraw/zinc/37/95/21/402379521.db2.gz BUGWJCOZNFYQBS-HNNXBMFYSA-N 1 0 323.481 2.049 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N1CCCN(c2ccccc2)CC1 ZINC000161273840 402380063 /nfs/dbraw/zinc/38/00/63/402380063.db2.gz SHFWWFWDRLQVJJ-UHFFFAOYSA-N 1 0 303.450 2.490 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000161307947 402381931 /nfs/dbraw/zinc/38/19/31/402381931.db2.gz PRURYQYNRSFGLY-OAHLLOKOSA-N 1 0 303.406 2.105 20 70 DEIDRO C[C@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CCC[NH2+]C1 ZINC000161331773 402383390 /nfs/dbraw/zinc/38/33/90/402383390.db2.gz VUNTXZNRMULNQZ-OCCSQVGLSA-N 1 0 320.437 2.268 20 70 DEIDRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c[nH]c1=O ZINC000159675298 402328270 /nfs/dbraw/zinc/32/82/70/402328270.db2.gz RROMXCLPMPEOBL-ZDUSSCGKSA-N 1 0 303.406 2.276 20 70 DEIDRO Cc1cnccc1CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161400887 402386230 /nfs/dbraw/zinc/38/62/30/402386230.db2.gz SCGAQZDRGVENAT-INIZCTEOSA-N 1 0 316.449 2.249 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000159921342 402333395 /nfs/dbraw/zinc/33/33/95/402333395.db2.gz PEKJBHHMERQJQP-AWEZNQCLSA-N 1 0 323.412 2.330 20 70 DEIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160101783 402336352 /nfs/dbraw/zinc/33/63/52/402336352.db2.gz QDGXVLNOCSBKOB-GDBMZVCRSA-N 1 0 318.417 2.109 20 70 DEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160146820 402336718 /nfs/dbraw/zinc/33/67/18/402336718.db2.gz MTYGCJDLGULPBA-KGLIPLIRSA-N 1 0 312.479 2.471 20 70 DEIDRO CCCN(CCO)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160214039 402337984 /nfs/dbraw/zinc/33/79/84/402337984.db2.gz UZCZFCUOGVYKCR-RDJZCZTQSA-N 1 0 319.449 2.063 20 70 DEIDRO COc1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1Cl ZINC000161492246 402389436 /nfs/dbraw/zinc/38/94/36/402389436.db2.gz AOXRDLMYPXZJHI-PKIAMQTDSA-N 1 0 308.809 2.338 20 70 DEIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCOC1 ZINC000160202434 267454553 /nfs/dbraw/zinc/45/45/53/267454553.db2.gz HUSKGZVCFXMTBH-GZBFAFLISA-N 1 0 306.381 2.336 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000161504408 277025411 /nfs/dbraw/zinc/02/54/11/277025411.db2.gz OUFREYGDJBFMDI-OTBWCIGPSA-N 1 0 323.481 2.107 20 70 DEIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1C ZINC000160453241 277147740 /nfs/dbraw/zinc/14/77/40/277147740.db2.gz SDOCUGAJTWBLQI-CYBMUJFWSA-N 1 0 323.437 2.124 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cnc(CC)nc2)CC1 ZINC000161192009 519843654 /nfs/dbraw/zinc/84/36/54/519843654.db2.gz VMBRGHJSEKLYMU-UHFFFAOYSA-N 1 0 305.426 2.377 20 70 DEIDRO CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160377952 521561395 /nfs/dbraw/zinc/56/13/95/521561395.db2.gz GLUAKNMSODLOFC-CQSZACIVSA-N 1 0 306.406 2.194 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2ccc(OC)cc2)CC1 ZINC000159726389 521608509 /nfs/dbraw/zinc/60/85/09/521608509.db2.gz DHUJVHFNABWTNQ-UHFFFAOYSA-N 1 0 319.449 2.365 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000159732541 521610212 /nfs/dbraw/zinc/61/02/12/521610212.db2.gz APLFDEJJHMKJQJ-INIZCTEOSA-N 1 0 319.449 2.500 20 70 DEIDRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160354557 522053557 /nfs/dbraw/zinc/05/35/57/522053557.db2.gz PKJRSORSLDBBBZ-GDBMZVCRSA-N 1 0 319.405 2.022 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000161188013 522087514 /nfs/dbraw/zinc/08/75/14/522087514.db2.gz OXVBTUKESIOBSX-NVXWUHKLSA-N 1 0 318.417 2.068 20 70 DEIDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@H]1CCOC1 ZINC000160487098 522654626 /nfs/dbraw/zinc/65/46/26/522654626.db2.gz OXUJYXDAYRIJPW-OALUTQOASA-N 1 0 318.461 2.424 20 70 DEIDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160586916 522934638 /nfs/dbraw/zinc/93/46/38/522934638.db2.gz KCRIDHLGJDQMER-ZACQAIPSSA-N 1 0 323.481 2.460 20 70 DEIDRO CCc1ccc(C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000160868308 523900952 /nfs/dbraw/zinc/90/09/52/523900952.db2.gz HNNXYUPVIOYCFX-QGZVFWFLSA-N 1 0 318.461 2.411 20 70 DEIDRO CCc1ccc([C@H](CNC(=O)NCC[C@H](O)CC)[NH+](C)C)cc1 ZINC000160745069 524048916 /nfs/dbraw/zinc/04/89/16/524048916.db2.gz ZXWJBPSPPOWXJJ-SJORKVTESA-N 1 0 321.465 2.312 20 70 DEIDRO C[C@@H](Oc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159868083 525948602 /nfs/dbraw/zinc/94/86/02/525948602.db2.gz AWXPZCJCVMVIMW-CQSZACIVSA-N 1 0 302.418 2.445 20 70 DEIDRO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)C[C@H](O)C3CC3)C2=O)c1 ZINC000160752288 539587310 /nfs/dbraw/zinc/58/73/10/539587310.db2.gz FKQMRWMJAOBUMJ-WBVHZDCISA-N 1 0 320.408 2.332 20 70 DEIDRO CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cnc21 ZINC000160764369 539587733 /nfs/dbraw/zinc/58/77/33/539587733.db2.gz JBFMCFYITGQMAW-LSDHHAIUSA-N 1 0 315.421 2.087 20 70 DEIDRO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160767154 539587852 /nfs/dbraw/zinc/58/78/52/539587852.db2.gz DZGLJYFBYJNCPZ-RISCZKNCSA-N 1 0 308.447 2.438 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000161125224 539589586 /nfs/dbraw/zinc/58/95/86/539589586.db2.gz OEIWXZARQSWWRQ-NWDGAFQWSA-N 1 0 324.808 2.040 20 70 DEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000160059399 539584619 /nfs/dbraw/zinc/58/46/19/539584619.db2.gz JAXFMECMVWSURO-KBPBESRZSA-N 1 0 302.426 2.043 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000159572198 186127906 /nfs/dbraw/zinc/12/79/06/186127906.db2.gz CHVQJHQHWXODNC-UHFFFAOYSA-N 1 0 301.434 2.455 20 70 DEIDRO [NH3+]C1(CNC(=O)Cc2ccc(-n3cccn3)cc2)CCCCC1 ZINC000159622473 186131485 /nfs/dbraw/zinc/13/14/85/186131485.db2.gz ROIKUAFEBYUAGW-UHFFFAOYSA-N 1 0 312.417 2.193 20 70 DEIDRO C[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159653245 186133149 /nfs/dbraw/zinc/13/31/49/186133149.db2.gz WBTTZYXPDCCOLA-IUCAKERBSA-N 1 0 317.252 2.393 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c(F)cccc2F)CC1 ZINC000159704158 186136159 /nfs/dbraw/zinc/13/61/59/186136159.db2.gz LIURGWVGCVIKBJ-UHFFFAOYSA-N 1 0 311.376 2.245 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746608 186139221 /nfs/dbraw/zinc/13/92/21/186139221.db2.gz GGOJZYNJVUGMCF-GXTWGEPZSA-N 1 0 323.824 2.031 20 70 DEIDRO O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]C1 ZINC000160938080 197451645 /nfs/dbraw/zinc/45/16/45/197451645.db2.gz HOFKUCIRWOAWNJ-NSHDSACASA-N 1 0 320.780 2.006 20 70 DEIDRO CC(C)C[C@H](NC(=O)c1ccc(C[NH3+])cc1)C(=O)OC(C)C ZINC000160147069 197388519 /nfs/dbraw/zinc/38/85/19/197388519.db2.gz QXOIFQWCIINEBB-HNNXBMFYSA-N 1 0 306.406 2.241 20 70 DEIDRO C[C@@H](CNC(=O)[C@H](O)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000160094282 197385169 /nfs/dbraw/zinc/38/51/69/197385169.db2.gz RXGHIIVZZSRESI-SWLSCSKDSA-N 1 0 310.825 2.222 20 70 DEIDRO CCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160008197 197379632 /nfs/dbraw/zinc/37/96/32/197379632.db2.gz HYJWYFOIFPWSPV-GDBMZVCRSA-N 1 0 310.463 2.321 20 70 DEIDRO CCOc1c(Cl)cc(/C=C/C(=O)NCCC[NH3+])cc1OC ZINC000159996915 197379136 /nfs/dbraw/zinc/37/91/36/197379136.db2.gz OVOWWMJXXXPFPM-AATRIKPKSA-N 1 0 312.797 2.226 20 70 DEIDRO CCc1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccc(F)cc1 ZINC000159992047 197378504 /nfs/dbraw/zinc/37/85/04/197378504.db2.gz GXNCCYPBSNEZPK-UHFFFAOYSA-N 1 0 304.369 2.041 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159959832 197376986 /nfs/dbraw/zinc/37/69/86/197376986.db2.gz AKDLMHNIUFLTCY-LBPRGKRZSA-N 1 0 310.442 2.426 20 70 DEIDRO CC[C@@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)[NH+](C)C ZINC000159957243 197376354 /nfs/dbraw/zinc/37/63/54/197376354.db2.gz CZESAZHPAGGCKU-KRWDZBQOSA-N 1 0 303.450 2.454 20 70 DEIDRO C[C@@H]1C[C@H](NC(=O)Nc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000159881493 197371132 /nfs/dbraw/zinc/37/11/32/197371132.db2.gz MUJMPNLPHSIWPM-HIFRSBDPSA-N 1 0 313.405 2.205 20 70 DEIDRO COc1ccc2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000159380009 291653947 /nfs/dbraw/zinc/65/39/47/291653947.db2.gz CAVSEFQXIPZWOC-OKILXGFUSA-N 1 0 311.385 2.210 20 70 DEIDRO Fc1ccc(CN2CCC[N@H+](CCn3ccnc3)CC2)cc1 ZINC000159709931 197361322 /nfs/dbraw/zinc/36/13/22/197361322.db2.gz KXLMNTHKXCZCBA-UHFFFAOYSA-N 1 0 302.397 2.230 20 70 DEIDRO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159436374 197353422 /nfs/dbraw/zinc/35/34/22/197353422.db2.gz SKDBETUWUBAYGI-CYBMUJFWSA-N 1 0 316.492 2.350 20 70 DEIDRO Cc1c(/C=C/C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000159484864 402324505 /nfs/dbraw/zinc/32/45/05/402324505.db2.gz GTSMTOKFPGEJOK-JRIJJQDJSA-N 1 0 318.465 2.226 20 70 DEIDRO CC(C)[NH+](CCNC(=O)c1cccc(-n2ccnn2)c1)C(C)C ZINC000160360596 402341993 /nfs/dbraw/zinc/34/19/93/402341993.db2.gz ZWRBILAFGAMGRW-UHFFFAOYSA-N 1 0 315.421 2.116 20 70 DEIDRO CC(C)OCCC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351590 402342222 /nfs/dbraw/zinc/34/22/22/402342222.db2.gz RDEOPOHSOZCWSC-CYBMUJFWSA-N 1 0 314.451 2.142 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000160462597 402346373 /nfs/dbraw/zinc/34/63/73/402346373.db2.gz LDTPBSAFSUPPAN-GOSISDBHSA-N 1 0 312.413 2.416 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000160490324 402347331 /nfs/dbraw/zinc/34/73/31/402347331.db2.gz MEEXAMFSBUOORW-OAHLLOKOSA-N 1 0 304.390 2.263 20 70 DEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000160530422 402349384 /nfs/dbraw/zinc/34/93/84/402349384.db2.gz GNJLUQRMZOORQO-UWVGGRQHSA-N 1 0 311.348 2.131 20 70 DEIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160541153 402350107 /nfs/dbraw/zinc/35/01/07/402350107.db2.gz QHKNRMZRHJJHDV-GFCCVEGCSA-N 1 0 316.323 2.477 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000160557704 402351110 /nfs/dbraw/zinc/35/11/10/402351110.db2.gz MEKHUJZRROPAPV-UHFFFAOYSA-N 1 0 306.454 2.405 20 70 DEIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000160644380 402355000 /nfs/dbraw/zinc/35/50/00/402355000.db2.gz BNPVMAGOXZQBQQ-AEFFLSMTSA-N 1 0 303.450 2.187 20 70 DEIDRO CCC[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160720674 402358400 /nfs/dbraw/zinc/35/84/00/402358400.db2.gz NUUZPJYMMKVRPE-GOSISDBHSA-N 1 0 318.461 2.391 20 70 DEIDRO CC(C)n1ccnc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000160731603 402358415 /nfs/dbraw/zinc/35/84/15/402358415.db2.gz YTDVAQWPZBOBFJ-UHFFFAOYSA-N 1 0 304.438 2.298 20 70 DEIDRO CCC[NH+]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160787939 402361025 /nfs/dbraw/zinc/36/10/25/402361025.db2.gz FEPVFPDWGATDCC-UHFFFAOYSA-N 1 0 311.407 2.094 20 70 DEIDRO O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]C1 ZINC000160937954 402366749 /nfs/dbraw/zinc/36/67/49/402366749.db2.gz HOFKUCIRWOAWNJ-LLVKDONJSA-N 1 0 320.780 2.006 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cnn(C(C)(C)C)c2C)CC1 ZINC000160998241 402368799 /nfs/dbraw/zinc/36/87/99/402368799.db2.gz QKXBRXWBRRLFRM-UHFFFAOYSA-N 1 0 306.454 2.408 20 70 DEIDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111550 402373383 /nfs/dbraw/zinc/37/33/83/402373383.db2.gz QYIAIFVQBHWEIR-BXUZGUMPSA-N 1 0 307.825 2.493 20 70 DEIDRO CC(C)(C)[C@H](CCO)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000161128779 402374099 /nfs/dbraw/zinc/37/40/99/402374099.db2.gz PNQCVPBYVYCDIF-ZDUSSCGKSA-N 1 0 313.486 2.392 20 70 DEIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cnn(C)c1 ZINC000161154793 402375325 /nfs/dbraw/zinc/37/53/25/402375325.db2.gz UMSHUONJKNOAQV-ZDUSSCGKSA-N 1 0 302.426 2.021 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000161179624 402376724 /nfs/dbraw/zinc/37/67/24/402376724.db2.gz MDOMHOUCJMOEIU-HNNXBMFYSA-N 1 0 311.389 2.044 20 70 DEIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1 ZINC000161212419 402377403 /nfs/dbraw/zinc/37/74/03/402377403.db2.gz IDVCZXLZYALJEI-YOEHRIQHSA-N 1 0 323.437 2.219 20 70 DEIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000161231817 402378259 /nfs/dbraw/zinc/37/82/59/402378259.db2.gz UQDPYCRTXRBAAI-QGZVFWFLSA-N 1 0 324.428 2.152 20 70 DEIDRO CCCOc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cn1 ZINC000161306433 402381677 /nfs/dbraw/zinc/38/16/77/402381677.db2.gz SCTPAZJNLCYYBY-UHFFFAOYSA-N 1 0 305.422 2.407 20 70 DEIDRO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000161338418 402383282 /nfs/dbraw/zinc/38/32/82/402383282.db2.gz HVBONEQDRKDARQ-OAHLLOKOSA-N 1 0 312.417 2.188 20 70 DEIDRO C[C@@]1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCC[NH2+]C1 ZINC000161354962 402384311 /nfs/dbraw/zinc/38/43/11/402384311.db2.gz SWBMXUBIYGQGGH-GOSISDBHSA-N 1 0 315.417 2.137 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCN2c3ccccc3C[C@@H]2C)CC1 ZINC000161369121 402384647 /nfs/dbraw/zinc/38/46/47/402384647.db2.gz ORYIKLDJJCPIKE-NNGSBXSVSA-N 1 0 315.461 2.475 20 70 DEIDRO Cc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000159635006 402326966 /nfs/dbraw/zinc/32/69/66/402326966.db2.gz MSUZGCBHLFYMRL-SFHVURJKSA-N 1 0 319.493 2.036 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000159642704 402327766 /nfs/dbraw/zinc/32/77/66/402327766.db2.gz AMNTYUVLSNBZDE-HOTGVXAUSA-N 1 0 311.470 2.319 20 70 DEIDRO CC(C)c1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160140552 275757855 /nfs/dbraw/zinc/75/78/55/275757855.db2.gz CFJXLPUZAAFSMC-CYBMUJFWSA-N 1 0 310.463 2.448 20 70 DEIDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@](C)(O)C2)([NH+](C)C)C1 ZINC000160785531 277732635 /nfs/dbraw/zinc/73/26/35/277732635.db2.gz QIPDMBMPBRLBAZ-OIISXLGYSA-N 1 0 311.470 2.053 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)NCc1ccccc1F)C(=O)OC ZINC000159658706 521438954 /nfs/dbraw/zinc/43/89/54/521438954.db2.gz CTBYJONIWZYHBE-UHFFFAOYSA-N 1 0 324.396 2.011 20 70 DEIDRO COc1cc(CCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)ccc1C ZINC000160321606 522335989 /nfs/dbraw/zinc/33/59/89/522335989.db2.gz GYOPYCONXILZFZ-GOSISDBHSA-N 1 0 324.424 2.377 20 70 DEIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccncc1C ZINC000161389608 523022468 /nfs/dbraw/zinc/02/24/68/523022468.db2.gz QEYVYQZUOFXWNV-KRWDZBQOSA-N 1 0 318.465 2.496 20 70 DEIDRO C[C@@H](C(=O)NCCCOC1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000160941332 524183802 /nfs/dbraw/zinc/18/38/02/524183802.db2.gz WDAQBEJDJAYFJX-PBHICJAKSA-N 1 0 320.433 2.024 20 70 DEIDRO C[C@H](CCO)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000159873825 524212155 /nfs/dbraw/zinc/21/21/55/524212155.db2.gz PJNBMRLRRHKLCH-ZIAGYGMSSA-N 1 0 307.438 2.186 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)C1CCOCC1 ZINC000161475699 525461171 /nfs/dbraw/zinc/46/11/71/525461171.db2.gz AHWVKPAFCPXXJZ-HNNXBMFYSA-N 1 0 304.434 2.428 20 70 DEIDRO O=C(CCc1ccc(F)cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000159530010 526590614 /nfs/dbraw/zinc/59/06/14/526590614.db2.gz CRTYBWNQDQTEON-UHFFFAOYSA-N 1 0 308.372 2.452 20 70 DEIDRO CN(CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159779210 539583511 /nfs/dbraw/zinc/58/35/11/539583511.db2.gz MJBJVMWKWUTBDR-UHFFFAOYSA-N 1 0 301.434 2.113 20 70 DEIDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160569684 539587287 /nfs/dbraw/zinc/58/72/87/539587287.db2.gz AXJZLWDWGCNQKI-AWEZNQCLSA-N 1 0 300.406 2.438 20 70 DEIDRO CCc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000159589897 186129878 /nfs/dbraw/zinc/12/98/78/186129878.db2.gz QVFHOLMIAHDPSE-UHFFFAOYSA-N 1 0 304.415 2.186 20 70 DEIDRO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@H]1CCC[C@@H]1O ZINC000159608575 186130552 /nfs/dbraw/zinc/13/05/52/186130552.db2.gz HBZJRQDPNNCMLP-AOIWGVFYSA-N 1 0 316.445 2.347 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000159658135 186133374 /nfs/dbraw/zinc/13/33/74/186133374.db2.gz NAGFKFFPFMCULJ-OKILXGFUSA-N 1 0 312.454 2.345 20 70 DEIDRO CC(C)C[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000159938041 355962860 /nfs/dbraw/zinc/96/28/60/355962860.db2.gz GJJMKSCNJJKKTM-AWEZNQCLSA-N 1 0 307.438 2.362 20 70 DEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000160080342 355964251 /nfs/dbraw/zinc/96/42/51/355964251.db2.gz SZAHOHXPLIVMBB-LBPRGKRZSA-N 1 0 319.405 2.361 20 70 DEIDRO COC(=O)c1csc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000160840928 355966782 /nfs/dbraw/zinc/96/67/82/355966782.db2.gz RIAXEJDINAQGJX-UHFFFAOYSA-N 1 0 311.407 2.142 20 70 DEIDRO CC[NH+](CC)CCCNC(=O)c1cc(OC)c(OC)cc1F ZINC000161252738 197479292 /nfs/dbraw/zinc/47/92/92/197479292.db2.gz YAKXVEKEDIGQIU-UHFFFAOYSA-N 1 0 312.385 2.305 20 70 DEIDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160692032 197431747 /nfs/dbraw/zinc/43/17/47/197431747.db2.gz HDNZEOJQIJEPJB-QZTJIDSGSA-N 1 0 316.445 2.493 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000160552878 197421821 /nfs/dbraw/zinc/42/18/21/197421821.db2.gz DKDQIKGFWASOIQ-NWDGAFQWSA-N 1 0 318.446 2.177 20 70 DEIDRO C[C@H](Cc1ccccc1F)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000160336269 197401653 /nfs/dbraw/zinc/40/16/53/197401653.db2.gz OIPZVJIDUKTRMC-CQSZACIVSA-N 1 0 322.424 2.231 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2OC)CC1 ZINC000159975669 197377949 /nfs/dbraw/zinc/37/79/49/197377949.db2.gz NDMXSEPRKGEJOO-UHFFFAOYSA-N 1 0 305.422 2.241 20 70 DEIDRO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000159912435 197372937 /nfs/dbraw/zinc/37/29/37/197372937.db2.gz VFGCPEPAAUTRRK-CABCVRRESA-N 1 0 322.474 2.422 20 70 DEIDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000159838893 197367847 /nfs/dbraw/zinc/36/78/47/197367847.db2.gz DKHJWCOFCNNDRR-VHSXEESVSA-N 1 0 304.312 2.413 20 70 DEIDRO C[N@H+](CCn1ccnc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815799 197366190 /nfs/dbraw/zinc/36/61/90/197366190.db2.gz FENATODFNFWFJN-HNNXBMFYSA-N 1 0 318.808 2.274 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000159470415 197356018 /nfs/dbraw/zinc/35/60/18/197356018.db2.gz HJOGBWVKBBMBJS-ZJUUUORDSA-N 1 0 304.312 2.345 20 70 DEIDRO Cc1nc(C)c(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)s1 ZINC000159444318 197354659 /nfs/dbraw/zinc/35/46/59/197354659.db2.gz SUFBNZITAGXBMS-AWEZNQCLSA-N 1 0 324.494 2.284 20 70 DEIDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000159522758 402324556 /nfs/dbraw/zinc/32/45/56/402324556.db2.gz LOCLAESIGPCXQZ-ZIFCJYIRSA-N 1 0 316.445 2.440 20 70 DEIDRO CCn1ccnc1C[NH2+]C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000217804783 402293893 /nfs/dbraw/zinc/29/38/93/402293893.db2.gz KKIPEKGVSDCENM-ZDUSSCGKSA-N 1 0 310.442 2.496 20 70 DEIDRO CCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)sc1C ZINC000160502799 402348308 /nfs/dbraw/zinc/34/83/08/402348308.db2.gz WZZAIFSIKFODFB-CQSZACIVSA-N 1 0 310.463 2.196 20 70 DEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000160530322 402349165 /nfs/dbraw/zinc/34/91/65/402349165.db2.gz GNJLUQRMZOORQO-ZJUUUORDSA-N 1 0 311.348 2.131 20 70 DEIDRO CCc1nc2c(s1)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCC2 ZINC000160572906 402352090 /nfs/dbraw/zinc/35/20/90/402352090.db2.gz PRTPBNXYGVLWDA-QMMMGPOBSA-N 1 0 321.368 2.351 20 70 DEIDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160630887 402354445 /nfs/dbraw/zinc/35/44/45/402354445.db2.gz ALMFOIGCZGNWKX-SDBXPKJASA-N 1 0 304.287 2.327 20 70 DEIDRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)n1C1CC1 ZINC000160643689 402355113 /nfs/dbraw/zinc/35/51/13/402355113.db2.gz YAYYHTBEBYZXAD-INIZCTEOSA-N 1 0 319.449 2.016 20 70 DEIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCCCO2)CC1 ZINC000160703375 402357201 /nfs/dbraw/zinc/35/72/01/402357201.db2.gz BITFFJVDOYHCHE-MRXNPFEDSA-N 1 0 306.406 2.272 20 70 DEIDRO NC(=O)[C@H]([NH2+]CCCOc1ccccc1)c1ccc(F)cc1 ZINC000160715099 402357730 /nfs/dbraw/zinc/35/77/30/402357730.db2.gz DUSQGVFIPFLHDC-MRXNPFEDSA-N 1 0 302.349 2.411 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)C1 ZINC000160709440 402358162 /nfs/dbraw/zinc/35/81/62/402358162.db2.gz DWUOWGOQLHTSFR-URWSZGRFSA-N 1 0 324.856 2.334 20 70 DEIDRO Cc1c(/C=C/C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C ZINC000160780105 402360224 /nfs/dbraw/zinc/36/02/24/402360224.db2.gz GXIWOKAMTOSESL-UTCUSRJNSA-N 1 0 318.465 2.368 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000160947969 402366611 /nfs/dbraw/zinc/36/66/11/402366611.db2.gz KMMPBMMBYNOQNU-QGZVFWFLSA-N 1 0 321.465 2.487 20 70 DEIDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)C)cnn1-c1ccc(F)cc1 ZINC000161000767 402368945 /nfs/dbraw/zinc/36/89/45/402368945.db2.gz PCQVCZOIABAPDW-GFCCVEGCSA-N 1 0 318.396 2.495 20 70 DEIDRO O=C1[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCCN1c1ccccc1F ZINC000161025338 402369922 /nfs/dbraw/zinc/36/99/22/402369922.db2.gz LXLBMIDWRWWZSV-WMZOPIPTSA-N 1 0 318.392 2.434 20 70 DEIDRO CCc1nc(-c2ccccc2NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC000161130288 402373921 /nfs/dbraw/zinc/37/39/21/402373921.db2.gz UWFCXXNJISZYFS-UHFFFAOYSA-N 1 0 313.405 2.314 20 70 DEIDRO Cc1cc(C[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)[nH]n1 ZINC000161139532 402374587 /nfs/dbraw/zinc/37/45/87/402374587.db2.gz SFOFZGQJXQUBHT-LBPRGKRZSA-N 1 0 300.406 2.141 20 70 DEIDRO Cc1ccccc1O[C@H](C)CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000161170578 402376113 /nfs/dbraw/zinc/37/61/13/402376113.db2.gz TZQSAOCRJLVNMT-OAHLLOKOSA-N 1 0 324.424 2.375 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000161197845 402377217 /nfs/dbraw/zinc/37/72/17/402377217.db2.gz HVOPLPURRFZREE-UHFFFAOYSA-N 1 0 323.481 2.003 20 70 DEIDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000161231883 402378156 /nfs/dbraw/zinc/37/81/56/402378156.db2.gz UQDPYCRTXRBAAI-KRWDZBQOSA-N 1 0 324.428 2.152 20 70 DEIDRO CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)[NH+](C)C ZINC000161243792 402378748 /nfs/dbraw/zinc/37/87/48/402378748.db2.gz NIBCFJASEVKGEU-HOTGVXAUSA-N 1 0 321.465 2.144 20 70 DEIDRO CCc1cc(=O)[nH]c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000161329568 402382671 /nfs/dbraw/zinc/38/26/71/402382671.db2.gz DAQGRGQPDKFJDY-MRXNPFEDSA-N 1 0 312.417 2.233 20 70 DEIDRO Cc1nc(CN2CCN(CCC[NH+]3CCCCC3)CC2)oc1C ZINC000161339739 402383277 /nfs/dbraw/zinc/38/32/77/402383277.db2.gz XXGWSFPMJDLNIY-UHFFFAOYSA-N 1 0 320.481 2.285 20 70 DEIDRO C[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1c1cccc(F)c1 ZINC000161486974 402389076 /nfs/dbraw/zinc/38/90/76/402389076.db2.gz MHUPYMONMCGRNY-XGWLTEMNSA-N 1 0 306.381 2.114 20 70 DEIDRO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1CC[NH2+]C1 ZINC000161394507 402385914 /nfs/dbraw/zinc/38/59/14/402385914.db2.gz NIRXIIXPZVCLCQ-SNVBAGLBSA-N 1 0 322.821 2.330 20 70 DEIDRO CC1CC[NH+](CCNC(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000159878361 402332525 /nfs/dbraw/zinc/33/25/25/402332525.db2.gz QAJSSKPKUZIBLW-UHFFFAOYSA-N 1 0 320.437 2.118 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000159930300 402333516 /nfs/dbraw/zinc/33/35/16/402333516.db2.gz CBJSHVPLQJMCGP-GFCCVEGCSA-N 1 0 323.441 2.165 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000159939052 402334512 /nfs/dbraw/zinc/33/45/12/402334512.db2.gz VJCXZZMQOOYGQV-AWEZNQCLSA-N 1 0 309.410 2.013 20 70 DEIDRO CC[C@](C)(CCO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160928689 281284291 /nfs/dbraw/zinc/28/42/91/281284291.db2.gz KEOZRMVDOOUHCX-DOTOQJQBSA-N 1 0 313.486 2.347 20 70 DEIDRO CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160378060 521562389 /nfs/dbraw/zinc/56/23/89/521562389.db2.gz GLUAKNMSODLOFC-AWEZNQCLSA-N 1 0 306.406 2.194 20 70 DEIDRO CCc1ccccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161373745 521811261 /nfs/dbraw/zinc/81/12/61/521811261.db2.gz QLVMJCAJADWOGP-HUUCEWRRSA-N 1 0 304.434 2.478 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161183262 522076925 /nfs/dbraw/zinc/07/69/25/522076925.db2.gz UDWMSDVLHLQTHB-CVEARBPZSA-N 1 0 321.465 2.386 20 70 DEIDRO COCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000160449172 523739692 /nfs/dbraw/zinc/73/96/92/523739692.db2.gz MFKTUMCDBXDEAQ-UHFFFAOYSA-N 1 0 302.374 2.450 20 70 DEIDRO C[NH+]1CCC(NC(=O)NCCOc2ccccc2Cl)CC1 ZINC000159567308 523773593 /nfs/dbraw/zinc/77/35/93/523773593.db2.gz LGAXDOVMIHFGOS-UHFFFAOYSA-N 1 0 311.813 2.112 20 70 DEIDRO CNC(=O)CC1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159944601 524055236 /nfs/dbraw/zinc/05/52/36/524055236.db2.gz AQFDTWBFDIXGOS-UHFFFAOYSA-N 1 0 302.418 2.416 20 70 DEIDRO C[C@H]1CCC[N@H+](CCNC(=O)[C@H](O)c2ccccc2Cl)C1 ZINC000159543062 524091061 /nfs/dbraw/zinc/09/10/61/524091061.db2.gz WEDXPQYKSJUJHT-SWLSCSKDSA-N 1 0 310.825 2.222 20 70 DEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160265991 524330259 /nfs/dbraw/zinc/33/02/59/524330259.db2.gz FFYMIGWXNXPHEX-CYBMUJFWSA-N 1 0 313.405 2.076 20 70 DEIDRO Cc1c(/C=C/C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC000160897512 525516530 /nfs/dbraw/zinc/51/65/30/525516530.db2.gz JMVYQZKEWPPNJR-MYSGNRETSA-N 1 0 318.465 2.368 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000159507828 525785902 /nfs/dbraw/zinc/78/59/02/525785902.db2.gz IDTYDEBTQWCTBA-ILXRZTDVSA-N 1 0 318.461 2.444 20 70 DEIDRO C[C@@H](Oc1cccnc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159696514 525963250 /nfs/dbraw/zinc/96/32/50/525963250.db2.gz LLCZUYHTCFRPJX-CQSZACIVSA-N 1 0 305.422 2.278 20 70 DEIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160250271 527060425 /nfs/dbraw/zinc/06/04/25/527060425.db2.gz SYPAVROXHCKDTI-PVAVHDDUSA-N 1 0 321.465 2.071 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2nc(-c3cccs3)no2)C1 ZINC000160898912 539588425 /nfs/dbraw/zinc/58/84/25/539588425.db2.gz HCHWDCKBKPXSOV-GHMZBOCLSA-N 1 0 320.418 2.117 20 70 DEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000160059276 539584920 /nfs/dbraw/zinc/58/49/20/539584920.db2.gz JAXFMECMVWSURO-KGLIPLIRSA-N 1 0 302.426 2.043 20 70 DEIDRO CCc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161345181 539591416 /nfs/dbraw/zinc/59/14/16/539591416.db2.gz YYHOBFKWLKKHRR-UHFFFAOYSA-N 1 0 324.428 2.405 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N(C)c1ccccc1)C(=O)OC ZINC000159670507 186134125 /nfs/dbraw/zinc/13/41/25/186134125.db2.gz UPHKRXWGRRMIAB-UHFFFAOYSA-N 1 0 306.406 2.218 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159758056 186140087 /nfs/dbraw/zinc/14/00/87/186140087.db2.gz FRJBHVXTUNJZMC-HNNXBMFYSA-N 1 0 311.470 2.460 20 70 DEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccnc1)C1CC1 ZINC000160709490 355965048 /nfs/dbraw/zinc/96/50/48/355965048.db2.gz LENIBWUIUZQPKF-INIZCTEOSA-N 1 0 314.433 2.240 20 70 DEIDRO CCC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161267521 355967970 /nfs/dbraw/zinc/96/79/70/355967970.db2.gz VPEHMYCAJHJOSI-OAGGEKHMSA-N 1 0 321.465 2.118 20 70 DEIDRO C/C(=C/C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160563867 197422468 /nfs/dbraw/zinc/42/24/68/197422468.db2.gz LXTCBYFGIYXUAP-OOXMNIKJSA-N 1 0 320.408 2.192 20 70 DEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000160551656 197421252 /nfs/dbraw/zinc/42/12/52/197421252.db2.gz INUMCPKWEJFVIZ-GJZGRUSLSA-N 1 0 308.447 2.246 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2nc(C)c(-c3ccccc3)o2)C1 ZINC000160581624 197423431 /nfs/dbraw/zinc/42/34/31/197423431.db2.gz VOJFDOOENDVORD-OAHLLOKOSA-N 1 0 313.401 2.403 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Cl ZINC000160255232 197396074 /nfs/dbraw/zinc/39/60/74/197396074.db2.gz MBSLWILSCIUGSG-GFCCVEGCSA-N 1 0 314.788 2.056 20 70 DEIDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CO)C1 ZINC000160127178 197388329 /nfs/dbraw/zinc/38/83/29/197388329.db2.gz WBYFQUDXXKVQOJ-QWHCGFSZSA-N 1 0 300.443 2.430 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000160131247 197388182 /nfs/dbraw/zinc/38/81/82/197388182.db2.gz XPSHKNJFZPVRMH-SNVBAGLBSA-N 1 0 303.189 2.322 20 70 DEIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160101914 197386345 /nfs/dbraw/zinc/38/63/45/197386345.db2.gz QDGXVLNOCSBKOB-GOEBONIOSA-N 1 0 318.417 2.109 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000160005475 197379431 /nfs/dbraw/zinc/37/94/31/197379431.db2.gz MBXOVLOBWYACEG-CQSZACIVSA-N 1 0 302.374 2.009 20 70 DEIDRO CC(C)([NH3+])CNC(=O)/C=C/c1cc(Br)cs1 ZINC000159946505 197375906 /nfs/dbraw/zinc/37/59/06/197375906.db2.gz RMISYYIHJFPNSW-ONEGZZNKSA-N 1 0 303.225 2.377 20 70 DEIDRO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000159912042 197372984 /nfs/dbraw/zinc/37/29/84/197372984.db2.gz VFGCPEPAAUTRRK-LSDHHAIUSA-N 1 0 322.474 2.422 20 70 DEIDRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC3(CCC3)C2)C[C@H](C)O1 ZINC000159808466 197365411 /nfs/dbraw/zinc/36/54/11/197365411.db2.gz WWMIPMJAXBPDTI-GASCZTMLSA-N 1 0 309.454 2.071 20 70 DEIDRO C[C@H]1C[NH+](CCCNC(=O)N2CCC3(CCC3)C2)C[C@H](C)O1 ZINC000159808547 197365597 /nfs/dbraw/zinc/36/55/97/197365597.db2.gz WWMIPMJAXBPDTI-GJZGRUSLSA-N 1 0 309.454 2.071 20 70 DEIDRO CS[C@H](C)CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000159759606 197361737 /nfs/dbraw/zinc/36/17/37/197361737.db2.gz NULQNRJWQVXHFY-AAVRWANBSA-N 1 0 301.500 2.404 20 70 DEIDRO Cc1nc(COc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)no1 ZINC000159474156 197355756 /nfs/dbraw/zinc/35/57/56/197355756.db2.gz FIHUFHUHZJXFAA-AWEZNQCLSA-N 1 0 316.361 2.038 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000160012326 285212629 /nfs/dbraw/zinc/21/26/29/285212629.db2.gz JWWNBELABRQFDB-OAHLLOKOSA-N 1 0 309.454 2.215 20 70 DEIDRO CCCn1c2ccccc2nc1CNC[C@@H](O)C(F)(F)F ZINC000218208604 402295048 /nfs/dbraw/zinc/29/50/48/402295048.db2.gz ZHRPKPJPQFEAQN-GFCCVEGCSA-N 1 0 301.312 2.459 20 70 DEIDRO COC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)CC[NH2+]CC1 ZINC000161423568 402386951 /nfs/dbraw/zinc/38/69/51/402386951.db2.gz IYFJPGNIZVEHQS-HOCLYGCPSA-N 1 0 302.418 2.160 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000160457542 402346246 /nfs/dbraw/zinc/34/62/46/402346246.db2.gz VPZIFJBJTQKFNU-INIZCTEOSA-N 1 0 311.433 2.160 20 70 DEIDRO CCC[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000160519603 402349531 /nfs/dbraw/zinc/34/95/31/402349531.db2.gz ZYYNJBGTYHQYQV-KRWDZBQOSA-N 1 0 319.449 2.329 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000160537501 402350104 /nfs/dbraw/zinc/35/01/04/402350104.db2.gz KDTYBPOJPMERPD-PBHICJAKSA-N 1 0 318.417 2.063 20 70 DEIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CCOCC1 ZINC000160636521 402354870 /nfs/dbraw/zinc/35/48/70/402354870.db2.gz VLTDMHWZOMBGIT-INIZCTEOSA-N 1 0 318.461 2.424 20 70 DEIDRO OC[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000161434552 402387678 /nfs/dbraw/zinc/38/76/78/402387678.db2.gz OGWBVNMNFYYSQO-AWEZNQCLSA-N 1 0 316.367 2.379 20 70 DEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160983371 402368150 /nfs/dbraw/zinc/36/81/50/402368150.db2.gz KFLDVGFITPQJQI-AWEZNQCLSA-N 1 0 300.406 2.107 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000161068328 402371574 /nfs/dbraw/zinc/37/15/74/402371574.db2.gz GDTKFPJDAZVPLM-KRWDZBQOSA-N 1 0 303.450 2.137 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 ZINC000161111831 402373216 /nfs/dbraw/zinc/37/32/16/402373216.db2.gz YNYQBYXGNXUTQS-UHFFFAOYSA-N 1 0 320.433 2.474 20 70 DEIDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(OC)c(N)c1 ZINC000161118197 402373404 /nfs/dbraw/zinc/37/34/04/402373404.db2.gz VFYZWOMSUSFHMC-UHFFFAOYSA-N 1 0 311.451 2.291 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000161233188 402378320 /nfs/dbraw/zinc/37/83/20/402378320.db2.gz ODRPUCFOJMDQFO-MRXNPFEDSA-N 1 0 304.434 2.474 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnc2onc(C(C)C)c2c1 ZINC000161334349 402383398 /nfs/dbraw/zinc/38/33/98/402383398.db2.gz LLWWRFLGGHKYBI-LBPRGKRZSA-N 1 0 302.378 2.170 20 70 DEIDRO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000161343243 402384289 /nfs/dbraw/zinc/38/42/89/402384289.db2.gz LZXVEWPTSGZSDY-OAHLLOKOSA-N 1 0 306.454 2.074 20 70 DEIDRO CC[C@H]1CCCCN1C(=O)[C@H](C)SCCN1CCOCC1 ZINC000159764206 402330160 /nfs/dbraw/zinc/33/01/60/402330160.db2.gz IAQYHVFWTLIYGR-GJZGRUSLSA-N 1 0 314.495 2.231 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000159950872 402334321 /nfs/dbraw/zinc/33/43/21/402334321.db2.gz GBMALENYLNCNDC-HZPDHXFCSA-N 1 0 311.470 2.175 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2COc3ccc(C)cc32)CC1 ZINC000160000070 402335089 /nfs/dbraw/zinc/33/50/89/402335089.db2.gz MTFVUTLIRCBSFN-HNNXBMFYSA-N 1 0 303.406 2.166 20 70 DEIDRO CC(C)c1cc(C(=O)NCCC[NH3+])c2cnn(C(C)C)c2n1 ZINC000160048366 402335433 /nfs/dbraw/zinc/33/54/33/402335433.db2.gz QAMYTORUVBILGC-UHFFFAOYSA-N 1 0 303.410 2.214 20 70 DEIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160250027 402339326 /nfs/dbraw/zinc/33/93/26/402339326.db2.gz SYPAVROXHCKDTI-OIISXLGYSA-N 1 0 321.465 2.071 20 70 DEIDRO CC1(C)CCC(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000160709222 275809681 /nfs/dbraw/zinc/80/96/81/275809681.db2.gz XCFROOAKFJPNFP-HNNXBMFYSA-N 1 0 308.466 2.384 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3nc(C)sc31)CC2 ZINC000160504823 279141421 /nfs/dbraw/zinc/14/14/21/279141421.db2.gz KIZXUJOPGICERG-WCQYABFASA-N 1 0 303.435 2.333 20 70 DEIDRO COc1cc2c(cc1C[NH2+]C[C@@](C)(O)CSC)O[C@H](C)C2 ZINC000217847814 337319284 /nfs/dbraw/zinc/31/92/84/337319284.db2.gz ZMXOSJNIQCRNOL-BDJLRTHQSA-N 1 0 311.447 2.222 20 70 DEIDRO CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160972116 519049488 /nfs/dbraw/zinc/04/94/88/519049488.db2.gz DERKQHZZHONFDI-GDBMZVCRSA-N 1 0 304.434 2.133 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCc2cccn2C)CC1 ZINC000159914386 521610285 /nfs/dbraw/zinc/61/02/85/521610285.db2.gz JIWRPANAHMBGQY-OAHLLOKOSA-N 1 0 306.454 2.083 20 70 DEIDRO C[C@@H](CCO)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159873392 524511880 /nfs/dbraw/zinc/51/18/80/524511880.db2.gz PJNBMRLRRHKLCH-KBPBESRZSA-N 1 0 307.438 2.186 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159385953 525742530 /nfs/dbraw/zinc/74/25/30/525742530.db2.gz JLYXDFXUWMKEBM-UWVGGRQHSA-N 1 0 320.311 2.225 20 70 DEIDRO COc1cccc(CCC[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000159726874 525885133 /nfs/dbraw/zinc/88/51/33/525885133.db2.gz XUIBFNGFCRHNFJ-QGZVFWFLSA-N 1 0 304.434 2.476 20 70 DEIDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160541589 525940500 /nfs/dbraw/zinc/94/05/00/525940500.db2.gz QQXSVMQCHVTVAL-BNOWGMLFSA-N 1 0 308.809 2.460 20 70 DEIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160527217 295770960 /nfs/dbraw/zinc/77/09/60/295770960.db2.gz LVFQSFNEMSVLKF-IKGGRYGDSA-N 1 0 321.465 2.214 20 70 DEIDRO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161114607 539589100 /nfs/dbraw/zinc/58/91/00/539589100.db2.gz QYYZYUVKEOKCMV-ZFWWWQNUSA-N 1 0 303.406 2.281 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000161197279 539589922 /nfs/dbraw/zinc/58/99/22/539589922.db2.gz IRTXDGWDRVIVPY-NXEZZACHSA-N 1 0 313.195 2.154 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000161482737 539591936 /nfs/dbraw/zinc/59/19/36/539591936.db2.gz GYPCGEXUBBHPGK-QWHCGFSZSA-N 1 0 302.353 2.011 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000161505061 539592122 /nfs/dbraw/zinc/59/21/22/539592122.db2.gz ODIGQQVCECGFLV-NWDGAFQWSA-N 1 0 302.353 2.011 20 70 DEIDRO C[C@@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159654309 186133683 /nfs/dbraw/zinc/13/36/83/186133683.db2.gz WBTTZYXPDCCOLA-RKDXNWHRSA-N 1 0 317.252 2.393 20 70 DEIDRO O=C(c1ccc(Br)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000218451301 356273739 /nfs/dbraw/zinc/27/37/39/356273739.db2.gz LWNHRHGKFCSWCL-SKDRFNHKSA-N 1 0 313.170 2.022 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000161161110 283561975 /nfs/dbraw/zinc/56/19/75/283561975.db2.gz LZVRTJJMBNNUBG-JSGCOSHPSA-N 1 0 308.809 2.102 20 70 DEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CC2)CC1 ZINC000161200014 197474158 /nfs/dbraw/zinc/47/41/58/197474158.db2.gz VNEAGOQMYHJNOQ-ZDUSSCGKSA-N 1 0 302.422 2.411 20 70 DEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160548475 197420609 /nfs/dbraw/zinc/42/06/09/197420609.db2.gz FRFPZVSWGFASKR-WZRBSPASSA-N 1 0 316.243 2.175 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000160236653 197394769 /nfs/dbraw/zinc/39/47/69/197394769.db2.gz USGNNDBTIICPLH-LBPRGKRZSA-N 1 0 317.364 2.363 20 70 DEIDRO CCNC(=O)c1cccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000160178462 197391687 /nfs/dbraw/zinc/39/16/87/197391687.db2.gz NUVYIHCEZLWFOH-VBQJREDUSA-N 1 0 303.450 2.255 20 70 DEIDRO CC[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)[NH+](C)C ZINC000160043288 197381850 /nfs/dbraw/zinc/38/18/50/197381850.db2.gz NXXJEGDIAMGCJZ-AWEZNQCLSA-N 1 0 306.406 2.416 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000159953458 197376082 /nfs/dbraw/zinc/37/60/82/197376082.db2.gz PZHNHEPTBWDDJS-LBPRGKRZSA-N 1 0 322.352 2.063 20 70 DEIDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000159839170 197367882 /nfs/dbraw/zinc/36/78/82/197367882.db2.gz DKHJWCOFCNNDRR-NXEZZACHSA-N 1 0 304.312 2.413 20 70 DEIDRO CCCCn1ncc(NC(=O)NCC2CC[NH+](C)CC2)c1C ZINC000159684678 291657195 /nfs/dbraw/zinc/65/71/95/291657195.db2.gz MMYJYPMCHGFDLC-UHFFFAOYSA-N 1 0 307.442 2.455 20 70 DEIDRO CC(C)[NH+]1CCC(C(=O)N(C)c2ccc3c(c2)OCO3)CC1 ZINC000160297755 291665380 /nfs/dbraw/zinc/66/53/80/291665380.db2.gz DLNCTOBGWCXLAW-UHFFFAOYSA-N 1 0 304.390 2.499 20 70 DEIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159477501 197356574 /nfs/dbraw/zinc/35/65/74/197356574.db2.gz AEYUAOURQJHDFH-CYBMUJFWSA-N 1 0 303.406 2.308 20 70 DEIDRO COc1cccc2c1OCC(C(=O)NCC1([NH3+])CCCCC1)=C2 ZINC000159484611 402323918 /nfs/dbraw/zinc/32/39/18/402323918.db2.gz IPDKWDPAKPABDT-UHFFFAOYSA-N 1 0 316.401 2.249 20 70 DEIDRO Cc1c(C(=O)N2CC[NH+](CC3CC3)CC2)cnn1CC(C)C ZINC000159482647 402323985 /nfs/dbraw/zinc/32/39/85/402323985.db2.gz GHMRXXXDMVZNFN-UHFFFAOYSA-N 1 0 304.438 2.015 20 70 DEIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCc1cccc(F)c1 ZINC000159451164 402324003 /nfs/dbraw/zinc/32/40/03/402324003.db2.gz VQTPQUMYMRGTOQ-KRWDZBQOSA-N 1 0 300.377 2.445 20 70 DEIDRO CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@@H]1C(N)=O ZINC000160305492 402340539 /nfs/dbraw/zinc/34/05/39/402340539.db2.gz SCVVKMAYBOTOIC-MRXNPFEDSA-N 1 0 312.417 2.445 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cc(OC)ccc1OC ZINC000160486219 402347693 /nfs/dbraw/zinc/34/76/93/402347693.db2.gz CVOARTVGZKOIDA-JXMROGBWSA-N 1 0 306.406 2.351 20 70 DEIDRO CCc1nc(C)c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)s1 ZINC000160525032 402349452 /nfs/dbraw/zinc/34/94/52/402349452.db2.gz TZIWAEJBSDCVNJ-ZETCQYMHSA-N 1 0 309.357 2.343 20 70 DEIDRO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160658145 402355577 /nfs/dbraw/zinc/35/55/77/402355577.db2.gz XLEARASHTYJRFM-CKEIUWERSA-N 1 0 322.474 2.380 20 70 DEIDRO CCCn1c(C)nnc1CN1CC[N@H+](C)CC12CCCCC2 ZINC000160688427 402357262 /nfs/dbraw/zinc/35/72/62/402357262.db2.gz BIWBRCNJMOFSKT-UHFFFAOYSA-N 1 0 305.470 2.447 20 70 DEIDRO C[C@H]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000160736054 402358996 /nfs/dbraw/zinc/35/89/96/402358996.db2.gz RPNFVJLDNJPEGA-DOTOQJQBSA-N 1 0 308.466 2.384 20 70 DEIDRO CCNC(=O)N1CCc2ccc(NC(=O)[C@H]([NH3+])[C@@H](C)CC)cc21 ZINC000160775000 402360069 /nfs/dbraw/zinc/36/00/69/402360069.db2.gz CAFVNHAVMCJFNQ-XHDPSFHLSA-N 1 0 318.421 2.091 20 70 DEIDRO COC(C)(C)C[C@@H](C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160967647 402367810 /nfs/dbraw/zinc/36/78/10/402367810.db2.gz AZLGSNKXYXBQRH-CYBMUJFWSA-N 1 0 307.438 2.346 20 70 DEIDRO COCCC1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000161027890 402369704 /nfs/dbraw/zinc/36/97/04/402369704.db2.gz XPQICVSHEHTNSZ-UHFFFAOYSA-N 1 0 309.454 2.073 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCO)C(C)C ZINC000161027491 402369891 /nfs/dbraw/zinc/36/98/91/402369891.db2.gz LLTRCKMLGMPAKF-HOTGVXAUSA-N 1 0 313.486 2.203 20 70 DEIDRO O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCC[NH2+]1 ZINC000161038793 402370251 /nfs/dbraw/zinc/37/02/51/402370251.db2.gz KULVMFHWICRISP-JYJNAYRXSA-N 1 0 304.390 2.059 20 70 DEIDRO CC(C)[NH+](CCNC(=O)N[C@H](CCO)C(C)(C)C)C(C)C ZINC000161185887 402376346 /nfs/dbraw/zinc/37/63/46/402376346.db2.gz WYQNTGPMKUVZJX-CQSZACIVSA-N 1 0 301.475 2.202 20 70 DEIDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O ZINC000161250239 402379318 /nfs/dbraw/zinc/37/93/18/402379318.db2.gz PAWXSDFLFPFUBH-LBPRGKRZSA-N 1 0 317.776 2.449 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000161316433 402382052 /nfs/dbraw/zinc/38/20/52/402382052.db2.gz YHXFSIOWWMKZBP-LLVKDONJSA-N 1 0 302.403 2.029 20 70 DEIDRO COCCC[C@@H]([NH2+]CCO)c1ccc(Br)cc1 ZINC000159691483 402328435 /nfs/dbraw/zinc/32/84/35/402328435.db2.gz WRAHFSHSVCFRCD-CYBMUJFWSA-N 1 0 302.212 2.499 20 70 DEIDRO COCCc1noc(CN2CCC[C@H]2c2cccc(C)n2)n1 ZINC000159723732 402329034 /nfs/dbraw/zinc/32/90/34/402329034.db2.gz RFDNHDIOIIYEQA-AWEZNQCLSA-N 1 0 302.378 2.299 20 70 DEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159903115 402332816 /nfs/dbraw/zinc/33/28/16/402332816.db2.gz KHHXLCWNKDXAPT-CYBMUJFWSA-N 1 0 320.437 2.118 20 70 DEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CC2CCOCC2)C1 ZINC000159932092 402333813 /nfs/dbraw/zinc/33/38/13/402333813.db2.gz FTXFVUUVQWYUIT-INIZCTEOSA-N 1 0 311.470 2.032 20 70 DEIDRO Cc1cccc([C@H]2CCCN2CC(=O)NC(=O)NCC(C)C)n1 ZINC000160009339 402335146 /nfs/dbraw/zinc/33/51/46/402335146.db2.gz OCGGCHPLGSHITM-OAHLLOKOSA-N 1 0 318.421 2.009 20 70 DEIDRO CCCN(CCO)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160214174 402338062 /nfs/dbraw/zinc/33/80/62/402338062.db2.gz UZCZFCUOGVYKCR-NVXWUHKLSA-N 1 0 319.449 2.063 20 70 DEIDRO O=C(Oc1ccccc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000161499659 402390017 /nfs/dbraw/zinc/39/00/17/402390017.db2.gz ASVDZSHXUBLDQG-MRXNPFEDSA-N 1 0 304.390 2.372 20 70 DEIDRO COc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160537851 286345445 /nfs/dbraw/zinc/34/54/45/286345445.db2.gz HYDMFQFAQUKVBA-OAHLLOKOSA-N 1 0 320.433 2.311 20 70 DEIDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(C)CC1 ZINC000161414105 274206823 /nfs/dbraw/zinc/20/68/23/274206823.db2.gz SIOPBOOXPLQSDK-NSHDSACASA-N 1 0 310.829 2.136 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161397433 278131418 /nfs/dbraw/zinc/13/14/18/278131418.db2.gz WRWRFTMBTRRYMY-OLZOCXBDSA-N 1 0 308.447 2.485 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)C1CCOCC1 ZINC000161475824 278358817 /nfs/dbraw/zinc/35/88/17/278358817.db2.gz AHWVKPAFCPXXJZ-OAHLLOKOSA-N 1 0 304.434 2.428 20 70 DEIDRO CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[NH+]1CCCC1 ZINC000159660670 280247485 /nfs/dbraw/zinc/24/74/85/280247485.db2.gz APJYXVHLYDGYOV-IKGGRYGDSA-N 1 0 323.481 2.364 20 70 DEIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000160456142 280283306 /nfs/dbraw/zinc/28/33/06/280283306.db2.gz OSGHMVLMBVVTTP-CQSZACIVSA-N 1 0 305.422 2.116 20 70 DEIDRO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159955668 281012671 /nfs/dbraw/zinc/01/26/71/281012671.db2.gz OZOIFENSBHGBMS-GUTXKFCHSA-N 1 0 306.381 2.336 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)CC1 ZINC000161120415 519914711 /nfs/dbraw/zinc/91/47/11/519914711.db2.gz ACLBIGTVGCRIIQ-AATRIKPKSA-N 1 0 324.856 2.243 20 70 DEIDRO CCNc1nc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cs1 ZINC000159566053 520354884 /nfs/dbraw/zinc/35/48/84/520354884.db2.gz VMMGRQCSTXFVJL-GFCCVEGCSA-N 1 0 310.467 2.283 20 70 DEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccncc1C ZINC000161134016 521600028 /nfs/dbraw/zinc/60/00/28/521600028.db2.gz YHAMKVABZFPTRX-INIZCTEOSA-N 1 0 304.438 2.106 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000159916794 521608873 /nfs/dbraw/zinc/60/88/73/521608873.db2.gz HLHGAGWYMZFOTH-CQSZACIVSA-N 1 0 323.412 2.330 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCOCCc1ccccc1 ZINC000161227774 522087368 /nfs/dbraw/zinc/08/73/68/522087368.db2.gz GOQPOYMFYXVMRW-QGZVFWFLSA-N 1 0 304.434 2.236 20 70 DEIDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)O ZINC000160583626 524342622 /nfs/dbraw/zinc/34/26/22/524342622.db2.gz WDHQFLIGDVKGKA-LBPRGKRZSA-N 1 0 312.841 2.438 20 70 DEIDRO CC(C)(C[NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159496534 527067929 /nfs/dbraw/zinc/06/79/29/527067929.db2.gz ZVNDUBUROMCBDI-UHFFFAOYSA-N 1 0 306.250 2.315 20 70 DEIDRO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160743339 539587148 /nfs/dbraw/zinc/58/71/48/539587148.db2.gz SAGZRPKTDWZWFQ-WBMJQRKESA-N 1 0 306.406 2.115 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](OC)c2ccccc2)CC1 ZINC000159588403 186128729 /nfs/dbraw/zinc/12/87/29/186128729.db2.gz JWDGRLXHUTVVAZ-INIZCTEOSA-N 1 0 305.422 2.111 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159629211 186131908 /nfs/dbraw/zinc/13/19/08/186131908.db2.gz ZZESLCMUDXQZMJ-SMDDNHRTSA-N 1 0 320.437 2.178 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 ZINC000159642690 186132441 /nfs/dbraw/zinc/13/24/41/186132441.db2.gz UBLCLJPKMSTVMB-UHFFFAOYSA-N 1 0 323.824 2.466 20 70 DEIDRO CNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159661878 186133574 /nfs/dbraw/zinc/13/35/74/186133574.db2.gz DLJOEEGKXSLZBA-XHSDSOJGSA-N 1 0 300.402 2.093 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159660982 186133649 /nfs/dbraw/zinc/13/36/49/186133649.db2.gz CGCUBZOAEWZSCG-QWHCGFSZSA-N 1 0 322.453 2.426 20 70 DEIDRO C[C@@H](O)CC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159678279 186135077 /nfs/dbraw/zinc/13/50/77/186135077.db2.gz YLOZFTKVFYNKTA-QMTHXVAHSA-N 1 0 314.788 2.287 20 70 DEIDRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159698378 186136583 /nfs/dbraw/zinc/13/65/83/186136583.db2.gz PRBGQSCFKVXMGK-KMFMINBZSA-N 1 0 322.424 2.265 20 70 DEIDRO COc1cc2c(c(C[NH+]3CCC(CC(N)=O)CC3)c1)O[C@@H](C)C2 ZINC000159726433 186137714 /nfs/dbraw/zinc/13/77/14/186137714.db2.gz MPVVAEQURKEVHG-LBPRGKRZSA-N 1 0 318.417 2.106 20 70 DEIDRO O=C(Cn1ncc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159745516 186139411 /nfs/dbraw/zinc/13/94/11/186139411.db2.gz UPHROVSIQQACGZ-UHFFFAOYSA-N 1 0 312.417 2.027 20 70 DEIDRO Cc1cc(NC(=O)CC[NH2+]C(C)C)ccc1C(=O)NC(C)C ZINC000159496455 355961134 /nfs/dbraw/zinc/96/11/34/355961134.db2.gz YHQOASGQEHGKHY-UHFFFAOYSA-N 1 0 305.422 2.460 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(F)cc2F)CC1 ZINC000159853177 355962906 /nfs/dbraw/zinc/96/29/06/355962906.db2.gz MIJIMAJJYDPTSN-UHFFFAOYSA-N 1 0 311.376 2.245 20 70 DEIDRO CCCC(O)(CCC)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160703259 355965013 /nfs/dbraw/zinc/96/50/13/355965013.db2.gz XUVAEADMQKIZRK-HNNXBMFYSA-N 1 0 311.470 2.101 20 70 DEIDRO [NH3+][C@@H](CCC(=O)NCCCOC1CCOCC1)c1ccccc1 ZINC000160940062 355967860 /nfs/dbraw/zinc/96/78/60/355967860.db2.gz GLDJSGVVEKXTLA-KRWDZBQOSA-N 1 0 320.433 2.169 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000160265450 197396603 /nfs/dbraw/zinc/39/66/03/197396603.db2.gz YXKXBFUUKRBQSY-LLVKDONJSA-N 1 0 312.845 2.240 20 70 DEIDRO Cc1nn(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)c(C)c1Cl ZINC000160210292 197393132 /nfs/dbraw/zinc/39/31/32/197393132.db2.gz IQKGHZXPFXBZMX-CYBMUJFWSA-N 1 0 318.808 2.316 20 70 DEIDRO CCC[C@H]([NH2+][C@@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206614 197392832 /nfs/dbraw/zinc/39/28/32/197392832.db2.gz LISACHJIEPRHLC-JSGCOSHPSA-N 1 0 310.463 2.426 20 70 DEIDRO COCC(C)(C)NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160199780 197392478 /nfs/dbraw/zinc/39/24/78/197392478.db2.gz ZNGFEQAAIKDJJQ-GOEBONIOSA-N 1 0 319.449 2.374 20 70 DEIDRO [NH3+]CCCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000160142816 197389248 /nfs/dbraw/zinc/38/92/48/197389248.db2.gz MUHPSUKOHNEAPE-UHFFFAOYSA-N 1 0 318.398 2.265 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000160147988 197388800 /nfs/dbraw/zinc/38/88/00/197388800.db2.gz GPHWCSLOZFWRRO-CQSZACIVSA-N 1 0 318.442 2.478 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000159956046 197376251 /nfs/dbraw/zinc/37/62/51/197376251.db2.gz KBZHXWYUGAOUEK-GFCCVEGCSA-N 1 0 323.245 2.351 20 70 DEIDRO Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000159917975 197374140 /nfs/dbraw/zinc/37/41/40/197374140.db2.gz AHZYBGJSPSIWPO-CYBMUJFWSA-N 1 0 314.389 2.211 20 70 DEIDRO CCOc1ccccc1OCC(=O)NCC1([NH3+])CCCCC1 ZINC000159506919 197358461 /nfs/dbraw/zinc/35/84/61/197358461.db2.gz WVENWGNGTWDFBJ-UHFFFAOYSA-N 1 0 306.406 2.242 20 70 DEIDRO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1C(=O)NC(C)C ZINC000159497485 197358036 /nfs/dbraw/zinc/35/80/36/197358036.db2.gz HYYYURUTRJRKBY-ZDUSSCGKSA-N 1 0 303.406 2.071 20 70 DEIDRO O=C(CCc1cccc(OC2CCCC2)c1)N1CC[NH2+]CC1 ZINC000159437536 197353696 /nfs/dbraw/zinc/35/36/96/197353696.db2.gz HKRKXCBBWOANSN-UHFFFAOYSA-N 1 0 302.418 2.372 20 70 DEIDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2ccccc2Br)C1 ZINC000217268466 402291157 /nfs/dbraw/zinc/29/11/57/402291157.db2.gz MIQCLMCWKFONFU-LLVKDONJSA-N 1 0 311.223 2.189 20 70 DEIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCc2ccco2)[C@@H](C)C1 ZINC000217210051 402291536 /nfs/dbraw/zinc/29/15/36/402291536.db2.gz QXVIZFWOYJQGPH-RDJZCZTQSA-N 1 0 322.449 2.465 20 70 DEIDRO Cn1c(C[NH2+]CCNC(=O)OC(C)(C)C)nc2ccccc21 ZINC000218321538 402295586 /nfs/dbraw/zinc/29/55/86/402295586.db2.gz LUMBKYKKQJNALO-UHFFFAOYSA-N 1 0 304.394 2.188 20 70 DEIDRO Cn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238467 402295670 /nfs/dbraw/zinc/29/56/70/402295670.db2.gz UAFIEMUKZDKSMG-ZDUSSCGKSA-N 1 0 308.426 2.157 20 70 DEIDRO Cn1nccc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238630 402295707 /nfs/dbraw/zinc/29/57/07/402295707.db2.gz HIOUHDDUWRWZHE-ZDUSSCGKSA-N 1 0 308.426 2.157 20 70 DEIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160328956 402340819 /nfs/dbraw/zinc/34/08/19/402340819.db2.gz BLKKNMCVRXUURX-JQWIXIFHSA-N 1 0 304.369 2.400 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160449194 402345757 /nfs/dbraw/zinc/34/57/57/402345757.db2.gz VZEIWKLKKVMPSG-UHFFFAOYSA-N 1 0 321.347 2.299 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000160478442 402346944 /nfs/dbraw/zinc/34/69/44/402346944.db2.gz WGGXKBMDHJNZPE-HUUCEWRRSA-N 1 0 323.481 2.049 20 70 DEIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000160484296 402347497 /nfs/dbraw/zinc/34/74/97/402347497.db2.gz LRMDNIAPSWKXNG-FUHWJXTLSA-N 1 0 303.450 2.187 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000160490728 402347770 /nfs/dbraw/zinc/34/77/70/402347770.db2.gz YVSGHUUSEOPSHQ-KGLIPLIRSA-N 1 0 304.390 2.248 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160516598 402349483 /nfs/dbraw/zinc/34/94/83/402349483.db2.gz MYLHNBOMAGSOOV-CHWSQXEVSA-N 1 0 303.406 2.153 20 70 DEIDRO C[C@H](CC(=O)NCC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000160533641 402349855 /nfs/dbraw/zinc/34/98/55/402349855.db2.gz OKLNMOYCEYDUHU-OAHLLOKOSA-N 1 0 310.482 2.413 20 70 DEIDRO CCOC(=O)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000160601458 402353350 /nfs/dbraw/zinc/35/33/50/402353350.db2.gz HJSWNGXCZNMEHA-UHFFFAOYSA-N 1 0 306.406 2.210 20 70 DEIDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160746006 402358949 /nfs/dbraw/zinc/35/89/49/402358949.db2.gz ZPFSGWNGVUQSLS-QGZVFWFLSA-N 1 0 309.498 2.491 20 70 DEIDRO CC[C@H](O)CCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000160829213 402361901 /nfs/dbraw/zinc/36/19/01/402361901.db2.gz YQPSVGMXWMJKJC-KRWDZBQOSA-N 1 0 321.465 2.489 20 70 DEIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000160821144 402361982 /nfs/dbraw/zinc/36/19/82/402361982.db2.gz GXKOJQOFIVLQPD-GJZGRUSLSA-N 1 0 321.465 2.214 20 70 DEIDRO CCCCN(CCO)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160909482 402365315 /nfs/dbraw/zinc/36/53/15/402365315.db2.gz TVEDCWLPGBGJOM-MRXNPFEDSA-N 1 0 313.486 2.301 20 70 DEIDRO CC[C@@H]1COCCN1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160931340 402365825 /nfs/dbraw/zinc/36/58/25/402365825.db2.gz QHSWOFOWHFEDKM-HZPDHXFCSA-N 1 0 311.470 2.317 20 70 DEIDRO Cc1c(/C=C/C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000160993919 402368385 /nfs/dbraw/zinc/36/83/85/402368385.db2.gz USRMPPIOIIASQI-YTCPFPDASA-N 1 0 318.465 2.224 20 70 DEIDRO CC[C@H](CCO)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161017034 402369298 /nfs/dbraw/zinc/36/92/98/402369298.db2.gz OEEOTNLGMRRGSC-HZPDHXFCSA-N 1 0 313.486 2.205 20 70 DEIDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)c2ccc(C)cc2)C1 ZINC000161023993 402369861 /nfs/dbraw/zinc/36/98/61/402369861.db2.gz JADPUQJHGZQXDX-INIZCTEOSA-N 1 0 302.418 2.368 20 70 DEIDRO C[C@@H](CCO)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000161046221 402371082 /nfs/dbraw/zinc/37/10/82/402371082.db2.gz VIUMDMFMDMCHBR-LBPRGKRZSA-N 1 0 304.390 2.243 20 70 DEIDRO COCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000161063295 402371697 /nfs/dbraw/zinc/37/16/97/402371697.db2.gz ZFNBCOUYKOUOLF-UHFFFAOYSA-N 1 0 319.430 2.118 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000161134516 402374538 /nfs/dbraw/zinc/37/45/38/402374538.db2.gz YFRZBIBMSKGXFJ-UHFFFAOYSA-N 1 0 314.389 2.198 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000161178755 402376797 /nfs/dbraw/zinc/37/67/97/402376797.db2.gz MLXVZQRAVRIYEW-UPJWGTAASA-N 1 0 302.484 2.024 20 70 DEIDRO CN(C)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161229195 402378349 /nfs/dbraw/zinc/37/83/49/402378349.db2.gz RDOIZUBELHETQV-UHFFFAOYSA-N 1 0 318.396 2.168 20 70 DEIDRO CNC(=O)CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161226972 402378550 /nfs/dbraw/zinc/37/85/50/402378550.db2.gz LOIRGVFRKSCHCO-UHFFFAOYSA-N 1 0 318.396 2.216 20 70 DEIDRO CCCCNc1ccccc1C(=O)NCCCN1CCOCC1 ZINC000161366337 402384640 /nfs/dbraw/zinc/38/46/40/402384640.db2.gz XROAGPYNNLDADK-UHFFFAOYSA-N 1 0 319.449 2.351 20 70 DEIDRO COC1(C(=O)N(C)Cc2cc3ccccc3o2)CC[NH2+]CC1 ZINC000161416648 402386250 /nfs/dbraw/zinc/38/62/50/402386250.db2.gz FYUMJIRHNHDCGD-UHFFFAOYSA-N 1 0 302.374 2.160 20 70 DEIDRO CCCCOC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161402877 402386342 /nfs/dbraw/zinc/38/63/42/402386342.db2.gz IFGUECBCQIYCGT-CQSZACIVSA-N 1 0 320.437 2.137 20 70 DEIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)SCCN1CCOCC1 ZINC000159764091 402330368 /nfs/dbraw/zinc/33/03/68/402330368.db2.gz IAQYHVFWTLIYGR-LSDHHAIUSA-N 1 0 314.495 2.231 20 70 DEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COC[C@@H]2CCCO2)n1 ZINC000159998320 402335067 /nfs/dbraw/zinc/33/50/67/402335067.db2.gz FIBWIHKXYJBLNC-BQFCYCMXSA-N 1 0 320.433 2.083 20 70 DEIDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714512 287054028 /nfs/dbraw/zinc/05/40/28/287054028.db2.gz UZGBXBCEWSQDJN-PBHICJAKSA-N 1 0 312.417 2.434 20 70 DEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000161205066 276160887 /nfs/dbraw/zinc/16/08/87/276160887.db2.gz PUGXRYXRVUZHOW-YOEHRIQHSA-N 1 0 314.437 2.187 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160509933 293555439 /nfs/dbraw/zinc/55/54/39/293555439.db2.gz BPURFPFCWWUGFH-BXUZGUMPSA-N 1 0 317.412 2.457 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCN(C)Cc2ccccc2)CC1 ZINC000161347482 519645474 /nfs/dbraw/zinc/64/54/74/519645474.db2.gz SDBXFZDLJUSCJY-UHFFFAOYSA-N 1 0 303.450 2.155 20 70 DEIDRO CC1CC[NH+](CCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000159518698 521014420 /nfs/dbraw/zinc/01/44/20/521014420.db2.gz MFVZLSBWVAOWEM-OAHLLOKOSA-N 1 0 310.825 2.222 20 70 DEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160329948 521639607 /nfs/dbraw/zinc/63/96/07/521639607.db2.gz HELAHSWYFNFKQZ-YPMHNXCESA-N 1 0 309.435 2.209 20 70 DEIDRO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1C ZINC000159781355 522406336 /nfs/dbraw/zinc/40/63/36/522406336.db2.gz IEOIDNUPFUHWHB-GXTWGEPZSA-N 1 0 322.405 2.284 20 70 DEIDRO CC[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160199145 523780246 /nfs/dbraw/zinc/78/02/46/523780246.db2.gz VGGHZPLAMJWSLD-SJORKVTESA-N 1 0 304.434 2.143 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cnccn1 ZINC000160460684 525463494 /nfs/dbraw/zinc/46/34/94/525463494.db2.gz IPLQEHKZIHFXJI-HNNXBMFYSA-N 1 0 312.417 2.160 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000159862950 526562671 /nfs/dbraw/zinc/56/26/71/526562671.db2.gz RQUZATFTVLBMDU-WDEREUQCSA-N 1 0 308.426 2.177 20 70 DEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161163584 539589030 /nfs/dbraw/zinc/58/90/30/539589030.db2.gz WADGWYSANRMNLV-HUUCEWRRSA-N 1 0 312.417 2.489 20 70 DEIDRO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000217894654 539726944 /nfs/dbraw/zinc/72/69/44/539726944.db2.gz NWMWREOSIYVXES-GFCCVEGCSA-N 1 0 314.426 2.204 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000159658277 186133575 /nfs/dbraw/zinc/13/35/75/186133575.db2.gz NAGFKFFPFMCULJ-KBPBESRZSA-N 1 0 312.454 2.345 20 70 DEIDRO Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159714447 186136898 /nfs/dbraw/zinc/13/68/98/186136898.db2.gz DRZIDGZFVSPIRC-UHFFFAOYSA-N 1 0 317.433 2.362 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159757923 186139714 /nfs/dbraw/zinc/13/97/14/186139714.db2.gz FRJBHVXTUNJZMC-OAHLLOKOSA-N 1 0 311.470 2.460 20 70 DEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160741755 355966088 /nfs/dbraw/zinc/96/60/88/355966088.db2.gz HGOCJZAOKDJCHB-GDBMZVCRSA-N 1 0 302.422 2.346 20 70 DEIDRO CC(C)[NH+](CCS[C@H]1CCN(c2cnn(C)c2)C1=O)C(C)C ZINC000161077807 197462547 /nfs/dbraw/zinc/46/25/47/197462547.db2.gz JKAGQJVBHOYOQX-HNNXBMFYSA-N 1 0 324.494 2.377 20 70 DEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC000160225905 197393948 /nfs/dbraw/zinc/39/39/48/197393948.db2.gz MXVHKLSKNFDVLP-GJZGRUSLSA-N 1 0 306.454 2.072 20 70 DEIDRO CN(CC(=O)Nc1cccc2c1N=S=N2)[C@H](C[NH3+])C1CC1 ZINC000160119426 197386925 /nfs/dbraw/zinc/38/69/25/197386925.db2.gz GFZPXJRBNSJABO-GFCCVEGCSA-N 1 0 305.407 2.021 20 70 DEIDRO C[N@H+](CCCNC(=O)N1CCC[C@@](C)(O)C1)Cc1ccccc1 ZINC000159951074 197376153 /nfs/dbraw/zinc/37/61/53/197376153.db2.gz GFDZEJRAKCLKKM-GOSISDBHSA-N 1 0 319.449 2.065 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000159953741 197375706 /nfs/dbraw/zinc/37/57/06/197375706.db2.gz PEYIIOQHVLMRJA-NSHDSACASA-N 1 0 323.245 2.351 20 70 DEIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160548362 291668326 /nfs/dbraw/zinc/66/83/26/291668326.db2.gz FRFPZVSWGFASKR-LOWVWBTDSA-N 1 0 316.243 2.175 20 70 DEIDRO CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)[NH+](C)C ZINC000161243942 291673319 /nfs/dbraw/zinc/67/33/19/291673319.db2.gz NIBCFJASEVKGEU-CVEARBPZSA-N 1 0 321.465 2.144 20 70 DEIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000159513597 197359847 /nfs/dbraw/zinc/35/98/47/197359847.db2.gz FLDJLUXUHNNYNZ-RCBQFDQVSA-N 1 0 311.447 2.434 20 70 DEIDRO CC[C@H]1CCCCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000159371217 197348492 /nfs/dbraw/zinc/34/84/92/197348492.db2.gz KCZQJVXCNZRZHN-AWEZNQCLSA-N 1 0 319.453 2.306 20 70 DEIDRO O=C(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000159486049 402324766 /nfs/dbraw/zinc/32/47/66/402324766.db2.gz LXQDFFFMMXNHIX-UHFFFAOYSA-N 1 0 317.216 2.332 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000160320065 402340623 /nfs/dbraw/zinc/34/06/23/402340623.db2.gz BVTCUSKYFXPZEL-AWEZNQCLSA-N 1 0 304.781 2.089 20 70 DEIDRO CCOC(=O)C1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCC1 ZINC000160417040 402344703 /nfs/dbraw/zinc/34/47/03/402344703.db2.gz FIMOXUORSPEBPB-RHSMWYFYSA-N 1 0 324.465 2.347 20 70 DEIDRO C[NH+](C)CCN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCCC1 ZINC000160442342 402346106 /nfs/dbraw/zinc/34/61/06/402346106.db2.gz ABUXOTDJQOCOBV-RDJZCZTQSA-N 1 0 323.481 2.460 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160485086 402347548 /nfs/dbraw/zinc/34/75/48/402347548.db2.gz OTNRUEDIBNVWFN-CJNGLKHVSA-N 1 0 322.416 2.438 20 70 DEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C/c1cnn(C)c1C ZINC000160646605 402354931 /nfs/dbraw/zinc/35/49/31/402354931.db2.gz UTQGRODLKFHPOM-PLSXKVAHSA-N 1 0 306.454 2.368 20 70 DEIDRO CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160641898 402355124 /nfs/dbraw/zinc/35/51/24/402355124.db2.gz IIQZGCUIPGNGER-CWRNSKLLSA-N 1 0 316.401 2.009 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000160709158 402357840 /nfs/dbraw/zinc/35/78/40/402357840.db2.gz IBCMNQXMWAQHGW-AWEZNQCLSA-N 1 0 310.401 2.184 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2occc2COc2ccccc2)C1 ZINC000160729659 402358372 /nfs/dbraw/zinc/35/83/72/402358372.db2.gz BEUZCPVGPDCLFD-CQSZACIVSA-N 1 0 300.358 2.293 20 70 DEIDRO C[C@H]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000160735808 402359028 /nfs/dbraw/zinc/35/90/28/402359028.db2.gz RPNFVJLDNJPEGA-RDJZCZTQSA-N 1 0 308.466 2.384 20 70 DEIDRO CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]([NH3+])[C@H](C)CC)cc21 ZINC000160774621 402360011 /nfs/dbraw/zinc/36/00/11/402360011.db2.gz CAFVNHAVMCJFNQ-ABAIWWIYSA-N 1 0 318.421 2.091 20 70 DEIDRO CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000160953393 402367303 /nfs/dbraw/zinc/36/73/03/402367303.db2.gz RAIDZGAWPWILSD-HNNXBMFYSA-N 1 0 315.417 2.136 20 70 DEIDRO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160974442 402367826 /nfs/dbraw/zinc/36/78/26/402367826.db2.gz JAHALDOKXZSWRU-SZVBFZGTSA-N 1 0 316.445 2.318 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCO)C(C)C ZINC000161027364 402369977 /nfs/dbraw/zinc/36/99/77/402369977.db2.gz LLTRCKMLGMPAKF-CVEARBPZSA-N 1 0 313.486 2.203 20 70 DEIDRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161452131 402388380 /nfs/dbraw/zinc/38/83/80/402388380.db2.gz CGCSLDPKYFIRKO-HUUCEWRRSA-N 1 0 318.392 2.247 20 70 DEIDRO COc1cc(F)c(C(=O)N(C)C2CC[NH+](C)CC2)cc1OC ZINC000161125983 402373858 /nfs/dbraw/zinc/37/38/58/402373858.db2.gz SMOKWESVHPKRFL-UHFFFAOYSA-N 1 0 310.369 2.009 20 70 DEIDRO CNC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232241 402378471 /nfs/dbraw/zinc/37/84/71/402378471.db2.gz DADXFDVJWJKHDX-UHFFFAOYSA-N 1 0 300.406 2.077 20 70 DEIDRO COC1(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000161257626 402379467 /nfs/dbraw/zinc/37/94/67/402379467.db2.gz ALFZKPJYHRLXPK-UHFFFAOYSA-N 1 0 318.461 2.500 20 70 DEIDRO CCNC(=O)c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161287645 402380849 /nfs/dbraw/zinc/38/08/49/402380849.db2.gz KKPUGBIHLKFLTQ-UHFFFAOYSA-N 1 0 318.417 2.212 20 70 DEIDRO CN1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000161416141 402386185 /nfs/dbraw/zinc/38/61/85/402386185.db2.gz DAXOWXINKXJTOW-UHFFFAOYSA-N 1 0 305.441 2.474 20 70 DEIDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000159804386 402330918 /nfs/dbraw/zinc/33/09/18/402330918.db2.gz AIJABCZRWQUVKR-OAHLLOKOSA-N 1 0 323.481 2.176 20 70 DEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000159804523 402330947 /nfs/dbraw/zinc/33/09/47/402330947.db2.gz AIJABCZRWQUVKR-HNNXBMFYSA-N 1 0 323.481 2.176 20 70 DEIDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000161414887 402386437 /nfs/dbraw/zinc/38/64/37/402386437.db2.gz LPJDTAIUTVPOSL-GOSISDBHSA-N 1 0 306.450 2.173 20 70 DEIDRO Cc1nn(CC(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)c1Cl ZINC000159836601 402331846 /nfs/dbraw/zinc/33/18/46/402331846.db2.gz PHUHJCYDCDXGEB-UHFFFAOYSA-N 1 0 324.856 2.144 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000159896051 402333056 /nfs/dbraw/zinc/33/30/56/402333056.db2.gz DSOOMNQHRHQJAB-QGZVFWFLSA-N 1 0 319.449 2.237 20 70 DEIDRO OCC1(C[NH2+]C[C@H](O)COc2ccccc2Cl)CCCC1 ZINC000160156878 402336579 /nfs/dbraw/zinc/33/65/79/402336579.db2.gz AJFANTQGIKYZOG-ZDUSSCGKSA-N 1 0 313.825 2.222 20 70 DEIDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)CCO)CC1 ZINC000160203220 402338145 /nfs/dbraw/zinc/33/81/45/402338145.db2.gz RKSNXOQYXHWTIK-LSDHHAIUSA-N 1 0 319.449 2.282 20 70 DEIDRO C[C@H](c1ccco1)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159761157 278314295 /nfs/dbraw/zinc/31/42/95/278314295.db2.gz DZAMNUJAMCUGNF-GFCCVEGCSA-N 1 0 305.378 2.137 20 70 DEIDRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159463786 280084667 /nfs/dbraw/zinc/08/46/67/280084667.db2.gz BHGVRBXYMPQYEX-HOTGVXAUSA-N 1 0 313.486 2.419 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)CCOc2ccccc2OC)CC1 ZINC000161034171 519914476 /nfs/dbraw/zinc/91/44/76/519914476.db2.gz CDPIPXNBDNXPCY-UHFFFAOYSA-N 1 0 320.433 2.312 20 70 DEIDRO CCOc1cc(CCCNC(=O)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000160063500 520694202 /nfs/dbraw/zinc/69/42/02/520694202.db2.gz GPPINSPJMHFPQL-OAHLLOKOSA-N 1 0 320.433 2.142 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2F)CC1 ZINC000159920755 521608636 /nfs/dbraw/zinc/60/86/36/521608636.db2.gz CZHCFVKUTZDUDK-CQSZACIVSA-N 1 0 323.412 2.330 20 70 DEIDRO CCc1nc(-c2ccccc2NC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC000161340828 522119621 /nfs/dbraw/zinc/11/96/21/522119621.db2.gz QYKNTHZTWNVVGA-UHFFFAOYSA-N 1 0 301.394 2.313 20 70 DEIDRO COCc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159848663 522945573 /nfs/dbraw/zinc/94/55/73/522945573.db2.gz PLGJMNIKKOVXLW-UHFFFAOYSA-N 1 0 302.418 2.437 20 70 DEIDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000161486234 523586646 /nfs/dbraw/zinc/58/66/46/523586646.db2.gz HIHVCLOWWLQVBV-UONOGXRCSA-N 1 0 310.463 2.245 20 70 DEIDRO CCc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)o1 ZINC000160455896 524023980 /nfs/dbraw/zinc/02/39/80/524023980.db2.gz LZVBNTSOKZJRCF-CYBMUJFWSA-N 1 0 307.438 2.045 20 70 DEIDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)CCO)c1ccccc1 ZINC000159873695 525386273 /nfs/dbraw/zinc/38/62/73/525386273.db2.gz PJNBMRLRRHKLCH-UONOGXRCSA-N 1 0 307.438 2.186 20 70 DEIDRO Cc1ccccc1[C@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161103340 525408195 /nfs/dbraw/zinc/40/81/95/525408195.db2.gz HFWYEPSOEGRBPQ-HNNXBMFYSA-N 1 0 319.449 2.154 20 70 DEIDRO O=C(CCc1ccc(F)cc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160143404 526590169 /nfs/dbraw/zinc/59/01/69/526590169.db2.gz BMQRVIXYURKDNO-LBPRGKRZSA-N 1 0 308.372 2.498 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000160887919 539588689 /nfs/dbraw/zinc/58/86/89/539588689.db2.gz DKVPJOPTMZJXRG-CHWSQXEVSA-N 1 0 322.380 2.183 20 70 DEIDRO COc1ccccc1-c1nc(C(=O)NCC(C)(C)[NH3+])cs1 ZINC000159999625 539584827 /nfs/dbraw/zinc/58/48/27/539584827.db2.gz VRQOUPBASCCVEE-UHFFFAOYSA-N 1 0 305.403 2.286 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000161482866 539591881 /nfs/dbraw/zinc/59/18/81/539591881.db2.gz GYPCGEXUBBHPGK-STQMWFEESA-N 1 0 302.353 2.011 20 70 DEIDRO C[N@@H+](CC(=O)N1CCCc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159569156 186127829 /nfs/dbraw/zinc/12/78/29/186127829.db2.gz BNFZFIAZPLALAA-RDJZCZTQSA-N 1 0 302.418 2.059 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000159739960 186138678 /nfs/dbraw/zinc/13/86/78/186138678.db2.gz STYJQNRYNDFWBB-AWEZNQCLSA-N 1 0 305.422 2.060 20 70 DEIDRO CCCC(O)(CCC)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160703144 355964739 /nfs/dbraw/zinc/96/47/39/355964739.db2.gz XUVAEADMQKIZRK-OAHLLOKOSA-N 1 0 311.470 2.101 20 70 DEIDRO CC[C@@H](C(=O)NCCOc1ncc(Cl)cc1Cl)[NH+](C)C ZINC000160744455 355966178 /nfs/dbraw/zinc/96/61/78/355966178.db2.gz YEDASTOAXYKWSF-NSHDSACASA-N 1 0 320.220 2.224 20 70 DEIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)cc1N(C)C ZINC000160600193 197424987 /nfs/dbraw/zinc/42/49/87/197424987.db2.gz WABPXLPCUPQZKR-SECBINFHSA-N 1 0 321.318 2.221 20 70 DEIDRO O=C(CCc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160310433 197399402 /nfs/dbraw/zinc/39/94/02/197399402.db2.gz DLMJEBUCEKBTBC-MRXNPFEDSA-N 1 0 324.852 2.236 20 70 DEIDRO Cc1nnc2ccc(N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nn12 ZINC000160242312 197394895 /nfs/dbraw/zinc/39/48/95/197394895.db2.gz FOCJIUVDAWSENW-XJKSGUPXSA-N 1 0 322.416 2.365 20 70 DEIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)CC(C)C ZINC000160138605 197388563 /nfs/dbraw/zinc/38/85/63/197388563.db2.gz RWFDCYYACQLBOE-WBVHZDCISA-N 1 0 313.486 2.299 20 70 DEIDRO C[C@H](CNC(=O)[C@H](O)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000160094401 197385153 /nfs/dbraw/zinc/38/51/53/197385153.db2.gz RXGHIIVZZSRESI-IUODEOHRSA-N 1 0 310.825 2.222 20 70 DEIDRO C[C@H]1C[C@H](NC(=O)Nc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000159881647 197370669 /nfs/dbraw/zinc/37/06/69/197370669.db2.gz MUJMPNLPHSIWPM-ZFWWWQNUSA-N 1 0 313.405 2.205 20 70 DEIDRO NC(=O)CC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000159840145 197368328 /nfs/dbraw/zinc/36/83/28/197368328.db2.gz UHITVCNQISWYFA-UHFFFAOYSA-N 1 0 316.380 2.099 20 70 DEIDRO CC[C@@H]1CCCCN1C(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159664697 291657084 /nfs/dbraw/zinc/65/70/84/291657084.db2.gz FAQVPFPUDZEMIR-CQSZACIVSA-N 1 0 312.454 2.347 20 70 DEIDRO CC(C)[C@@H](C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)[NH+](C)C ZINC000159516439 197359842 /nfs/dbraw/zinc/35/98/42/197359842.db2.gz VHDMBQWKKBMUCA-OIISXLGYSA-N 1 0 306.450 2.244 20 70 DEIDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1C(=O)NC(C)C ZINC000159499704 197359181 /nfs/dbraw/zinc/35/91/81/197359181.db2.gz NMIPSQQHKYEEIY-CYBMUJFWSA-N 1 0 303.406 2.071 20 70 DEIDRO CCOc1cc(CNC(=O)[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000159587559 402326338 /nfs/dbraw/zinc/32/63/38/402326338.db2.gz RRVATXXNFLNFJP-QGZVFWFLSA-N 1 0 314.385 2.410 20 70 DEIDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccs2)CC1 ZINC000160312367 402340692 /nfs/dbraw/zinc/34/06/92/402340692.db2.gz VPNCVIHAVGPWOV-CQSZACIVSA-N 1 0 307.463 2.271 20 70 DEIDRO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(C)c(OC)c3)CC2)C1 ZINC000160348763 402342184 /nfs/dbraw/zinc/34/21/84/402342184.db2.gz BUCQZEZXUREJJD-OAHLLOKOSA-N 1 0 316.445 2.493 20 70 DEIDRO CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@H]3C[NH3+])c2)cc1 ZINC000160400024 402343994 /nfs/dbraw/zinc/34/39/94/402343994.db2.gz MQNFWDMMAWKNKE-SFHVURJKSA-N 1 0 324.428 2.378 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 ZINC000160469189 402346815 /nfs/dbraw/zinc/34/68/15/402346815.db2.gz WLSNRXWXXNBFBW-GFCCVEGCSA-N 1 0 314.364 2.398 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000160497395 402348294 /nfs/dbraw/zinc/34/82/94/402348294.db2.gz ZVTKDFHLZXWPOI-NSHDSACASA-N 1 0 312.845 2.098 20 70 DEIDRO CCCc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160635116 402354757 /nfs/dbraw/zinc/35/47/57/402354757.db2.gz FZYCQNZPCNKLTB-UHFFFAOYSA-N 1 0 304.434 2.073 20 70 DEIDRO Cc1c(/C=C/C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C ZINC000160779976 402360341 /nfs/dbraw/zinc/36/03/41/402360341.db2.gz GXIWOKAMTOSESL-MHMSXWKFSA-N 1 0 318.465 2.368 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000160816604 402361230 /nfs/dbraw/zinc/36/12/30/402361230.db2.gz LXFJOHXVUOAVJT-QGZVFWFLSA-N 1 0 318.465 2.352 20 70 DEIDRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160832484 402362675 /nfs/dbraw/zinc/36/26/75/402362675.db2.gz ODARJPPBAONTGS-DOTOQJQBSA-N 1 0 322.424 2.343 20 70 DEIDRO CC(C)c1cnc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000160892873 402364346 /nfs/dbraw/zinc/36/43/46/402364346.db2.gz VQWXZQONNMUKRQ-UHFFFAOYSA-N 1 0 320.422 2.035 20 70 DEIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160926387 402365885 /nfs/dbraw/zinc/36/58/85/402365885.db2.gz PKOSIUUKWKMVAN-JQFCIGGWSA-N 1 0 302.418 2.411 20 70 DEIDRO [NH3+]C1(C(=O)NCc2nc(C(F)(F)F)cs2)CCCCC1 ZINC000161004133 402368653 /nfs/dbraw/zinc/36/86/53/402368653.db2.gz AVIKBKUAXQADOO-UHFFFAOYSA-N 1 0 307.341 2.440 20 70 DEIDRO O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161040587 402370273 /nfs/dbraw/zinc/37/02/73/402370273.db2.gz NFYOQILUMSTLND-XOKHGSTOSA-N 1 0 318.417 2.307 20 70 DEIDRO CCOc1cccc(CCNC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000161472791 402388508 /nfs/dbraw/zinc/38/85/08/402388508.db2.gz XFXKMAZPRNUBMF-HNNXBMFYSA-N 1 0 322.474 2.181 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000161212646 402377963 /nfs/dbraw/zinc/37/79/63/402377963.db2.gz HEPYMRHUWUKPDW-UHFFFAOYSA-N 1 0 303.406 2.299 20 70 DEIDRO COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000161238307 402378822 /nfs/dbraw/zinc/37/88/22/402378822.db2.gz UDTFHQIPZURXBE-DOTOQJQBSA-N 1 0 316.445 2.407 20 70 DEIDRO COc1cccc(OCCCNC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000161360326 402384326 /nfs/dbraw/zinc/38/43/26/402384326.db2.gz FBSHGAQWVVXJKF-QGZVFWFLSA-N 1 0 314.385 2.280 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]c1=O ZINC000159770910 402330407 /nfs/dbraw/zinc/33/04/07/402330407.db2.gz VWRHWKCWYLMOEW-INIZCTEOSA-N 1 0 311.385 2.286 20 70 DEIDRO C[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000159864907 402331879 /nfs/dbraw/zinc/33/18/79/402331879.db2.gz YKYKFGRAIJWEER-AWEZNQCLSA-N 1 0 323.481 2.317 20 70 DEIDRO CCC[C@H]([NH2+][C@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206862 402338301 /nfs/dbraw/zinc/33/83/01/402338301.db2.gz LISACHJIEPRHLC-OCCSQVGLSA-N 1 0 310.463 2.426 20 70 DEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC000160225773 402338950 /nfs/dbraw/zinc/33/89/50/402338950.db2.gz MXVHKLSKNFDVLP-CABCVRRESA-N 1 0 306.454 2.072 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000161495919 402389409 /nfs/dbraw/zinc/38/94/09/402389409.db2.gz MYLNSHLOQIDWFU-DHMPVRBDSA-N 1 0 308.397 2.285 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000161496008 402389470 /nfs/dbraw/zinc/38/94/70/402389470.db2.gz MYLNSHLOQIDWFU-YHHLXUBKSA-N 1 0 308.397 2.285 20 70 DEIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160216595 267454719 /nfs/dbraw/zinc/45/47/19/267454719.db2.gz OPCMLMCATOWPAK-GXFFZTMASA-N 1 0 300.324 2.444 20 70 DEIDRO O=C([C@@H]1CCCC[NH2+]1)N1CCc2ccc(Br)cc21 ZINC000159990946 275003713 /nfs/dbraw/zinc/00/37/13/275003713.db2.gz DTDPBKMAZZIHDJ-LBPRGKRZSA-N 1 0 309.207 2.480 20 70 DEIDRO C[C@@]1(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC[NH2+]C1 ZINC000160832912 289145412 /nfs/dbraw/zinc/14/54/12/289145412.db2.gz NBBOPQNUWMRWEH-TZMCWYRMSA-N 1 0 300.324 2.276 20 70 DEIDRO C/C(=C/C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000160024922 518409891 /nfs/dbraw/zinc/40/98/91/518409891.db2.gz RAFJGXAQJCUWMU-VWILAXROSA-N 1 0 320.408 2.192 20 70 DEIDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000161153722 520272777 /nfs/dbraw/zinc/27/27/77/520272777.db2.gz HPAXYMFAVVMEFO-GUYCJALGSA-N 1 0 314.433 2.458 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)NCc1ccc(C)cc1)C(=O)OC ZINC000159652404 521439053 /nfs/dbraw/zinc/43/90/53/521439053.db2.gz PAVCRNYMVJTBGM-UHFFFAOYSA-N 1 0 320.433 2.180 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cc(C)ccc2OC)CC1 ZINC000159556451 521607851 /nfs/dbraw/zinc/60/78/51/521607851.db2.gz LTPPJONLGSELKW-UHFFFAOYSA-N 1 0 319.449 2.283 20 70 DEIDRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000160354937 522101638 /nfs/dbraw/zinc/10/16/38/522101638.db2.gz PKJRSORSLDBBBZ-HOCLYGCPSA-N 1 0 319.405 2.022 20 70 DEIDRO COc1cc(C)cc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000159627305 522239110 /nfs/dbraw/zinc/23/91/10/522239110.db2.gz HOFAWKASQFINEB-CQSZACIVSA-N 1 0 317.433 2.287 20 70 DEIDRO COCC[NH+]1CCC(NC(=O)c2cnc(C(C)C)s2)CC1 ZINC000160378626 523816219 /nfs/dbraw/zinc/81/62/19/523816219.db2.gz LPPWEEDIPKPIDZ-UHFFFAOYSA-N 1 0 311.451 2.107 20 70 DEIDRO COc1cccc(O[C@H](C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161128762 526239760 /nfs/dbraw/zinc/23/97/60/526239760.db2.gz FNHIKNSWEMWILR-MCIONIFRSA-N 1 0 306.406 2.096 20 70 DEIDRO O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[NH2+]CC1 ZINC000160846293 526658568 /nfs/dbraw/zinc/65/85/68/526658568.db2.gz MIANVFLUNLIORC-UHFFFAOYSA-N 1 0 317.364 2.235 20 70 DEIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160956384 527378972 /nfs/dbraw/zinc/37/89/72/527378972.db2.gz MLWVACJBQDVFAQ-CYBMUJFWSA-N 1 0 300.406 2.356 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160885889 539588666 /nfs/dbraw/zinc/58/86/66/539588666.db2.gz FHTFQZYSENXADD-ZIAGYGMSSA-N 1 0 304.390 2.044 20 70 DEIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H](C)c1ccncc1 ZINC000161098439 539589600 /nfs/dbraw/zinc/58/96/00/539589600.db2.gz RSMYNRPMRNPZPC-GOEBONIOSA-N 1 0 307.438 2.048 20 70 DEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc([S@](C)=O)cc1 ZINC000159539093 186125955 /nfs/dbraw/zinc/12/59/55/186125955.db2.gz HMRKYRDIOHIHHD-LRTDBIEQSA-N 1 0 308.447 2.087 20 70 DEIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2cccc(F)c2C1 ZINC000159732181 186138098 /nfs/dbraw/zinc/13/80/98/186138098.db2.gz BLNXPLMRWNBQDB-CYBMUJFWSA-N 1 0 317.408 2.378 20 70 DEIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159738873 186138487 /nfs/dbraw/zinc/13/84/87/186138487.db2.gz CDZLCWRMYOXMQW-ZFWWWQNUSA-N 1 0 311.470 2.052 20 70 DEIDRO CCC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161267256 283320157 /nfs/dbraw/zinc/32/01/57/283320157.db2.gz VPEHMYCAJHJOSI-XHSDSOJGSA-N 1 0 321.465 2.118 20 70 DEIDRO CCOC(=O)C1(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCC1 ZINC000160416930 197408457 /nfs/dbraw/zinc/40/84/57/197408457.db2.gz FIMOXUORSPEBPB-PBHICJAKSA-N 1 0 324.465 2.347 20 70 DEIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000160240218 197394762 /nfs/dbraw/zinc/39/47/62/197394762.db2.gz SLHHPGUCWVSZFO-HUUCEWRRSA-N 1 0 306.406 2.086 20 70 DEIDRO CC(C)(CO)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000160162569 197389436 /nfs/dbraw/zinc/38/94/36/197389436.db2.gz BANVVMWYRGSKBL-LLVKDONJSA-N 1 0 322.232 2.341 20 70 DEIDRO CN(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000160141210 197389108 /nfs/dbraw/zinc/38/91/08/197389108.db2.gz MKIJHRILDMEDSP-GFCCVEGCSA-N 1 0 305.397 2.106 20 70 DEIDRO COc1cc(F)c([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1OC ZINC000159964426 197376749 /nfs/dbraw/zinc/37/67/49/197376749.db2.gz RGKVKCKZIWRSCA-QWRGUYRKSA-N 1 0 310.369 2.020 20 70 DEIDRO COc1ccc(C(C)(C)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000159905054 197372584 /nfs/dbraw/zinc/37/25/84/197372584.db2.gz HLSXTKPFPJPKIL-UHFFFAOYSA-N 1 0 304.434 2.431 20 70 DEIDRO OC[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000159851757 197369456 /nfs/dbraw/zinc/36/94/56/197369456.db2.gz IDSASCYXRJIMEV-ZIAGYGMSSA-N 1 0 303.324 2.066 20 70 DEIDRO O=C(c1cccc2c1OCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159836329 197368542 /nfs/dbraw/zinc/36/85/42/197368542.db2.gz QYOOHQJQCQTBGX-UHFFFAOYSA-N 1 0 302.374 2.020 20 70 DEIDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000159838758 197368236 /nfs/dbraw/zinc/36/82/36/197368236.db2.gz DKHJWCOFCNNDRR-UWVGGRQHSA-N 1 0 304.312 2.413 20 70 DEIDRO CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159821047 197367748 /nfs/dbraw/zinc/36/77/48/197367748.db2.gz WUAWAARJPORGEH-LBPRGKRZSA-N 1 0 302.296 2.395 20 70 DEIDRO Cc1noc(Cl)c1CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000159827342 197367415 /nfs/dbraw/zinc/36/74/15/197367415.db2.gz FECYANHXWKSWBB-UHFFFAOYSA-N 1 0 311.813 2.266 20 70 DEIDRO Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000159810745 197366628 /nfs/dbraw/zinc/36/66/28/197366628.db2.gz WVZHUFJDVDBUOH-WMZOPIPTSA-N 1 0 324.428 2.405 20 70 DEIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000159790905 197364502 /nfs/dbraw/zinc/36/45/02/197364502.db2.gz RTCIFZHHDNJBFC-UHFFFAOYSA-N 1 0 316.380 2.303 20 70 DEIDRO O=C(NCCc1cscn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000159506967 197358887 /nfs/dbraw/zinc/35/88/87/197358887.db2.gz YDBXXNCDKMDILL-UHFFFAOYSA-N 1 0 322.478 2.346 20 70 DEIDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159424500 197352316 /nfs/dbraw/zinc/35/23/16/197352316.db2.gz UAFLDJPJFYVHSC-ZJUUUORDSA-N 1 0 302.296 2.395 20 70 DEIDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)s1 ZINC000159395528 197350573 /nfs/dbraw/zinc/35/05/73/197350573.db2.gz SCKJFMQQXCXESV-CYBMUJFWSA-N 1 0 316.492 2.350 20 70 DEIDRO CC[NH+]1CCN([C@H]2CCN(c3nc(C(C)(C)C)ns3)C2)CC1 ZINC000159370440 197348607 /nfs/dbraw/zinc/34/86/07/197348607.db2.gz QAADDKIDIQNKIO-ZDUSSCGKSA-N 1 0 323.510 2.052 20 70 DEIDRO Cc1ccc(C)c(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159379909 402322894 /nfs/dbraw/zinc/32/28/94/402322894.db2.gz WXVUJSZHDQEEDR-GOSISDBHSA-N 1 0 315.461 2.218 20 70 DEIDRO Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000217139699 402291357 /nfs/dbraw/zinc/29/13/57/402291357.db2.gz LMVLYKLKZKXGLZ-MSOLQXFVSA-N 1 0 320.477 2.378 20 70 DEIDRO CC(C)(CNC(=O)C[NH2+]C[C@@H]1CCCO1)Cc1ccccc1 ZINC000159486989 402324890 /nfs/dbraw/zinc/32/48/90/402324890.db2.gz GTMJJUCTLTWZHU-INIZCTEOSA-N 1 0 304.434 2.140 20 70 DEIDRO CC[NH+]1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160338000 402341632 /nfs/dbraw/zinc/34/16/32/402341632.db2.gz ZQPUHTRCXIRDQA-ZDUSSCGKSA-N 1 0 309.435 2.209 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@@H]1CCOC1 ZINC000160436154 402345228 /nfs/dbraw/zinc/34/52/28/402345228.db2.gz POQXHSCCTREMGC-CRAIPNDOSA-N 1 0 304.434 2.033 20 70 DEIDRO C[C@@H](Sc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160531059 402350090 /nfs/dbraw/zinc/35/00/90/402350090.db2.gz UAGBGGFNIGEAGM-CABCVRRESA-N 1 0 322.474 2.130 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000160659436 402355298 /nfs/dbraw/zinc/35/52/98/402355298.db2.gz WXZIPCXLFSCESD-LLVKDONJSA-N 1 0 300.761 2.068 20 70 DEIDRO O=C(CC/C=C/c1ccccc1)NCC1CC[NH+](CCO)CC1 ZINC000160660032 402355963 /nfs/dbraw/zinc/35/59/63/402355963.db2.gz VQBXKQFUPCJVNE-XBXARRHUSA-N 1 0 316.445 2.301 20 70 DEIDRO O=C(CCc1ccc(Cl)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160716186 402357749 /nfs/dbraw/zinc/35/77/49/402357749.db2.gz HKHQKATYVUTBQP-UHFFFAOYSA-N 1 0 324.852 2.093 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000160813694 402361217 /nfs/dbraw/zinc/36/12/17/402361217.db2.gz QBICGCMEIXBWAU-GXSJLCMTSA-N 1 0 300.761 2.067 20 70 DEIDRO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940801 402366391 /nfs/dbraw/zinc/36/63/91/402366391.db2.gz RVVLLKFOQNRURP-JKIFEVAISA-N 1 0 324.490 2.050 20 70 DEIDRO CCC(O)(CC)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160959269 402367316 /nfs/dbraw/zinc/36/73/16/402367316.db2.gz IFWYBQCBEUATRP-OAHLLOKOSA-N 1 0 313.486 2.347 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)CCOc2ccc(F)cc2)CC1 ZINC000161035084 402370344 /nfs/dbraw/zinc/37/03/44/402370344.db2.gz JPXNATQSERNLOY-UHFFFAOYSA-N 1 0 308.397 2.443 20 70 DEIDRO CC[C@@H](C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)[NH+](C)C ZINC000161101677 402372799 /nfs/dbraw/zinc/37/27/99/402372799.db2.gz IUWAHVIQXMJSLR-HNNXBMFYSA-N 1 0 319.449 2.431 20 70 DEIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000161145541 402375514 /nfs/dbraw/zinc/37/55/14/402375514.db2.gz AYUNZJCJQMDSBM-QGZVFWFLSA-N 1 0 317.433 2.299 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000161178520 402376681 /nfs/dbraw/zinc/37/66/81/402376681.db2.gz MLXVZQRAVRIYEW-XQQFMLRXSA-N 1 0 302.484 2.024 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC000161182490 402376727 /nfs/dbraw/zinc/37/67/27/402376727.db2.gz BGCDEXVIQUEIAV-HZPDHXFCSA-N 1 0 323.481 2.016 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000161243943 402378907 /nfs/dbraw/zinc/37/89/07/402378907.db2.gz QHHDCDRIPRWWGX-UHFFFAOYSA-N 1 0 320.437 2.161 20 70 DEIDRO COc1ccc(-c2nc(SCCn3ccnc3)n[nH]2)cc1 ZINC000159710624 402329019 /nfs/dbraw/zinc/32/90/19/402329019.db2.gz AHNXWNBJOYHXDG-UHFFFAOYSA-N 1 0 301.375 2.469 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCNC(=O)CC2CCCCC2)CC1 ZINC000161487615 402389394 /nfs/dbraw/zinc/38/93/94/402389394.db2.gz IQBXXJWYOCREMJ-UHFFFAOYSA-N 1 0 323.481 2.110 20 70 DEIDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159589605 276069773 /nfs/dbraw/zinc/06/97/73/276069773.db2.gz RRVFGDCQCFMDFB-CVEARBPZSA-N 1 0 305.422 2.158 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161394298 278132783 /nfs/dbraw/zinc/13/27/83/278132783.db2.gz WRWRFTMBTRRYMY-QWHCGFSZSA-N 1 0 308.447 2.485 20 70 DEIDRO COC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793193 293158570 /nfs/dbraw/zinc/15/85/70/293158570.db2.gz XDWLHGHVBRQKKK-IRXDYDNUSA-N 1 0 302.418 2.365 20 70 DEIDRO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000161329035 519363996 /nfs/dbraw/zinc/36/39/96/519363996.db2.gz FKEYBEUABAZPRU-IRXDYDNUSA-N 1 0 304.434 2.425 20 70 DEIDRO CC[NH+](CC)CCCNC(=O)NCCc1nc(C)c(C)s1 ZINC000160662157 520614814 /nfs/dbraw/zinc/61/48/14/520614814.db2.gz WLZPEAUKOWVPKB-UHFFFAOYSA-N 1 0 312.483 2.334 20 70 DEIDRO CC[NH+]1CCC(NC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159574417 521575668 /nfs/dbraw/zinc/57/56/68/521575668.db2.gz LUKLALHOHDQINR-NSHDSACASA-N 1 0 308.426 2.178 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000161187927 522050232 /nfs/dbraw/zinc/05/02/32/522050232.db2.gz OXVBTUKESIOBSX-DOTOQJQBSA-N 1 0 318.417 2.068 20 70 DEIDRO COc1ccnc(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000160922927 524842648 /nfs/dbraw/zinc/84/26/48/524842648.db2.gz GRRBYQSDLCRRTI-UHFFFAOYSA-N 1 0 318.465 2.088 20 70 DEIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000160409037 525641627 /nfs/dbraw/zinc/64/16/27/525641627.db2.gz NGRNAZIDIXHDJV-TZMCWYRMSA-N 1 0 306.435 2.032 20 70 DEIDRO [NH3+]CCCC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159770214 527171492 /nfs/dbraw/zinc/17/14/92/527171492.db2.gz XOTUPVTZZDMTFD-UHFFFAOYSA-N 1 0 316.361 2.203 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSc2ccc(F)c(F)c2)C1 ZINC000160926376 539588208 /nfs/dbraw/zinc/58/82/08/539588208.db2.gz JUSVAQAPDQJZIE-NXEZZACHSA-N 1 0 300.374 2.443 20 70 DEIDRO CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)=C2 ZINC000161083411 539589152 /nfs/dbraw/zinc/58/91/52/539589152.db2.gz YMGSHYIMMKQYKT-LSDHHAIUSA-N 1 0 316.401 2.247 20 70 DEIDRO CC(C)OCC[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000160195941 539585582 /nfs/dbraw/zinc/58/55/82/539585582.db2.gz OCYKDVANXCIDKJ-AWEZNQCLSA-N 1 0 301.814 2.232 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000161356611 539591202 /nfs/dbraw/zinc/59/12/02/539591202.db2.gz KDZPHIJAWNWDPR-HIFRSBDPSA-N 1 0 301.390 2.035 20 70 DEIDRO CC[N@H+](CCNS(=O)(=O)c1c(C)cc(F)cc1C)C1CC1 ZINC000217886773 539726551 /nfs/dbraw/zinc/72/65/51/539726551.db2.gz FPDOKFFWZXYSDD-UHFFFAOYSA-N 1 0 314.426 2.205 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159660702 186133496 /nfs/dbraw/zinc/13/34/96/186133496.db2.gz CGCUBZOAEWZSCG-CHWSQXEVSA-N 1 0 322.453 2.426 20 70 DEIDRO COC(=O)c1cc(CN2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000161312336 355968938 /nfs/dbraw/zinc/96/89/38/355968938.db2.gz OLYKRLPWDVYHAK-UHFFFAOYSA-N 1 0 315.373 2.092 20 70 DEIDRO C[C@]1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCC[NH2+]C1 ZINC000161354850 197488318 /nfs/dbraw/zinc/48/83/18/197488318.db2.gz SWBMXUBIYGQGGH-SFHVURJKSA-N 1 0 315.417 2.137 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000161203749 197474634 /nfs/dbraw/zinc/47/46/34/197474634.db2.gz IXCPXBDONHMFNM-UHFFFAOYSA-N 1 0 322.405 2.332 20 70 DEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000160631609 197427842 /nfs/dbraw/zinc/42/78/42/197427842.db2.gz JPEKIZVICVKUTI-IRXDYDNUSA-N 1 0 320.408 2.323 20 70 DEIDRO O=C(Cc1ccsc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160303525 197399187 /nfs/dbraw/zinc/39/91/87/197399187.db2.gz GYUNDYDWZWUTJC-JKSUJKDBSA-N 1 0 322.474 2.175 20 70 DEIDRO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCn3ccnc3C2)([NH+](C)C)C1 ZINC000160310582 197398884 /nfs/dbraw/zinc/39/88/84/197398884.db2.gz ANIWSRWHIZGXFR-IIDMSEBBSA-N 1 0 318.465 2.072 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000160236489 197394957 /nfs/dbraw/zinc/39/49/57/197394957.db2.gz USGNNDBTIICPLH-GFCCVEGCSA-N 1 0 317.364 2.363 20 70 DEIDRO CC[C@H](C)CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160163893 197390549 /nfs/dbraw/zinc/39/05/49/197390549.db2.gz SHAGGEBZSNOSMT-GJZGRUSLSA-N 1 0 302.484 2.313 20 70 DEIDRO CC[C@@H](Cc1ccccc1Br)C(=O)NCCC[NH3+] ZINC000160067335 197383299 /nfs/dbraw/zinc/38/32/99/197383299.db2.gz GNHBTNNZYWIWMB-NSHDSACASA-N 1 0 313.239 2.483 20 70 DEIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160067769 197383309 /nfs/dbraw/zinc/38/33/09/197383309.db2.gz GGMHRJGQEDGBEF-CYBMUJFWSA-N 1 0 319.449 2.104 20 70 DEIDRO CN(CCCc1nc(-c2cccs2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160061376 197382864 /nfs/dbraw/zinc/38/28/64/197382864.db2.gz FKWIVIWYIAGBOJ-LBPRGKRZSA-N 1 0 306.435 2.400 20 70 DEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)C ZINC000160000519 197378983 /nfs/dbraw/zinc/37/89/83/197378983.db2.gz BNQVOGVXGHZUFE-HNNXBMFYSA-N 1 0 318.465 2.097 20 70 DEIDRO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000159996466 197378359 /nfs/dbraw/zinc/37/83/59/197378359.db2.gz DNVFZPKOZSEJIW-NJAFHUGGSA-N 1 0 316.445 2.092 20 70 DEIDRO Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000159918125 197374358 /nfs/dbraw/zinc/37/43/58/197374358.db2.gz AHZYBGJSPSIWPO-ZDUSSCGKSA-N 1 0 314.389 2.211 20 70 DEIDRO Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000159810859 197366505 /nfs/dbraw/zinc/36/65/05/197366505.db2.gz WVZHUFJDVDBUOH-FUHWJXTLSA-N 1 0 324.428 2.405 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2F)c1 ZINC000159775276 197363711 /nfs/dbraw/zinc/36/37/11/197363711.db2.gz XGLWOMPCMWVARB-NEPJUHHUSA-N 1 0 302.353 2.386 20 70 DEIDRO O=C(NCCc1cscn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159508699 197358766 /nfs/dbraw/zinc/35/87/66/197358766.db2.gz LHWOYYHJWLNNAP-OAHLLOKOSA-N 1 0 322.478 2.346 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000159366741 402322190 /nfs/dbraw/zinc/32/21/90/402322190.db2.gz QEZUMQIIBHPCGD-HZPDHXFCSA-N 1 0 321.469 2.348 20 70 DEIDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccs2)CC1 ZINC000160312501 402340322 /nfs/dbraw/zinc/34/03/22/402340322.db2.gz VPNCVIHAVGPWOV-AWEZNQCLSA-N 1 0 307.463 2.271 20 70 DEIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160327045 402341189 /nfs/dbraw/zinc/34/11/89/402341189.db2.gz BWEPIEKYYFBSEE-YPMHNXCESA-N 1 0 316.405 2.269 20 70 DEIDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]1C(N)=O ZINC000160346235 402341592 /nfs/dbraw/zinc/34/15/92/402341592.db2.gz SSTJEBHYGFHVGU-INIZCTEOSA-N 1 0 303.450 2.094 20 70 DEIDRO COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)CC[NH2+]CC1 ZINC000161423215 402387049 /nfs/dbraw/zinc/38/70/49/402387049.db2.gz IYFJPGNIZVEHQS-GDBMZVCRSA-N 1 0 302.418 2.160 20 70 DEIDRO Cc1noc2ncc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cc12 ZINC000160449476 402345949 /nfs/dbraw/zinc/34/59/49/402345949.db2.gz KYVXABATCMKBEB-CQSZACIVSA-N 1 0 316.405 2.381 20 70 DEIDRO Cc1ccc2oc(C(=O)NCC3CC[NH+](CCO)CC3)cc2c1 ZINC000160585171 402352567 /nfs/dbraw/zinc/35/25/67/402352567.db2.gz IGSHWSGTPPFGKY-UHFFFAOYSA-N 1 0 316.401 2.175 20 70 DEIDRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161440346 402387585 /nfs/dbraw/zinc/38/75/85/402387585.db2.gz XTIZHPITFMEPFL-MRXNPFEDSA-N 1 0 323.824 2.127 20 70 DEIDRO COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000160664726 402356389 /nfs/dbraw/zinc/35/63/89/402356389.db2.gz UDXSMGKKFGUQHQ-KRWDZBQOSA-N 1 0 307.390 2.126 20 70 DEIDRO CCC(CC)c1cc(C(=O)NCCCC[NH+]2CCOCC2)on1 ZINC000160677173 402356935 /nfs/dbraw/zinc/35/69/35/402356935.db2.gz PQMDLVJYGRBDRV-UHFFFAOYSA-N 1 0 323.437 2.420 20 70 DEIDRO NC(=O)[C@@H]([NH2+]CCCOc1ccccc1)c1ccc(F)cc1 ZINC000160714955 402358067 /nfs/dbraw/zinc/35/80/67/402358067.db2.gz DUSQGVFIPFLHDC-INIZCTEOSA-N 1 0 302.349 2.411 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000160882370 402364094 /nfs/dbraw/zinc/36/40/94/402364094.db2.gz QQMNMFYEIDBWHF-CQSZACIVSA-N 1 0 307.442 2.393 20 70 DEIDRO CC(=O)Nc1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161026232 402370019 /nfs/dbraw/zinc/37/00/19/402370019.db2.gz KJVOUNYNIGADAN-UHFFFAOYSA-N 1 0 318.417 2.463 20 70 DEIDRO CCCC[C@H]([NH2+]Cc1cnn(C)c1)C(=O)Nc1cc(C)on1 ZINC000161141303 402374573 /nfs/dbraw/zinc/37/45/73/402374573.db2.gz XXMCCPXWMMVVIT-ZDUSSCGKSA-N 1 0 305.382 2.004 20 70 DEIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1cc(C)ccc1C ZINC000161135487 402374599 /nfs/dbraw/zinc/37/45/99/402374599.db2.gz YWQDYECRTYKTLC-KRWDZBQOSA-N 1 0 317.433 2.299 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000161233684 402378291 /nfs/dbraw/zinc/37/82/91/402378291.db2.gz PXEZLVQOMFLHRS-ZDUSSCGKSA-N 1 0 322.409 2.339 20 70 DEIDRO C[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)[NH+]1CCCCCC1 ZINC000161358069 402384525 /nfs/dbraw/zinc/38/45/25/402384525.db2.gz HLLNKROKOCFZDD-HZPDHXFCSA-N 1 0 316.449 2.041 20 70 DEIDRO CCN(CCC(=O)c1ccc(C)cc1)[C@@H](C)CS(C)(=O)=O ZINC000159657368 402327635 /nfs/dbraw/zinc/32/76/35/402327635.db2.gz AJEJUUFJNQTRBV-AWEZNQCLSA-N 1 0 311.447 2.323 20 70 DEIDRO CC(=O)Nc1cccc(NC(=O)CN(C)[C@@H]2CCSC2)c1C ZINC000159717947 402328653 /nfs/dbraw/zinc/32/86/53/402328653.db2.gz PMBVIKVIJGSVFC-CYBMUJFWSA-N 1 0 321.446 2.329 20 70 DEIDRO c1cn(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cn1 ZINC000159793493 402330937 /nfs/dbraw/zinc/33/09/37/402330937.db2.gz VHEJBQAULCICGG-UHFFFAOYSA-N 1 0 324.388 2.208 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159801328 402331150 /nfs/dbraw/zinc/33/11/50/402331150.db2.gz RRMJAIMETUBKJV-FZMZJTMJSA-N 1 0 308.426 2.036 20 70 DEIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000159832978 402331833 /nfs/dbraw/zinc/33/18/33/402331833.db2.gz KVTJNGBKVGGOOV-GOSISDBHSA-N 1 0 316.445 2.364 20 70 DEIDRO CCOCCC[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000160185444 402337585 /nfs/dbraw/zinc/33/75/85/402337585.db2.gz GCZRFKOZCWHASF-UHFFFAOYSA-N 1 0 304.434 2.108 20 70 DEIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160249887 402339209 /nfs/dbraw/zinc/33/92/09/402339209.db2.gz SYPAVROXHCKDTI-UAGQMJEPSA-N 1 0 321.465 2.071 20 70 DEIDRO CCN(C)C(=O)CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159677881 276302305 /nfs/dbraw/zinc/30/23/05/276302305.db2.gz QVOFCPRGXBRLSY-GOSISDBHSA-N 1 0 302.418 2.029 20 70 DEIDRO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000161088175 300123801 /nfs/dbraw/zinc/12/38/01/300123801.db2.gz BAUDSCOZAFHVLD-WMLDXEAASA-N 1 0 302.418 2.365 20 70 DEIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000160664296 520615831 /nfs/dbraw/zinc/61/58/31/520615831.db2.gz MGTDUYYQOMNGOR-IKGGRYGDSA-N 1 0 301.434 2.356 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000160967571 522983222 /nfs/dbraw/zinc/98/32/22/522983222.db2.gz CHZYOUPCGCNKSD-QGZVFWFLSA-N 1 0 321.465 2.489 20 70 DEIDRO CC[C@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)[NH+](C)C ZINC000159414859 523785398 /nfs/dbraw/zinc/78/53/98/523785398.db2.gz AUPFZPCBCFRZHG-MRXNPFEDSA-N 1 0 314.433 2.446 20 70 DEIDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(CCOc2ccccc2)CC1 ZINC000161295340 523823565 /nfs/dbraw/zinc/82/35/65/523823565.db2.gz IKISYCQCIMXILT-GOSISDBHSA-N 1 0 317.477 2.167 20 70 DEIDRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714783 525667797 /nfs/dbraw/zinc/66/77/97/525667797.db2.gz UZGBXBCEWSQDJN-RHSMWYFYSA-N 1 0 312.417 2.434 20 70 DEIDRO COc1cccc(OCCCNC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000161360458 537133904 /nfs/dbraw/zinc/13/39/04/537133904.db2.gz FBSHGAQWVVXJKF-KRWDZBQOSA-N 1 0 314.385 2.280 20 70 DEIDRO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000161281481 539590473 /nfs/dbraw/zinc/59/04/73/539590473.db2.gz IPJRQRNGWCEEQD-RCBQFDQVSA-N 1 0 308.397 2.155 20 70 DEIDRO CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161174083 539589003 /nfs/dbraw/zinc/58/90/03/539589003.db2.gz RGUFFCYMIWZSBJ-GJZGRUSLSA-N 1 0 318.417 2.434 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCCCC2)C1 ZINC000161218433 539590334 /nfs/dbraw/zinc/59/03/34/539590334.db2.gz QUWNFRCWDCHWSI-ZIAGYGMSSA-N 1 0 302.422 2.072 20 70 DEIDRO CC(C)OCC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000160218569 539585536 /nfs/dbraw/zinc/58/55/36/539585536.db2.gz WGOWHJGBKNTJPO-OAHLLOKOSA-N 1 0 301.814 2.232 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000159548065 186126311 /nfs/dbraw/zinc/12/63/11/186126311.db2.gz AATJQYKTYIYUBX-OAHLLOKOSA-N 1 0 317.437 2.407 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159660837 186133769 /nfs/dbraw/zinc/13/37/69/186133769.db2.gz CGCUBZOAEWZSCG-STQMWFEESA-N 1 0 322.453 2.426 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)c(OC)c2)CC1 ZINC000159737335 186138414 /nfs/dbraw/zinc/13/84/14/186138414.db2.gz NQQJPFYGTXUKGV-UHFFFAOYSA-N 1 0 305.422 2.241 20 70 DEIDRO c1cn(CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000159740714 186138633 /nfs/dbraw/zinc/13/86/33/186138633.db2.gz XEYMFVFLTCEIED-HNNXBMFYSA-N 1 0 314.437 2.081 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159949924 355963243 /nfs/dbraw/zinc/96/32/43/355963243.db2.gz FDDPIWKUFVEPGH-UHFFFAOYSA-N 1 0 319.449 2.106 20 70 DEIDRO CC(C)[NH2+]CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160937175 355967915 /nfs/dbraw/zinc/96/79/15/355967915.db2.gz UTZAZUBGVKINLF-UHFFFAOYSA-N 1 0 322.796 2.394 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161190857 197473355 /nfs/dbraw/zinc/47/33/55/197473355.db2.gz SQVHUISQDPGJSL-DLOVCJGASA-N 1 0 316.327 2.305 20 70 DEIDRO C[C@](O)(CNc1cc[nH+]cc1C(N)=O)c1ccccc1Cl ZINC000160157887 197390116 /nfs/dbraw/zinc/39/01/16/197390116.db2.gz KKCFBEXPPGYWKJ-HNNXBMFYSA-N 1 0 305.765 2.154 20 70 DEIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)CC(C)C ZINC000160138207 197389272 /nfs/dbraw/zinc/38/92/72/197389272.db2.gz RWFDCYYACQLBOE-DOTOQJQBSA-N 1 0 313.486 2.299 20 70 DEIDRO C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160066032 197383716 /nfs/dbraw/zinc/38/37/16/197383716.db2.gz HNBMITXOFBQGSH-ZIAGYGMSSA-N 1 0 303.324 2.330 20 70 DEIDRO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000159912302 197372756 /nfs/dbraw/zinc/37/27/56/197372756.db2.gz VFGCPEPAAUTRRK-GJZGRUSLSA-N 1 0 322.474 2.422 20 70 DEIDRO CC(C)[C@@H](C(=O)NC[C@H](C[C@H](C)O)c1ccccc1)[NH+](C)C ZINC000159766348 197363011 /nfs/dbraw/zinc/36/30/11/197363011.db2.gz VHDMBQWKKBMUCA-XIRDDKMYSA-N 1 0 306.450 2.244 20 70 DEIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159477415 197357088 /nfs/dbraw/zinc/35/70/88/197357088.db2.gz AEYUAOURQJHDFH-ZDUSSCGKSA-N 1 0 303.406 2.308 20 70 DEIDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159424644 197352790 /nfs/dbraw/zinc/35/27/90/197352790.db2.gz UAFLDJPJFYVHSC-UWVGGRQHSA-N 1 0 302.296 2.395 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000159364194 197347577 /nfs/dbraw/zinc/34/75/77/197347577.db2.gz VXROTQLJCFPNJO-ZJUUUORDSA-N 1 0 304.312 2.345 20 70 DEIDRO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H]3C[NH3+])c2)n1 ZINC000160210398 291862121 /nfs/dbraw/zinc/86/21/21/291862121.db2.gz FKRKIEICBJCZBV-KRWDZBQOSA-N 1 0 312.417 2.112 20 70 DEIDRO COCCN(C)CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000159373850 402322093 /nfs/dbraw/zinc/32/20/93/402322093.db2.gz HPTFNYOFQIFMOS-OAHLLOKOSA-N 1 0 319.449 2.042 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)NCCCn2ccnc2)n1 ZINC000159506888 402324662 /nfs/dbraw/zinc/32/46/62/402324662.db2.gz DBJDZQYDDDJWHJ-UHFFFAOYSA-N 1 0 304.398 2.338 20 70 DEIDRO CCc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1CC(C)C ZINC000160335327 402341779 /nfs/dbraw/zinc/34/17/79/402341779.db2.gz VXCDQERBQZRNTG-UHFFFAOYSA-N 1 0 308.470 2.419 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC000160372341 402342800 /nfs/dbraw/zinc/34/28/00/402342800.db2.gz GQDXCGWVHFLUTL-OAHLLOKOSA-N 1 0 314.433 2.342 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000160457126 402346518 /nfs/dbraw/zinc/34/65/18/402346518.db2.gz QAIOXUJKGPGTOT-UHFFFAOYSA-N 1 0 300.406 2.428 20 70 DEIDRO CCc1ccc([C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160464481 402346640 /nfs/dbraw/zinc/34/66/40/402346640.db2.gz CRBKEWMECQHKMH-CRAIPNDOSA-N 1 0 318.461 2.316 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160484681 402347317 /nfs/dbraw/zinc/34/73/17/402347317.db2.gz OTNRUEDIBNVWFN-XJKSGUPXSA-N 1 0 322.416 2.438 20 70 DEIDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cnn1CC(C)C ZINC000160525094 402349195 /nfs/dbraw/zinc/34/91/95/402349195.db2.gz CFAWTQPCUKAAFS-OAHLLOKOSA-N 1 0 304.438 2.158 20 70 DEIDRO Cc1c(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC000160524172 402349568 /nfs/dbraw/zinc/34/95/68/402349568.db2.gz VWSRLDKIZKQXCB-ZDUSSCGKSA-N 1 0 321.469 2.038 20 70 DEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc2ccccc2c1 ZINC000160662876 402356197 /nfs/dbraw/zinc/35/61/97/402356197.db2.gz QSLFMSDKETUQMI-UHFFFAOYSA-N 1 0 312.413 2.274 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)ccc1O ZINC000160670842 402356268 /nfs/dbraw/zinc/35/62/68/402356268.db2.gz FGPMJTWIVYEZDS-INIZCTEOSA-N 1 0 306.406 2.432 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000160696925 402357179 /nfs/dbraw/zinc/35/71/79/402357179.db2.gz AWFAGFSYYRZFGS-LBPRGKRZSA-N 1 0 305.765 2.429 20 70 DEIDRO Cn1cnnc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000160708997 402357757 /nfs/dbraw/zinc/35/77/57/402357757.db2.gz LUVRKIPBCGTDMK-UHFFFAOYSA-N 1 0 321.428 2.286 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1 ZINC000160810852 402361530 /nfs/dbraw/zinc/36/15/30/402361530.db2.gz HPOBNPJPTHSDER-GFCCVEGCSA-N 1 0 323.824 2.368 20 70 DEIDRO Cc1noc2nc(C(C)C)cc(C(=O)N3CCC[NH2+]CC3)c12 ZINC000160836075 402362631 /nfs/dbraw/zinc/36/26/31/402362631.db2.gz ADUBZZPODXCSBX-UHFFFAOYSA-N 1 0 302.378 2.090 20 70 DEIDRO CC[C@H]1COCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160931217 402365910 /nfs/dbraw/zinc/36/59/10/402365910.db2.gz QHSWOFOWHFEDKM-HOTGVXAUSA-N 1 0 311.470 2.317 20 70 DEIDRO CCC(O)(CC)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160959137 402367095 /nfs/dbraw/zinc/36/70/95/402367095.db2.gz IFWYBQCBEUATRP-HNNXBMFYSA-N 1 0 313.486 2.347 20 70 DEIDRO C[C@H]1CN(CCC[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC000161461455 402388349 /nfs/dbraw/zinc/38/83/49/402388349.db2.gz FILKNHGLKQZHCG-AWEZNQCLSA-N 1 0 307.404 2.431 20 70 DEIDRO CSC1(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)CCOCC1 ZINC000161213959 402377663 /nfs/dbraw/zinc/37/76/63/402377663.db2.gz WIWLSLSWCBKKSE-CYBMUJFWSA-N 1 0 314.495 2.041 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000161253644 402379541 /nfs/dbraw/zinc/37/95/41/402379541.db2.gz WQDVTBNZKDLBIB-HNNXBMFYSA-N 1 0 318.421 2.041 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000161279445 402380361 /nfs/dbraw/zinc/38/03/61/402380361.db2.gz GINJDURUUJTUFH-UHFFFAOYSA-N 1 0 323.412 2.366 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161328126 402382559 /nfs/dbraw/zinc/38/25/59/402382559.db2.gz ONDMTEFUPTYBKQ-IRXDYDNUSA-N 1 0 302.418 2.194 20 70 DEIDRO O=C(NCCCN1CCOCC1)c1cc(F)c(Cl)cc1F ZINC000161366756 402384755 /nfs/dbraw/zinc/38/47/55/402384755.db2.gz GUQPLKDSMHYOMC-UHFFFAOYSA-N 1 0 318.751 2.070 20 70 DEIDRO CCCCNC(=O)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159628285 402326891 /nfs/dbraw/zinc/32/68/91/402326891.db2.gz CRKUHHRTXPLISZ-IBGZPJMESA-N 1 0 316.445 2.467 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)OC ZINC000159658405 402327969 /nfs/dbraw/zinc/32/79/69/402327969.db2.gz NAGFKFFPFMCULJ-ZIAGYGMSSA-N 1 0 312.454 2.345 20 70 DEIDRO C[C@@H](SCCN1CCOCC1)C(=O)NC1CCC(C)CC1 ZINC000159955998 402334354 /nfs/dbraw/zinc/33/43/54/402334354.db2.gz ZHNDMUVMYYMMPR-SHARSMKWSA-N 1 0 314.495 2.135 20 70 DEIDRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCCC[NH3+] ZINC000160178995 402337682 /nfs/dbraw/zinc/33/76/82/402337682.db2.gz JDWLVXLPRFDAQT-UHFFFAOYSA-N 1 0 300.406 2.248 20 70 DEIDRO CSC[C@@H](CCO)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000160219154 402338902 /nfs/dbraw/zinc/33/89/02/402338902.db2.gz ZGMFDVPQFXOKGG-GOSISDBHSA-N 1 0 322.518 2.397 20 70 DEIDRO O=C(Oc1ccccc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000161499536 402389965 /nfs/dbraw/zinc/38/99/65/402389965.db2.gz ASVDZSHXUBLDQG-INIZCTEOSA-N 1 0 304.390 2.372 20 70 DEIDRO CC[C@@](C)(CCO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160928553 287385223 /nfs/dbraw/zinc/38/52/23/287385223.db2.gz KEOZRMVDOOUHCX-RDJZCZTQSA-N 1 0 313.486 2.347 20 70 DEIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000161469591 281394364 /nfs/dbraw/zinc/39/43/64/281394364.db2.gz SFALZMSMOAJHBX-BFYDXBDKSA-N 1 0 302.418 2.283 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160509816 293543408 /nfs/dbraw/zinc/54/34/08/293543408.db2.gz BPURFPFCWWUGFH-FZMZJTMJSA-N 1 0 317.412 2.457 20 70 DEIDRO C[C@@]1(C(=O)NCC2(c3ccccc3)CCOCC2)CCC[NH2+]C1 ZINC000161434269 297868149 /nfs/dbraw/zinc/86/81/49/297868149.db2.gz UINVMJUMLVBTOK-GOSISDBHSA-N 1 0 316.445 2.241 20 70 DEIDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCn1ccnc1 ZINC000159790074 518834871 /nfs/dbraw/zinc/83/48/71/518834871.db2.gz QMXKGHPVTKAPDW-CQSZACIVSA-N 1 0 308.426 2.262 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160937825 520720565 /nfs/dbraw/zinc/72/05/65/520720565.db2.gz MYCAGFSGUMHFHB-LLVKDONJSA-N 1 0 308.769 2.134 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2)CC1 ZINC000159860587 521607762 /nfs/dbraw/zinc/60/77/62/521607762.db2.gz SXDBLSBDULXSRL-HNNXBMFYSA-N 1 0 305.422 2.191 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1 ZINC000159623761 521608796 /nfs/dbraw/zinc/60/87/96/521608796.db2.gz IKZIZQJKWDTWHS-MRXNPFEDSA-N 1 0 318.465 2.249 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1F ZINC000160196176 282177568 /nfs/dbraw/zinc/17/75/68/282177568.db2.gz NDLZLVRKWXEVKI-GFCCVEGCSA-N 1 0 314.788 2.056 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccccc2Br)C1 ZINC000160889876 539588641 /nfs/dbraw/zinc/58/86/41/539588641.db2.gz PVSKNNYGTPKNKI-RYUDHWBXSA-N 1 0 311.223 2.378 20 70 DEIDRO [NH3+][C@H](CCC(=O)NCCCOC[C@@H]1CCOC1)c1ccccc1 ZINC000160583645 539586942 /nfs/dbraw/zinc/58/69/42/539586942.db2.gz VBAWVUDLAFKASG-DOTOQJQBSA-N 1 0 320.433 2.026 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000161356329 539590872 /nfs/dbraw/zinc/59/08/72/539590872.db2.gz KDZPHIJAWNWDPR-ZFWWWQNUSA-N 1 0 301.390 2.035 20 70 DEIDRO C[C@H](CNC(=O)C[NH3+])Sc1ccc(Br)cc1 ZINC000159653528 186133239 /nfs/dbraw/zinc/13/32/39/186133239.db2.gz IJRJPHWPNUFAKL-MRVPVSSYSA-N 1 0 303.225 2.005 20 70 DEIDRO C[C@H](CNC(=O)NC1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000159756433 186139762 /nfs/dbraw/zinc/13/97/62/186139762.db2.gz BZWADMABFDPIAZ-ILXRZTDVSA-N 1 0 311.470 2.364 20 70 DEIDRO CC1(C)Cc2cc(C[NH+]3CCC(CC(N)=O)CC3)ccc2O1 ZINC000159752785 186140025 /nfs/dbraw/zinc/14/00/25/186140025.db2.gz UUWVNTFWAUJEQS-UHFFFAOYSA-N 1 0 302.418 2.488 20 70 DEIDRO CC[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1F ZINC000160902899 355966696 /nfs/dbraw/zinc/96/66/96/355966696.db2.gz FRORKERXTOGBLB-ZDUSSCGKSA-N 1 0 320.405 2.333 20 70 DEIDRO C[C@H](O)[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160934839 355968021 /nfs/dbraw/zinc/96/80/21/355968021.db2.gz BNNNFNSHQSEKAQ-GOEBONIOSA-N 1 0 310.482 2.364 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159499332 283858208 /nfs/dbraw/zinc/85/82/08/283858208.db2.gz HSWZMMAAMFHVOH-QMMMGPOBSA-N 1 0 318.261 2.472 20 70 DEIDRO O=C(C[C@@H]1C[NH2+]CCO1)N1CC2(CCCC2)c2ccccc21 ZINC000159368985 283861333 /nfs/dbraw/zinc/86/13/33/283861333.db2.gz PWDFKECHQCLMNZ-CQSZACIVSA-N 1 0 300.402 2.224 20 70 DEIDRO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCn3ccnc3C2)([NH+](C)C)C1 ZINC000160310834 197399888 /nfs/dbraw/zinc/39/98/88/197399888.db2.gz ANIWSRWHIZGXFR-RKVPGOIHSA-N 1 0 318.465 2.072 20 70 DEIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000160224770 197393613 /nfs/dbraw/zinc/39/36/13/197393613.db2.gz SAWKJRBPDADZLF-PIGZYNQJSA-N 1 0 313.401 2.226 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000159917251 197374013 /nfs/dbraw/zinc/37/40/13/197374013.db2.gz SSMIJCKPUFPEEN-MRXNPFEDSA-N 1 0 304.415 2.198 20 70 DEIDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838149 197367958 /nfs/dbraw/zinc/36/79/58/197367958.db2.gz UKRWFHDKJBAFPM-ZJUUUORDSA-N 1 0 304.312 2.413 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000159669827 291657207 /nfs/dbraw/zinc/65/72/07/291657207.db2.gz OXRHEWQEQDJENG-UONOGXRCSA-N 1 0 312.454 2.250 20 70 DEIDRO C[C@H](CNC(=O)N(C)CC1CCOCC1)[NH+]1CCC(C)CC1 ZINC000159785456 291658861 /nfs/dbraw/zinc/65/88/61/291658861.db2.gz MYXGWPZRBJAAQL-OAHLLOKOSA-N 1 0 311.470 2.175 20 70 DEIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159415098 197352741 /nfs/dbraw/zinc/35/27/41/197352741.db2.gz ATQHDRSRIAVRGP-CYBMUJFWSA-N 1 0 306.406 2.286 20 70 DEIDRO O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000159379669 197350047 /nfs/dbraw/zinc/35/00/47/197350047.db2.gz DETCVYUBBKYHPI-CQSZACIVSA-N 1 0 322.380 2.322 20 70 DEIDRO Cc1cc(CN2CCC[C@@H]2C(N)=O)sc1Br ZINC000160334643 402341028 /nfs/dbraw/zinc/34/10/28/402341028.db2.gz GSKBSXLWKNIRKX-SECBINFHSA-N 1 0 303.225 2.269 20 70 DEIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@](C)(O)C1 ZINC000160356514 402342328 /nfs/dbraw/zinc/34/23/28/402342328.db2.gz VJPNCRIJFRRYHQ-DOTOQJQBSA-N 1 0 311.470 2.197 20 70 DEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160365105 402342738 /nfs/dbraw/zinc/34/27/38/402342738.db2.gz CYGLSAVDVBIRTR-SNVBAGLBSA-N 1 0 321.347 2.297 20 70 DEIDRO c1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160442723 402345926 /nfs/dbraw/zinc/34/59/26/402345926.db2.gz HKVSFBGBTUXXAY-AWEZNQCLSA-N 1 0 322.416 2.252 20 70 DEIDRO CCc1nc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)s1 ZINC000160524920 402349564 /nfs/dbraw/zinc/34/95/64/402349564.db2.gz TZIWAEJBSDCVNJ-SSDOTTSWSA-N 1 0 309.357 2.343 20 70 DEIDRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161440218 402387542 /nfs/dbraw/zinc/38/75/42/402387542.db2.gz XTIZHPITFMEPFL-INIZCTEOSA-N 1 0 323.824 2.127 20 70 DEIDRO CC[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160651604 402355400 /nfs/dbraw/zinc/35/54/00/402355400.db2.gz GJZZUHVYOGSKHE-QGZVFWFLSA-N 1 0 304.434 2.001 20 70 DEIDRO COC(C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831673 402361929 /nfs/dbraw/zinc/36/19/29/402361929.db2.gz UMQIMQFLDWGXJR-OLZOCXBDSA-N 1 0 316.442 2.373 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160836438 402362664 /nfs/dbraw/zinc/36/26/64/402362664.db2.gz PACCGNOWHUOZJH-STQMWFEESA-N 1 0 300.324 2.418 20 70 DEIDRO O=C(NCC1(C2CC2)CC1)N1CCN(Cc2ccccn2)CC1 ZINC000160916868 402365535 /nfs/dbraw/zinc/36/55/35/402365535.db2.gz OSVAELFTLKMNLV-UHFFFAOYSA-N 1 0 314.433 2.099 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C[C@@H](C)O)C(C)C ZINC000160961027 402367166 /nfs/dbraw/zinc/36/71/66/402367166.db2.gz KMUNCXWKHNLRLI-HZPDHXFCSA-N 1 0 313.486 2.298 20 70 DEIDRO CC(C)(C)[NH2+]CCNC(=O)CCc1nc(C2CCCC2)no1 ZINC000161021601 402369498 /nfs/dbraw/zinc/36/94/98/402369498.db2.gz CIDHZKWCYHXYKR-UHFFFAOYSA-N 1 0 308.426 2.164 20 70 DEIDRO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161125689 402373904 /nfs/dbraw/zinc/37/39/04/402373904.db2.gz XUQPOJMRSQEGLZ-UWWQBHOKSA-N 1 0 323.408 2.192 20 70 DEIDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O ZINC000161250390 402379742 /nfs/dbraw/zinc/37/97/42/402379742.db2.gz PAWXSDFLFPFUBH-GFCCVEGCSA-N 1 0 317.776 2.449 20 70 DEIDRO O=C(N1CCN(Cc2ccccc2Cl)CC1)C1(O)CCCC1 ZINC000161312435 402382154 /nfs/dbraw/zinc/38/21/54/402382154.db2.gz LLLIVWKIFVTWFL-UHFFFAOYSA-N 1 0 322.836 2.289 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161328372 402382568 /nfs/dbraw/zinc/38/25/68/402382568.db2.gz ONDMTEFUPTYBKQ-DLBZAZTESA-N 1 0 302.418 2.194 20 70 DEIDRO C[N@H+](CCN1CCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159647526 402327982 /nfs/dbraw/zinc/32/79/82/402327982.db2.gz VENJZERQAWSUID-UHFFFAOYSA-N 1 0 309.498 2.299 20 70 DEIDRO COc1ccc(C[C@H](C)[NH2+]CCc2cnn(C)c2)cc1OC ZINC000159747702 402329765 /nfs/dbraw/zinc/32/97/65/402329765.db2.gz ARWHIAFLAKPGJP-ZDUSSCGKSA-N 1 0 303.406 2.201 20 70 DEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(CCOCC)CC2)C1 ZINC000159763977 402330239 /nfs/dbraw/zinc/33/02/39/402330239.db2.gz APJJCFXYLMZDCH-HNNXBMFYSA-N 1 0 311.470 2.224 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCc2sccc21 ZINC000160029291 402335611 /nfs/dbraw/zinc/33/56/11/402335611.db2.gz SNLIXYIGTQDCLE-HIFRSBDPSA-N 1 0 322.474 2.131 20 70 DEIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(=O)c1cccc(F)c1 ZINC000160186364 402337687 /nfs/dbraw/zinc/33/76/87/402337687.db2.gz OUQWKFQIOIGHIB-WQVCFCJDSA-N 1 0 318.392 2.388 20 70 DEIDRO NC(=O)c1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)c(Cl)c1 ZINC000160462339 295192836 /nfs/dbraw/zinc/19/28/36/295192836.db2.gz NLJDQVNECDXRDV-CYBMUJFWSA-N 1 0 322.840 2.289 20 70 DEIDRO CCCCCN(CCO)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160794565 520168025 /nfs/dbraw/zinc/16/80/25/520168025.db2.gz GMVOWLDRKSITRP-OAHLLOKOSA-N 1 0 311.470 2.197 20 70 DEIDRO CCCOc1ccc(OCC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161162456 520405564 /nfs/dbraw/zinc/40/55/64/520405564.db2.gz ODDWTOCNKQXLSY-CQSZACIVSA-N 1 0 306.406 2.065 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 ZINC000159573096 521609613 /nfs/dbraw/zinc/60/96/13/521609613.db2.gz MYKRDJIVLRBDJI-OAHLLOKOSA-N 1 0 319.449 2.451 20 70 DEIDRO O=C([C@@H]1CCCCO1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000160378566 526467049 /nfs/dbraw/zinc/46/70/49/526467049.db2.gz MEHZQZAMWAUCKX-SJORKVTESA-N 1 0 302.418 2.336 20 70 DEIDRO O=C([C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)CC1CCOCC1 ZINC000159658869 526472698 /nfs/dbraw/zinc/47/26/98/526472698.db2.gz PRFCAHCAGAGUHU-GOSISDBHSA-N 1 0 316.445 2.441 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159863343 526574148 /nfs/dbraw/zinc/57/41/48/526574148.db2.gz RQUZATFTVLBMDU-MNOVXSKESA-N 1 0 308.426 2.177 20 70 DEIDRO O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160673109 527607638 /nfs/dbraw/zinc/60/76/38/527607638.db2.gz XWQFBYYKUVUPSF-YXMGTMDOSA-N 1 0 322.836 2.316 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000160779738 539587963 /nfs/dbraw/zinc/58/79/63/539587963.db2.gz LCDUWPRXACQLCB-NXEZZACHSA-N 1 0 317.311 2.022 20 70 DEIDRO CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161174341 539589161 /nfs/dbraw/zinc/58/91/61/539589161.db2.gz RGUFFCYMIWZSBJ-CABCVRRESA-N 1 0 318.417 2.434 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccnc2N2CCCCC2)C1 ZINC000161218497 539590122 /nfs/dbraw/zinc/59/01/22/539590122.db2.gz QUWNFRCWDCHWSI-KGLIPLIRSA-N 1 0 302.422 2.072 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000161505179 539591956 /nfs/dbraw/zinc/59/19/56/539591956.db2.gz ODIGQQVCECGFLV-RYUDHWBXSA-N 1 0 302.353 2.011 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000161310766 539590901 /nfs/dbraw/zinc/59/09/01/539590901.db2.gz WUMSBWMRYZXMMZ-ZIAGYGMSSA-N 1 0 311.385 2.042 20 70 DEIDRO [NH3+][C@H](CCC(=O)NCCCOC1CCOCC1)c1ccccc1 ZINC000160939944 355967950 /nfs/dbraw/zinc/96/79/50/355967950.db2.gz GLDJSGVVEKXTLA-QGZVFWFLSA-N 1 0 320.433 2.169 20 70 DEIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000160412567 284331682 /nfs/dbraw/zinc/33/16/82/284331682.db2.gz FTGPSRFRDBKYOS-INWMFGNUSA-N 1 0 313.401 2.431 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000161308594 197483354 /nfs/dbraw/zinc/48/33/54/197483354.db2.gz LQZBCXCEQHXQPE-APHBMKBZSA-N 1 0 315.417 2.105 20 70 DEIDRO CC(C)(CO)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160159156 197389422 /nfs/dbraw/zinc/38/94/22/197389422.db2.gz XIYKULSUEGUKHL-SNVBAGLBSA-N 1 0 322.232 2.341 20 70 DEIDRO COc1cc(C(=O)NCC(C)(C)[NH3+])ccc1OC1CCCC1 ZINC000160021057 197380477 /nfs/dbraw/zinc/38/04/77/197380477.db2.gz RIFWLSFPPWYPSE-UHFFFAOYSA-N 1 0 306.406 2.484 20 70 DEIDRO CCSc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160008593 291661909 /nfs/dbraw/zinc/66/19/09/291661909.db2.gz FLORZQPOWBQJOY-UHFFFAOYSA-N 1 0 322.474 2.233 20 70 DEIDRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160751265 291669280 /nfs/dbraw/zinc/66/92/80/291669280.db2.gz TUDBDXUCMLKERF-SJORKVTESA-N 1 0 319.449 2.500 20 70 DEIDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)C[NH3+])cc1 ZINC000161031954 291671779 /nfs/dbraw/zinc/67/17/79/291671779.db2.gz INTMBSAGGQUKPK-HZPDHXFCSA-N 1 0 306.406 2.240 20 70 DEIDRO CC[NH+]1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159709142 197361672 /nfs/dbraw/zinc/36/16/72/197361672.db2.gz AULXOZJDOOUFAV-UHFFFAOYSA-N 1 0 305.397 2.378 20 70 DEIDRO C[N@H+](CCCO)C1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159509271 197359056 /nfs/dbraw/zinc/35/90/56/197359056.db2.gz CMDTUNOKDNVYJH-UHFFFAOYSA-N 1 0 312.483 2.119 20 70 DEIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159441057 197354251 /nfs/dbraw/zinc/35/42/51/197354251.db2.gz GZUGKIKAFBSIIV-AWEZNQCLSA-N 1 0 310.405 2.325 20 70 DEIDRO O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000159381215 197349903 /nfs/dbraw/zinc/34/99/03/197349903.db2.gz FNKVBWCCVAMMLX-OCCSQVGLSA-N 1 0 322.380 2.322 20 70 DEIDRO C[C@@H](N1CCN(CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC000161422036 533011205 /nfs/dbraw/zinc/01/12/05/533011205.db2.gz KNTZPKCQGYJPAE-CQSZACIVSA-N 1 0 307.404 2.431 20 70 DEIDRO Cn1nccc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238734 402295325 /nfs/dbraw/zinc/29/53/25/402295325.db2.gz HIOUHDDUWRWZHE-CYBMUJFWSA-N 1 0 308.426 2.157 20 70 DEIDRO CN(C)C1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000218761924 402296680 /nfs/dbraw/zinc/29/66/80/402296680.db2.gz UJVBXJPZPAQMGZ-CQSZACIVSA-N 1 0 311.470 2.460 20 70 DEIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000160341428 402341625 /nfs/dbraw/zinc/34/16/25/402341625.db2.gz AILHCCRQGXTKFU-SFHVURJKSA-N 1 0 320.396 2.475 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC000160455275 402346439 /nfs/dbraw/zinc/34/64/39/402346439.db2.gz IXEJOLDNBVXPKW-OAHLLOKOSA-N 1 0 318.421 2.027 20 70 DEIDRO COC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000160619650 402354435 /nfs/dbraw/zinc/35/44/35/402354435.db2.gz JEUNRHTVWXKTHP-SFHVURJKSA-N 1 0 306.450 2.279 20 70 DEIDRO COC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000160637797 402354677 /nfs/dbraw/zinc/35/46/77/402354677.db2.gz GJMIWGQJPHHFNX-SFHVURJKSA-N 1 0 304.434 2.033 20 70 DEIDRO CC[C@@H]1COCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160931103 402365798 /nfs/dbraw/zinc/36/57/98/402365798.db2.gz QHSWOFOWHFEDKM-CVEARBPZSA-N 1 0 311.470 2.317 20 70 DEIDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161001414 402368713 /nfs/dbraw/zinc/36/87/13/402368713.db2.gz YZJODEWTJZBZJU-XJKSGUPXSA-N 1 0 319.449 2.206 20 70 DEIDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)c2ccc(C)cc2)C1 ZINC000161024134 402369676 /nfs/dbraw/zinc/36/96/76/402369676.db2.gz JADPUQJHGZQXDX-MRXNPFEDSA-N 1 0 302.418 2.368 20 70 DEIDRO CCNC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161038016 402370482 /nfs/dbraw/zinc/37/04/82/402370482.db2.gz GAYRLTHGYFERSG-OAHLLOKOSA-N 1 0 313.405 2.472 20 70 DEIDRO CC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cnn(C)c1 ZINC000161452921 402388368 /nfs/dbraw/zinc/38/83/68/402388368.db2.gz ILIOFDRLHMLXCN-KRWDZBQOSA-N 1 0 314.433 2.498 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000161107476 402373257 /nfs/dbraw/zinc/37/32/57/402373257.db2.gz WIHYFYMWLORAJS-UHFFFAOYSA-N 1 0 314.389 2.198 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC000161212391 402377590 /nfs/dbraw/zinc/37/75/90/402377590.db2.gz OGFZRUCOBUBSFZ-OAHLLOKOSA-N 1 0 301.365 2.444 20 70 DEIDRO COc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1N ZINC000161232925 402378344 /nfs/dbraw/zinc/37/83/44/402378344.db2.gz WXYISULWQJDYGF-UHFFFAOYSA-N 1 0 314.389 2.256 20 70 DEIDRO CC(C)(C)[C@@H](CCO)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000161246908 402378770 /nfs/dbraw/zinc/37/87/70/402378770.db2.gz MVUJFPPFAUAULP-CQSZACIVSA-N 1 0 313.486 2.347 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3c2cccc3O)CC1 ZINC000159912587 402333655 /nfs/dbraw/zinc/33/36/55/402333655.db2.gz RAJLVQMNXIGBMO-HNNXBMFYSA-N 1 0 303.406 2.117 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000159939196 402334293 /nfs/dbraw/zinc/33/42/93/402334293.db2.gz VJCXZZMQOOYGQV-CQSZACIVSA-N 1 0 309.410 2.013 20 70 DEIDRO CCOc1ccccc1C(=O)N1CCC([NH2+][C@H](C)COC)CC1 ZINC000160012602 402334864 /nfs/dbraw/zinc/33/48/64/402334864.db2.gz MPLUKGOHZLQKGC-CQSZACIVSA-N 1 0 320.433 2.314 20 70 DEIDRO CS[C@@H]1CCC[C@H](NC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000159571054 286694666 /nfs/dbraw/zinc/69/46/66/286694666.db2.gz WCKBNIBNGHSIQY-LSDHHAIUSA-N 1 0 304.459 2.273 20 70 DEIDRO C[C@@H](c1ccccc1F)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364718 287150995 /nfs/dbraw/zinc/15/09/95/287150995.db2.gz MOKTWHRIDXRAAF-SUMWQHHRSA-N 1 0 319.424 2.301 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@@H]1C ZINC000161263968 273967202 /nfs/dbraw/zinc/96/72/02/273967202.db2.gz SWALFVOFZLZFHD-DOTOQJQBSA-N 1 0 315.461 2.428 20 70 DEIDRO CCC[NH+](CCC)CCCNC(=O)c1cnc2c(c1)ncn2C ZINC000160364053 521647067 /nfs/dbraw/zinc/64/70/67/521647067.db2.gz CLICDMOGMMROQX-UHFFFAOYSA-N 1 0 317.437 2.210 20 70 DEIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)c2cccs2)CC1 ZINC000160118343 521685033 /nfs/dbraw/zinc/68/50/33/521685033.db2.gz JQOJHJIMJQQRFK-LSDHHAIUSA-N 1 0 323.506 2.241 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)NOCc1cccnc1)c1cccs1 ZINC000160999362 522077341 /nfs/dbraw/zinc/07/73/41/522077341.db2.gz PGTGEZKRXFBJRW-CYBMUJFWSA-N 1 0 320.418 2.177 20 70 DEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000161347365 524396566 /nfs/dbraw/zinc/39/65/66/524396566.db2.gz YSZMMPQZPCBTDP-NVXWUHKLSA-N 1 0 304.434 2.119 20 70 DEIDRO Cc1ccccc1[C@@H]1CN(C(=O)C[NH2+]CC2CC2)[C@H](C)CO1 ZINC000160410847 525385279 /nfs/dbraw/zinc/38/52/79/525385279.db2.gz RNVHMGOWSRKENT-PBHICJAKSA-N 1 0 302.418 2.283 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cnn(C)c1 ZINC000160463427 525537647 /nfs/dbraw/zinc/53/76/47/525537647.db2.gz AAGCKXDZLYMVQY-OAHLLOKOSA-N 1 0 314.433 2.103 20 70 DEIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCOC1CCCCCC1 ZINC000160087291 527335861 /nfs/dbraw/zinc/33/58/61/527335861.db2.gz MRXNDRJIYHYNEV-KRWDZBQOSA-N 1 0 304.434 2.412 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000159413352 539582014 /nfs/dbraw/zinc/58/20/14/539582014.db2.gz HLTLSHPGBQEEDN-CQSZACIVSA-N 1 0 301.475 2.061 20 70 DEIDRO COCCC[N@H+](C)CCNC(=O)Nc1ccnc(C)c1Cl ZINC000159831049 539584101 /nfs/dbraw/zinc/58/41/01/539584101.db2.gz FFBZUOXEESQPFE-UHFFFAOYSA-N 1 0 314.817 2.133 20 70 DEIDRO CCOc1cccc2c1OCC(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)=C2 ZINC000161083772 539589071 /nfs/dbraw/zinc/58/90/71/539589071.db2.gz YMGSHYIMMKQYKT-CABCVRRESA-N 1 0 316.401 2.247 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000161122093 539589304 /nfs/dbraw/zinc/58/93/04/539589304.db2.gz QEBZKFXUPRUQFA-CVEARBPZSA-N 1 0 312.417 2.191 20 70 DEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159597215 186129612 /nfs/dbraw/zinc/12/96/12/186129612.db2.gz BNACSXSNQRFQDJ-DGCLKSJQSA-N 1 0 314.476 2.141 20 70 DEIDRO COC1(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000159630168 186131973 /nfs/dbraw/zinc/13/19/73/186131973.db2.gz PSXXVBGKPSNFIN-JTQLQIEISA-N 1 0 314.788 2.425 20 70 DEIDRO CNC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159662006 186133506 /nfs/dbraw/zinc/13/35/06/186133506.db2.gz DLJOEEGKXSLZBA-JYJNAYRXSA-N 1 0 300.402 2.093 20 70 DEIDRO Cc1cccc([C@@H](C)C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000159780761 355961891 /nfs/dbraw/zinc/96/18/91/355961891.db2.gz VRQGGHFGBHZOOV-QGZVFWFLSA-N 1 0 317.477 2.242 20 70 DEIDRO CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000160399889 197407609 /nfs/dbraw/zinc/40/76/09/197407609.db2.gz MQNFWDMMAWKNKE-GOSISDBHSA-N 1 0 324.428 2.378 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)o1 ZINC000160216346 197393044 /nfs/dbraw/zinc/39/30/44/197393044.db2.gz JWUKVAAOEQICOJ-IRXDYDNUSA-N 1 0 320.433 2.394 20 70 DEIDRO CCC[C@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CCO1 ZINC000160094290 197385588 /nfs/dbraw/zinc/38/55/88/197385588.db2.gz SXQJLHKLRDJZLF-INIZCTEOSA-N 1 0 311.470 2.317 20 70 DEIDRO Cc1nnc(-c2ccccc2C(=O)N(C)[C@H]2CCC[N@H+](C)C2)o1 ZINC000159916713 197373259 /nfs/dbraw/zinc/37/32/59/197373259.db2.gz TVANDJCAMUZTEY-ZDUSSCGKSA-N 1 0 314.389 2.211 20 70 DEIDRO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC000159912179 197372474 /nfs/dbraw/zinc/37/24/74/197372474.db2.gz VFGCPEPAAUTRRK-HUUCEWRRSA-N 1 0 322.474 2.422 20 70 DEIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000160484154 291666902 /nfs/dbraw/zinc/66/69/02/291666902.db2.gz LRMDNIAPSWKXNG-AEFFLSMTSA-N 1 0 303.450 2.187 20 70 DEIDRO COC(=O)c1csc(NC(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000160809925 291670009 /nfs/dbraw/zinc/67/00/09/291670009.db2.gz RGJKPJBPOGBQFU-UHFFFAOYSA-N 1 0 311.407 2.094 20 70 DEIDRO CC[C@@H](C(=O)N(C)c1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000159714619 197361887 /nfs/dbraw/zinc/36/18/87/197361887.db2.gz QKRFTCVWWXIQFW-LBPRGKRZSA-N 1 0 310.394 2.015 20 70 DEIDRO CS[C@H](C)CNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159759494 197361635 /nfs/dbraw/zinc/36/16/35/197361635.db2.gz NULQNRJWQVXHFY-IGQOVBAYSA-N 1 0 301.500 2.404 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560852 197361315 /nfs/dbraw/zinc/36/13/15/197361315.db2.gz SJAXTJMEPJRLMH-CQSZACIVSA-N 1 0 305.447 2.215 20 70 DEIDRO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159463062 197356108 /nfs/dbraw/zinc/35/61/08/197356108.db2.gz JTBJJPHDJMVWMU-HFTRVMKXSA-N 1 0 316.445 2.447 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000159424977 197352524 /nfs/dbraw/zinc/35/25/24/197352524.db2.gz VAPJDNHOQRDLLQ-BHYGNILZSA-N 1 0 318.417 2.450 20 70 DEIDRO CCc1ccc(C(=O)CCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000159378459 197349998 /nfs/dbraw/zinc/34/99/98/197349998.db2.gz INRLEABJUGITDM-IBGZPJMESA-N 1 0 314.429 2.424 20 70 DEIDRO COC1(C(=O)N2CCSC3(CCCCC3)C2)CC[NH2+]CC1 ZINC000161452294 292087939 /nfs/dbraw/zinc/08/79/39/292087939.db2.gz WPDFLGDHAOASDO-UHFFFAOYSA-N 1 0 312.479 2.033 20 70 DEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161206079 144797592 /nfs/dbraw/zinc/79/75/92/144797592.db2.gz DYHJCVCXLDWQRN-OIBJUYFYSA-N 1 0 309.357 2.194 20 70 DEIDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccccc1Br ZINC000217268423 402291381 /nfs/dbraw/zinc/29/13/81/402291381.db2.gz VVJRVDBMKYFFQG-WDEREUQCSA-N 1 0 311.223 2.200 20 70 DEIDRO Cc1cccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1 ZINC000160440627 402345744 /nfs/dbraw/zinc/34/57/44/402345744.db2.gz DEIZDKMERXQSJR-OAHLLOKOSA-N 1 0 303.450 2.198 20 70 DEIDRO CCc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)o1 ZINC000160456010 402346300 /nfs/dbraw/zinc/34/63/00/402346300.db2.gz LZVBNTSOKZJRCF-ZDUSSCGKSA-N 1 0 307.438 2.045 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000160456143 402346381 /nfs/dbraw/zinc/34/63/81/402346381.db2.gz VADRKRUXSGDMSR-AWEZNQCLSA-N 1 0 317.433 2.211 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000160613053 402354006 /nfs/dbraw/zinc/35/40/06/402354006.db2.gz QOHQBSGJHFDVFS-ZDUSSCGKSA-N 1 0 323.234 2.301 20 70 DEIDRO CC[C@@H](C)c1cc(C(=O)NCCCC[NH+]2CCOCC2)on1 ZINC000160681670 402356732 /nfs/dbraw/zinc/35/67/32/402356732.db2.gz NUKZKNXQLURQIK-CYBMUJFWSA-N 1 0 309.410 2.030 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccnc2SC(F)(F)F)C1 ZINC000160711363 402357971 /nfs/dbraw/zinc/35/79/71/402357971.db2.gz MYYKNGNZQAIKDV-MRVPVSSYSA-N 1 0 305.325 2.127 20 70 DEIDRO CCC[C@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160720536 402358340 /nfs/dbraw/zinc/35/83/40/402358340.db2.gz NUUZPJYMMKVRPE-SFHVURJKSA-N 1 0 318.461 2.391 20 70 DEIDRO CCO[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC)CC2)C12CCC2 ZINC000160752774 402359498 /nfs/dbraw/zinc/35/94/98/402359498.db2.gz RCCSWWVHLYRUIL-HOTGVXAUSA-N 1 0 323.481 2.460 20 70 DEIDRO O=C(C[C@@H]1COC(=O)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160796256 402360695 /nfs/dbraw/zinc/36/06/95/402360695.db2.gz WBMKFKLTMOHZSC-INIZCTEOSA-N 1 0 322.449 2.054 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160836852 402362646 /nfs/dbraw/zinc/36/26/46/402362646.db2.gz PACCGNOWHUOZJH-CHWSQXEVSA-N 1 0 300.324 2.418 20 70 DEIDRO C[N@H+](CC(=O)N1CCc2ccc(F)cc2C1)[C@H]1CCSC1 ZINC000161479635 402388573 /nfs/dbraw/zinc/38/85/73/402388573.db2.gz DKOLPRXQKKMGAT-HNNXBMFYSA-N 1 0 308.422 2.148 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161190954 402377121 /nfs/dbraw/zinc/37/71/21/402377121.db2.gz SQVHUISQDPGJSL-ZMLRMANQSA-N 1 0 316.327 2.305 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000161252390 402379578 /nfs/dbraw/zinc/37/95/78/402379578.db2.gz NUWQTPMLSBJFRA-UHFFFAOYSA-N 1 0 315.461 2.082 20 70 DEIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000161273020 402380352 /nfs/dbraw/zinc/38/03/52/402380352.db2.gz LXEAXXYCNQSLNV-MRXNPFEDSA-N 1 0 308.466 2.382 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000161308078 402382065 /nfs/dbraw/zinc/38/20/65/402382065.db2.gz PRURYQYNRSFGLY-HNNXBMFYSA-N 1 0 303.406 2.105 20 70 DEIDRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1C[NH2+]CCO1 ZINC000161335666 402383491 /nfs/dbraw/zinc/38/34/91/402383491.db2.gz MJGSKOWHRRKAMG-HNNXBMFYSA-N 1 0 308.353 2.074 20 70 DEIDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC000161349486 402383983 /nfs/dbraw/zinc/38/39/83/402383983.db2.gz IHSLQBKZCCDFBO-UHFFFAOYSA-N 1 0 310.401 2.133 20 70 DEIDRO CC[C@@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000161385155 402385945 /nfs/dbraw/zinc/38/59/45/402385945.db2.gz BYCQJWFWXGQLIW-INIZCTEOSA-N 1 0 323.868 2.324 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159629370 402326932 /nfs/dbraw/zinc/32/69/32/402326932.db2.gz ZZESLCMUDXQZMJ-BXUZGUMPSA-N 1 0 320.437 2.178 20 70 DEIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ncccc1F ZINC000159758251 402330184 /nfs/dbraw/zinc/33/01/84/402330184.db2.gz HVVDTWMNDROABW-HZSPNIEDSA-N 1 0 322.428 2.386 20 70 DEIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160326797 274115516 /nfs/dbraw/zinc/11/55/16/274115516.db2.gz BWEPIEKYYFBSEE-AAEUAGOBSA-N 1 0 316.405 2.269 20 70 DEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NOCc2cccnc2)C1 ZINC000161075548 278884613 /nfs/dbraw/zinc/88/46/13/278884613.db2.gz SSCMFWAEZJBEAI-HUUCEWRRSA-N 1 0 320.437 2.180 20 70 DEIDRO CC(C)C[C@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160962152 279169510 /nfs/dbraw/zinc/16/95/10/279169510.db2.gz MYKDFFFIJKBRBE-CVEARBPZSA-N 1 0 313.486 2.203 20 70 DEIDRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)N(C)C1CC1 ZINC000218561230 337339801 /nfs/dbraw/zinc/33/98/01/337339801.db2.gz SUDFFJFQWKECND-DOMZBBRYSA-N 1 0 312.841 2.152 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N(C)C1CCCCC1)C(=O)OC ZINC000159679062 517537633 /nfs/dbraw/zinc/53/76/33/517537633.db2.gz HMSKAIXXKZIFSJ-UHFFFAOYSA-N 1 0 312.454 2.347 20 70 DEIDRO CC(C)c1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000161405539 519835145 /nfs/dbraw/zinc/83/51/45/519835145.db2.gz NEIFPRFLFUALOD-HUUCEWRRSA-N 1 0 319.449 2.434 20 70 DEIDRO CC(C)n1nccc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000161460507 520093027 /nfs/dbraw/zinc/09/30/27/520093027.db2.gz NLDHEPKUEIYVCH-UHFFFAOYSA-N 1 0 300.406 2.326 20 70 DEIDRO CCCC[NH+]1CCC(NC(=O)NCCc2ccncc2C)CC1 ZINC000160382308 520571345 /nfs/dbraw/zinc/57/13/45/520571345.db2.gz VUURYRUCUUBRGE-UHFFFAOYSA-N 1 0 318.465 2.496 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000159642034 521607939 /nfs/dbraw/zinc/60/79/39/521607939.db2.gz HGXDAHVPUDLDTC-UHFFFAOYSA-N 1 0 320.437 2.106 20 70 DEIDRO Cc1cc(Cl)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160611979 524857296 /nfs/dbraw/zinc/85/72/96/524857296.db2.gz XHKLHPFPUCRBLL-OAHLLOKOSA-N 1 0 310.825 2.225 20 70 DEIDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000161323443 527412756 /nfs/dbraw/zinc/41/27/56/527412756.db2.gz JOYIZHUQZNVUOT-BBWFWOEESA-N 1 0 302.418 2.179 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000160981712 539588310 /nfs/dbraw/zinc/58/83/10/539588310.db2.gz ZYFAJSNZXBINEK-RYUDHWBXSA-N 1 0 305.403 2.332 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000161310626 539591335 /nfs/dbraw/zinc/59/13/35/539591335.db2.gz WUMSBWMRYZXMMZ-KBPBESRZSA-N 1 0 311.385 2.042 20 70 DEIDRO CCCN(CC)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161426268 539591390 /nfs/dbraw/zinc/59/13/90/539591390.db2.gz NHKHRRBJMPAPBP-GJZGRUSLSA-N 1 0 304.438 2.318 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCOCCc2ccccc2)C1 ZINC000161505526 539591898 /nfs/dbraw/zinc/59/18/98/539591898.db2.gz DBNYOEAIYQXAKB-DLBZAZTESA-N 1 0 304.434 2.412 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2COC)CC1 ZINC000159617312 186130953 /nfs/dbraw/zinc/13/09/53/186130953.db2.gz XPBJCMULNSJPII-UHFFFAOYSA-N 1 0 305.422 2.070 20 70 DEIDRO CCOC(=O)CCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161458925 291675116 /nfs/dbraw/zinc/67/51/16/291675116.db2.gz ZVHSXNQUUJNQGG-CYBMUJFWSA-N 1 0 311.344 2.355 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000161191167 197472836 /nfs/dbraw/zinc/47/28/36/197472836.db2.gz SQVHUISQDPGJSL-ADEWGFFLSA-N 1 0 316.327 2.305 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000161167229 197471741 /nfs/dbraw/zinc/47/17/41/197471741.db2.gz CPUSBCUXQFGXBU-UHFFFAOYSA-N 1 0 319.449 2.465 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000160492176 197415579 /nfs/dbraw/zinc/41/55/79/197415579.db2.gz MZQZSJKJVRZMQA-UHFFFAOYSA-N 1 0 317.433 2.056 20 70 DEIDRO CCOC(=O)C1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCC1 ZINC000160416822 197408122 /nfs/dbraw/zinc/40/81/22/197408122.db2.gz FIMOXUORSPEBPB-WMLDXEAASA-N 1 0 324.465 2.347 20 70 DEIDRO CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])cc1OCC ZINC000160247969 197395926 /nfs/dbraw/zinc/39/59/26/197395926.db2.gz CPTRHPKPMUCFRG-HQPKTYMTSA-N 1 0 318.417 2.447 20 70 DEIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000160224496 197394026 /nfs/dbraw/zinc/39/40/26/197394026.db2.gz SAWKJRBPDADZLF-DIFFPNOSSA-N 1 0 313.401 2.226 20 70 DEIDRO CC(C)([NH3+])CNC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000160085096 197384781 /nfs/dbraw/zinc/38/47/81/197384781.db2.gz PEGJTCSZXRAOJF-UHFFFAOYSA-N 1 0 306.797 2.052 20 70 DEIDRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160751375 291669291 /nfs/dbraw/zinc/66/92/91/291669291.db2.gz TUDBDXUCMLKERF-IRXDYDNUSA-N 1 0 319.449 2.500 20 70 DEIDRO COC(=O)N(C)Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1 ZINC000160950750 291671120 /nfs/dbraw/zinc/67/11/20/291671120.db2.gz LELKBEUFCIMTSN-UHFFFAOYSA-N 1 0 307.394 2.211 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159500083 197358444 /nfs/dbraw/zinc/35/84/44/197358444.db2.gz QDDRLUSINMJODP-CQSZACIVSA-N 1 0 323.462 2.152 20 70 DEIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000159537098 197360839 /nfs/dbraw/zinc/36/08/39/197360839.db2.gz WHAPQMRHUFQZLC-GVDBMIGSSA-N 1 0 302.418 2.188 20 70 DEIDRO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159463639 197356045 /nfs/dbraw/zinc/35/60/45/197356045.db2.gz BHGVRBXYMPQYEX-JKSUJKDBSA-N 1 0 313.486 2.419 20 70 DEIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000159386486 402322912 /nfs/dbraw/zinc/32/29/12/402322912.db2.gz JMTKBPNWSLMFDX-INIZCTEOSA-N 1 0 321.852 2.254 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](CO)c1ccc(CC)cc1 ZINC000159412489 402323499 /nfs/dbraw/zinc/32/34/99/402323499.db2.gz YPUFQXIJHFFBLR-KRWDZBQOSA-N 1 0 321.465 2.314 20 70 DEIDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccccc2Br)[C@H]1C ZINC000217268420 402291468 /nfs/dbraw/zinc/29/14/68/402291468.db2.gz VVJRVDBMKYFFQG-QWRGUYRKSA-N 1 0 311.223 2.200 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1OCCO2 ZINC000160383968 402343412 /nfs/dbraw/zinc/34/34/12/402343412.db2.gz IMUHKBKMHPGONB-CQSZACIVSA-N 1 0 318.417 2.308 20 70 DEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000160526429 402349250 /nfs/dbraw/zinc/34/92/50/402349250.db2.gz UTSJRMYUNBJJIS-OLZOCXBDSA-N 1 0 305.422 2.481 20 70 DEIDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160543577 402350630 /nfs/dbraw/zinc/35/06/30/402350630.db2.gz HRIXHTISQOQIPZ-SJORKVTESA-N 1 0 323.481 2.317 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000160553019 402350753 /nfs/dbraw/zinc/35/07/53/402350753.db2.gz DKDQIKGFWASOIQ-VXGBXAGGSA-N 1 0 318.446 2.177 20 70 DEIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1COc2ccc(C)cc21 ZINC000160662031 402356159 /nfs/dbraw/zinc/35/61/59/402356159.db2.gz FRRXCAVLIXNUCS-HNNXBMFYSA-N 1 0 305.422 2.460 20 70 DEIDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160691743 402357304 /nfs/dbraw/zinc/35/73/04/402357304.db2.gz HDNZEOJQIJEPJB-MSOLQXFVSA-N 1 0 316.445 2.493 20 70 DEIDRO Cc1noc(Cl)c1CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000160692459 402357344 /nfs/dbraw/zinc/35/73/44/402357344.db2.gz HBNWSBFLBRTZGU-NSHDSACASA-N 1 0 313.829 2.417 20 70 DEIDRO CCO[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCC2 ZINC000160714346 402358089 /nfs/dbraw/zinc/35/80/89/402358089.db2.gz GHLTUMDJLGWORJ-GJZGRUSLSA-N 1 0 309.454 2.070 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2occc2COc2ccccc2)C1 ZINC000160729785 402358697 /nfs/dbraw/zinc/35/86/97/402358697.db2.gz BEUZCPVGPDCLFD-AWEZNQCLSA-N 1 0 300.358 2.293 20 70 DEIDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160746137 402358914 /nfs/dbraw/zinc/35/89/14/402358914.db2.gz ZPFSGWNGVUQSLS-KRWDZBQOSA-N 1 0 309.498 2.491 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)oc1C ZINC000160745936 402358994 /nfs/dbraw/zinc/35/89/94/402358994.db2.gz XZOKPMKXZZOUDX-HOTGVXAUSA-N 1 0 320.433 2.394 20 70 DEIDRO O=C(N[C@H](CO)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160821732 402361943 /nfs/dbraw/zinc/36/19/43/402361943.db2.gz HTCGYCDDMYRAFH-NVXWUHKLSA-N 1 0 317.433 2.036 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C[C@@H](C)O)C(C)C ZINC000160961155 402367003 /nfs/dbraw/zinc/36/70/03/402367003.db2.gz KMUNCXWKHNLRLI-CVEARBPZSA-N 1 0 313.486 2.298 20 70 DEIDRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160959620 402367155 /nfs/dbraw/zinc/36/71/55/402367155.db2.gz QXQPZHXGSHGWGI-OAGGEKHMSA-N 1 0 321.465 2.116 20 70 DEIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCc3ccccc32)C12CCC2 ZINC000160998167 402368898 /nfs/dbraw/zinc/36/88/98/402368898.db2.gz AWAKOQNJVZOJTB-ZACQAIPSSA-N 1 0 314.429 2.337 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022718 402370025 /nfs/dbraw/zinc/37/00/25/402370025.db2.gz XNBMUAPFLJNRMQ-AXTRIDKLSA-N 1 0 300.374 2.017 20 70 DEIDRO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161124881 402374142 /nfs/dbraw/zinc/37/41/42/402374142.db2.gz DQWBVIJIIXQVII-SOLBZPMBSA-N 1 0 305.418 2.053 20 70 DEIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1csc([C@@H]2CCCO2)n1 ZINC000161294017 402380610 /nfs/dbraw/zinc/38/06/10/402380610.db2.gz NMJWMYPKVIDMND-AWEZNQCLSA-N 1 0 321.446 2.351 20 70 DEIDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000161280458 402380867 /nfs/dbraw/zinc/38/08/67/402380867.db2.gz VJCGHBYZNWAWJG-KGLIPLIRSA-N 1 0 321.469 2.171 20 70 DEIDRO FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159627228 402326991 /nfs/dbraw/zinc/32/69/91/402326991.db2.gz DZVMXEBPIHYXNR-RTXFEEFZSA-N 1 0 315.339 2.493 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)NCC1CCCCC1)C(=O)OC ZINC000159679344 402328481 /nfs/dbraw/zinc/32/84/81/402328481.db2.gz SGMFMOGNUNVIOH-UHFFFAOYSA-N 1 0 312.454 2.252 20 70 DEIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1c(C)nn(C)c1C ZINC000159925560 402333782 /nfs/dbraw/zinc/33/37/82/402333782.db2.gz SQHPUXOHVGROBW-OAHLLOKOSA-N 1 0 321.469 2.225 20 70 DEIDRO COC(=O)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153967 402336756 /nfs/dbraw/zinc/33/67/56/402336756.db2.gz HTKBQGQKBQHLOA-LBPRGKRZSA-N 1 0 319.336 2.228 20 70 DEIDRO COc1ccc(N(C)C(=O)C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000161440878 286322930 /nfs/dbraw/zinc/32/29/30/286322930.db2.gz YCOFOLOIIQUDRX-GFCCVEGCSA-N 1 0 312.797 2.080 20 70 DEIDRO CCO[C@H]1C[C@@H](N(C)C(=O)NCC[NH+](CC)CC)C12CCC2 ZINC000160636418 286460883 /nfs/dbraw/zinc/46/08/83/286460883.db2.gz SZZCGOCEKNZIGS-CABCVRRESA-N 1 0 311.470 2.317 20 70 DEIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160926519 287197226 /nfs/dbraw/zinc/19/72/26/287197226.db2.gz PKOSIUUKWKMVAN-XYPHTWIQSA-N 1 0 302.418 2.411 20 70 DEIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(N)=O ZINC000159654871 276134072 /nfs/dbraw/zinc/13/40/72/276134072.db2.gz OBLMSMSHPDWBDK-SNVBAGLBSA-N 1 0 315.211 2.024 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000159366457 279430721 /nfs/dbraw/zinc/43/07/21/279430721.db2.gz QEZUMQIIBHPCGD-CVEARBPZSA-N 1 0 321.469 2.348 20 70 DEIDRO CC(C)Oc1cc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)ccn1 ZINC000159863626 519777865 /nfs/dbraw/zinc/77/78/65/519777865.db2.gz YNDCKFHAEXMYPM-ZDUSSCGKSA-N 1 0 320.437 2.151 20 70 DEIDRO CCOCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159957423 519903148 /nfs/dbraw/zinc/90/31/48/519903148.db2.gz ACBSXNFOWNYYDS-RDJZCZTQSA-N 1 0 319.449 2.185 20 70 DEIDRO CCOc1cc(CCCNC(=O)[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000160062393 520693384 /nfs/dbraw/zinc/69/33/84/520693384.db2.gz YAZUQIJMZFECLO-HNNXBMFYSA-N 1 0 320.433 2.285 20 70 DEIDRO CCc1nnc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]1 ZINC000159514248 522341708 /nfs/dbraw/zinc/34/17/08/522341708.db2.gz SPLHFCYDOJDBHP-UHFFFAOYSA-N 1 0 301.438 2.367 20 70 DEIDRO COC(=O)c1oc([C@@H](C)[NH+]2CCC(CC(N)=O)CC2)cc1C ZINC000159753346 522406309 /nfs/dbraw/zinc/40/63/09/522406309.db2.gz OQQBETYEDVFBNG-LLVKDONJSA-N 1 0 308.378 2.023 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000160485671 522500377 /nfs/dbraw/zinc/50/03/77/522500377.db2.gz SZUUWHJESSJGRK-HNNXBMFYSA-N 1 0 313.401 2.485 20 70 DEIDRO C[N@H+](CCNC(=O)C[C@@H]1CSCCS1)Cc1ccccc1 ZINC000160677325 522847095 /nfs/dbraw/zinc/84/70/95/522847095.db2.gz QJHSLBVIGXMWAA-OAHLLOKOSA-N 1 0 324.515 2.473 20 70 DEIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](O)c1ccccc1 ZINC000159593715 526246336 /nfs/dbraw/zinc/24/63/36/526246336.db2.gz ZAIYVZJASJSJRY-RDJZCZTQSA-N 1 0 304.434 2.491 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522237 526880601 /nfs/dbraw/zinc/88/06/01/526880601.db2.gz GSVZSUBUBXELJH-AWEZNQCLSA-N 1 0 308.809 2.214 20 70 DEIDRO O=C(c1cncn1-c1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159872423 526884663 /nfs/dbraw/zinc/88/46/63/526884663.db2.gz UBQUKZMVWPBRQW-UHFFFAOYSA-N 1 0 324.428 2.477 20 70 DEIDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190751 527307148 /nfs/dbraw/zinc/30/71/48/527307148.db2.gz STCDLFNHRWUVJJ-TZMCWYRMSA-N 1 0 312.417 2.449 20 70 DEIDRO [NH3+][C@@H](CCC(=O)NCCCOC[C@H]1CCOC1)c1ccccc1 ZINC000160584085 539587123 /nfs/dbraw/zinc/58/71/23/539587123.db2.gz VBAWVUDLAFKASG-WBVHZDCISA-N 1 0 320.433 2.026 20 70 DEIDRO CN(C)C1(C[NH2+]C[C@H](O)COCc2cccs2)CCCC1 ZINC000160897310 539588199 /nfs/dbraw/zinc/58/81/99/539588199.db2.gz IQCVJQYAMJXROT-AWEZNQCLSA-N 1 0 312.479 2.090 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cccc(Br)c2)C1 ZINC000160885358 539588555 /nfs/dbraw/zinc/58/85/55/539588555.db2.gz OIWPCEVIQJHKHY-CHWSQXEVSA-N 1 0 311.223 2.378 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000161112977 539589251 /nfs/dbraw/zinc/58/92/51/539589251.db2.gz VHGDUMCEVOTSGE-CHWSQXEVSA-N 1 0 302.353 2.216 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC000161253497 539589806 /nfs/dbraw/zinc/58/98/06/539589806.db2.gz AUVJWGGYAHQTMC-UHFFFAOYSA-N 1 0 319.453 2.489 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCCCC2)C1 ZINC000161218208 539590014 /nfs/dbraw/zinc/59/00/14/539590014.db2.gz QUWNFRCWDCHWSI-UONOGXRCSA-N 1 0 302.422 2.072 20 70 DEIDRO CCCn1nccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000160089738 539584853 /nfs/dbraw/zinc/58/48/53/539584853.db2.gz IIONRLNQVMHOCP-GFCCVEGCSA-N 1 0 304.360 2.267 20 70 DEIDRO CC1CC[NH+](CCCCNC(=O)[C@H](O)c2ccccc2)CC1 ZINC000159605712 186130209 /nfs/dbraw/zinc/13/02/09/186130209.db2.gz LGXBCVADGQFNDZ-QGZVFWFLSA-N 1 0 304.434 2.348 20 70 DEIDRO O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@H]1CCC[NH2+]C1 ZINC000161040713 197460174 /nfs/dbraw/zinc/46/01/74/197460174.db2.gz NFYOQILUMSTLND-RRQGHBQHSA-N 1 0 318.417 2.307 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160265322 197396990 /nfs/dbraw/zinc/39/69/90/197396990.db2.gz YXKXBFUUKRBQSY-NSHDSACASA-N 1 0 312.845 2.240 20 70 DEIDRO CC(C)(CO)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000160162443 197390041 /nfs/dbraw/zinc/39/00/41/197390041.db2.gz BANVVMWYRGSKBL-NSHDSACASA-N 1 0 322.232 2.341 20 70 DEIDRO CCN(CC)c1nc2sc(C(=O)NCCC[NH3+])cc2s1 ZINC000160124329 197388343 /nfs/dbraw/zinc/38/83/43/197388343.db2.gz BROQHWZIQDHKLI-UHFFFAOYSA-N 1 0 312.464 2.283 20 70 DEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1OC ZINC000160103394 197386169 /nfs/dbraw/zinc/38/61/69/197386169.db2.gz HRINRWZUMHYECG-IJLUTSLNSA-N 1 0 322.371 2.333 20 70 DEIDRO [NH3+]CCCNC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000160023828 197380169 /nfs/dbraw/zinc/38/01/69/197380169.db2.gz YESJROUTZMIFJT-UHFFFAOYSA-N 1 0 314.385 2.109 20 70 DEIDRO Cc1c(/C=C/C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000159485107 291655211 /nfs/dbraw/zinc/65/52/11/291655211.db2.gz GTSMTOKFPGEJOK-WLBISTCBSA-N 1 0 318.465 2.226 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000159441781 197354314 /nfs/dbraw/zinc/35/43/14/197354314.db2.gz MGISTONQWKTCBR-ZJUUUORDSA-N 1 0 315.211 2.089 20 70 DEIDRO O=C(C[NH2+]CC1CC1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000159422637 197352654 /nfs/dbraw/zinc/35/26/54/197352654.db2.gz ZEMOEHVLNKCMQO-SJORKVTESA-N 1 0 318.417 2.307 20 70 DEIDRO O=C(C[NH2+]CC1CC1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000159422465 197352161 /nfs/dbraw/zinc/35/21/61/197352161.db2.gz ZEMOEHVLNKCMQO-IAGOWNOFSA-N 1 0 318.417 2.307 20 70 DEIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000159397649 197350670 /nfs/dbraw/zinc/35/06/70/197350670.db2.gz ZYBDXQJBNLHCFC-HNNXBMFYSA-N 1 0 302.484 2.361 20 70 DEIDRO COCCC1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000161134903 284858973 /nfs/dbraw/zinc/85/89/73/284858973.db2.gz PUMUVBOAVGNJAD-MRXNPFEDSA-N 1 0 323.481 2.463 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000160012462 285215189 /nfs/dbraw/zinc/21/51/89/285215189.db2.gz JWWNBELABRQFDB-HNNXBMFYSA-N 1 0 309.454 2.215 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)CCC(=O)c2csc3ccccc23)C1 ZINC000160293713 402339807 /nfs/dbraw/zinc/33/98/07/402339807.db2.gz JXYBKROLHFFADA-LLVKDONJSA-N 1 0 302.399 2.424 20 70 DEIDRO CCOc1c(Cl)cc(CN2CCC[C@@H]2C(N)=O)cc1OC ZINC000160315959 402340552 /nfs/dbraw/zinc/34/05/52/402340552.db2.gz YPGUSNZIOKZQRE-GFCCVEGCSA-N 1 0 312.797 2.197 20 70 DEIDRO CC(C)c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(N(C)C)n1 ZINC000160406227 402344359 /nfs/dbraw/zinc/34/43/59/402344359.db2.gz ADAMCZIAXUTTKK-QWHCGFSZSA-N 1 0 305.426 2.431 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000160475422 402346936 /nfs/dbraw/zinc/34/69/36/402346936.db2.gz ANAUKYAQABEJJN-ZDUSSCGKSA-N 1 0 319.405 2.312 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1cn(-c2ccccc2)nc1C ZINC000160496366 402347953 /nfs/dbraw/zinc/34/79/53/402347953.db2.gz JMGGJSBTSGXMDS-UHFFFAOYSA-N 1 0 300.406 2.428 20 70 DEIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000160498597 402348240 /nfs/dbraw/zinc/34/82/40/402348240.db2.gz IHGRXUOFLCDCGQ-XJKSGUPXSA-N 1 0 306.406 2.137 20 70 DEIDRO O=C(NCC1(c2cccs2)CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000160497693 402348340 /nfs/dbraw/zinc/34/83/40/402348340.db2.gz GNIJBKRYYPOUIS-CYBMUJFWSA-N 1 0 308.447 2.055 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160519884 402349525 /nfs/dbraw/zinc/34/95/25/402349525.db2.gz FCMRPRYIUAIWDK-DGCLKSJQSA-N 1 0 316.405 2.269 20 70 DEIDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cccnc1 ZINC000160560400 402351472 /nfs/dbraw/zinc/35/14/72/402351472.db2.gz MNRIMVYDTTUDAT-LBPRGKRZSA-N 1 0 308.378 2.345 20 70 DEIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160599430 402353220 /nfs/dbraw/zinc/35/32/20/402353220.db2.gz AFKJMGBBWMWTSC-HNNXBMFYSA-N 1 0 314.433 2.103 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000160633454 402354892 /nfs/dbraw/zinc/35/48/92/402354892.db2.gz MWXABVQZPTZKHK-ZDUSSCGKSA-N 1 0 318.808 2.268 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000160634791 402354989 /nfs/dbraw/zinc/35/49/89/402354989.db2.gz FKRCPAYNZWNMLE-CQSZACIVSA-N 1 0 312.373 2.048 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000160709037 402357766 /nfs/dbraw/zinc/35/77/66/402357766.db2.gz IBCMNQXMWAQHGW-CQSZACIVSA-N 1 0 310.401 2.184 20 70 DEIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000160841459 402362608 /nfs/dbraw/zinc/36/26/08/402362608.db2.gz RKZBSAKTPFADSP-OALUTQOASA-N 1 0 324.424 2.465 20 70 DEIDRO COC(=O)c1csc(NC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000160936640 402366508 /nfs/dbraw/zinc/36/65/08/402366508.db2.gz WDDWLSIVGDJONF-UHFFFAOYSA-N 1 0 323.418 2.094 20 70 DEIDRO CCOC(=O)CCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161458807 402388200 /nfs/dbraw/zinc/38/82/00/402388200.db2.gz ZVHSXNQUUJNQGG-ZDUSSCGKSA-N 1 0 311.344 2.355 20 70 DEIDRO Cc1c(/C=C/C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000160993783 402368142 /nfs/dbraw/zinc/36/81/42/402368142.db2.gz USRMPPIOIIASQI-VNOZKIMMSA-N 1 0 318.465 2.224 20 70 DEIDRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000161186418 402376608 /nfs/dbraw/zinc/37/66/08/402376608.db2.gz NEPUEWFVPXGGMU-NUTKFTJISA-N 1 0 320.481 2.382 20 70 DEIDRO C[N@H+](CCCn1ccnc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161210234 402377870 /nfs/dbraw/zinc/37/78/70/402377870.db2.gz HBUSQMAOXVBCDB-UHFFFAOYSA-N 1 0 320.481 2.490 20 70 DEIDRO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161329163 402382574 /nfs/dbraw/zinc/38/25/74/402382574.db2.gz FKEYBEUABAZPRU-SJORKVTESA-N 1 0 304.434 2.425 20 70 DEIDRO C[C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)[NH+]1CCCCCC1 ZINC000161358197 402384423 /nfs/dbraw/zinc/38/44/23/402384423.db2.gz HLLNKROKOCFZDD-HOTGVXAUSA-N 1 0 316.449 2.041 20 70 DEIDRO CC[C@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000161385284 402385990 /nfs/dbraw/zinc/38/59/90/402385990.db2.gz BYCQJWFWXGQLIW-MRXNPFEDSA-N 1 0 323.868 2.324 20 70 DEIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2ccccc2)C1 ZINC000161400649 402386178 /nfs/dbraw/zinc/38/61/78/402386178.db2.gz DQBYRVJAQMRWJR-GOEBONIOSA-N 1 0 304.434 2.347 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000159669949 402328395 /nfs/dbraw/zinc/32/83/95/402328395.db2.gz OXRHEWQEQDJENG-KBPBESRZSA-N 1 0 312.454 2.250 20 70 DEIDRO Cn1cnc2cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cnc21 ZINC000159856952 402332181 /nfs/dbraw/zinc/33/21/81/402332181.db2.gz WQEOBQPKEKQCIZ-CQSZACIVSA-N 1 0 317.437 2.065 20 70 DEIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262438 402339504 /nfs/dbraw/zinc/33/95/04/402339504.db2.gz JCULFYSCXLOXLU-TZMCWYRMSA-N 1 0 324.446 2.408 20 70 DEIDRO CC1CC[NH+](C2CCC(NC(=O)c3cnccn3)CC2)CC1 ZINC000161486942 402389312 /nfs/dbraw/zinc/38/93/12/402389312.db2.gz DXSVXYDSENPZQB-UHFFFAOYSA-N 1 0 302.422 2.250 20 70 DEIDRO CC(C)[C@H](CNC(=O)[C@H](C)c1cccs1)[NH+]1CCN(C)CC1 ZINC000160054871 276017818 /nfs/dbraw/zinc/01/78/18/276017818.db2.gz POSXZRSBNUCNIR-CABCVRRESA-N 1 0 323.506 2.240 20 70 DEIDRO CC(C)[C@H](CCO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160701968 519813869 /nfs/dbraw/zinc/81/38/69/519813869.db2.gz DJCLZAQWBCAIQU-IRXDYDNUSA-N 1 0 304.434 2.174 20 70 DEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ccc(OC)cc1 ZINC000160332452 521634676 /nfs/dbraw/zinc/63/46/76/521634676.db2.gz XIDAUIROWXPPQY-CYBMUJFWSA-N 1 0 312.360 2.388 20 70 DEIDRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000160354815 522053832 /nfs/dbraw/zinc/05/38/32/522053832.db2.gz PKJRSORSLDBBBZ-ZBFHGGJFSA-N 1 0 319.405 2.022 20 70 DEIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccncc1C ZINC000161389475 523169260 /nfs/dbraw/zinc/16/92/60/523169260.db2.gz QEYVYQZUOFXWNV-QGZVFWFLSA-N 1 0 318.465 2.496 20 70 DEIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000159368727 523607744 /nfs/dbraw/zinc/60/77/44/523607744.db2.gz NWIMZGXZYPUNOZ-HNNXBMFYSA-N 1 0 316.449 2.410 20 70 DEIDRO C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1cccs1 ZINC000160142782 524175677 /nfs/dbraw/zinc/17/56/77/524175677.db2.gz IEMJMUQRMMSVQM-CQSZACIVSA-N 1 0 323.506 2.241 20 70 DEIDRO C[C@]1(C(=O)NCC2(c3ccccc3)CCOCC2)CCC[NH2+]C1 ZINC000161434131 525205146 /nfs/dbraw/zinc/20/51/46/525205146.db2.gz UINVMJUMLVBTOK-SFHVURJKSA-N 1 0 316.445 2.241 20 70 DEIDRO Cc1c(/C=C/C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC000160897380 525517707 /nfs/dbraw/zinc/51/77/07/525517707.db2.gz JMVYQZKEWPPNJR-VFNNOXKTSA-N 1 0 318.465 2.368 20 70 DEIDRO O=C([C@H]1CCCCO1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000160378768 526536026 /nfs/dbraw/zinc/53/60/26/526536026.db2.gz MEHZQZAMWAUCKX-IAGOWNOFSA-N 1 0 302.418 2.336 20 70 DEIDRO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160406378 527057001 /nfs/dbraw/zinc/05/70/01/527057001.db2.gz AUBUMCAFSLFRFA-DOTOQJQBSA-N 1 0 321.465 2.214 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160510038 282118368 /nfs/dbraw/zinc/11/83/68/282118368.db2.gz BPURFPFCWWUGFH-RISCZKNCSA-N 1 0 317.412 2.457 20 70 DEIDRO CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccnc(C)c1 ZINC000159610866 539582750 /nfs/dbraw/zinc/58/27/50/539582750.db2.gz UJADMHLMHMTISE-UHFFFAOYSA-N 1 0 308.407 2.049 20 70 DEIDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159589990 539582957 /nfs/dbraw/zinc/58/29/57/539582957.db2.gz ORMROGYSALRXGX-BBRMVZONSA-N 1 0 315.417 2.379 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000160981952 539588421 /nfs/dbraw/zinc/58/84/21/539588421.db2.gz ZYFAJSNZXBINEK-NEPJUHHUSA-N 1 0 305.403 2.332 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000161356493 539591110 /nfs/dbraw/zinc/59/11/10/539591110.db2.gz KDZPHIJAWNWDPR-UKRRQHHQSA-N 1 0 301.390 2.035 20 70 DEIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000161404629 539591435 /nfs/dbraw/zinc/59/14/35/539591435.db2.gz KLUYRMUCUQHIGN-WMLDXEAASA-N 1 0 323.400 2.089 20 70 DEIDRO CCCc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[nH]c(C)c1C(C)=O ZINC000161509283 539591816 /nfs/dbraw/zinc/59/18/16/539591816.db2.gz TWTFIVGAFGLIOA-CHWSQXEVSA-N 1 0 305.422 2.478 20 70 DEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](O)c2ccccc2)C1 ZINC000159667288 186133888 /nfs/dbraw/zinc/13/38/88/186133888.db2.gz GDNDWSDXFIWWLD-HLLBOEOZSA-N 1 0 304.434 2.204 20 70 DEIDRO C[C@@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000159697506 186136576 /nfs/dbraw/zinc/13/65/76/186136576.db2.gz DFRJFTKQMFHPHK-WDEREUQCSA-N 1 0 318.343 2.410 20 70 DEIDRO OCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)CCCC1 ZINC000160145857 355963732 /nfs/dbraw/zinc/96/37/32/355963732.db2.gz OGASQGDNOBIDML-AWEZNQCLSA-N 1 0 313.825 2.222 20 70 DEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2CC1 ZINC000160624199 355964820 /nfs/dbraw/zinc/96/48/20/355964820.db2.gz ZDBIEWLPQDRMOH-SFHVURJKSA-N 1 0 313.445 2.281 20 70 DEIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1Cl ZINC000160657205 197429229 /nfs/dbraw/zinc/42/92/29/197429229.db2.gz SATFNFXQZPUDMS-UHFFFAOYSA-N 1 0 310.825 2.083 20 70 DEIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)n1Cc1ccccn1 ZINC000160277761 197397847 /nfs/dbraw/zinc/39/78/47/197397847.db2.gz MTLUKZKIEVFOKR-INIZCTEOSA-N 1 0 312.417 2.112 20 70 DEIDRO COCC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000160372825 197404036 /nfs/dbraw/zinc/40/40/36/197404036.db2.gz FOINRYOLQLITTN-OAHLLOKOSA-N 1 0 308.422 2.087 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000160186517 197392001 /nfs/dbraw/zinc/39/20/01/197392001.db2.gz VHADZDHLOOYCKU-SNVBAGLBSA-N 1 0 309.163 2.369 20 70 DEIDRO O=C([C@H]1OCCc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000160148260 197388880 /nfs/dbraw/zinc/38/88/80/197388880.db2.gz TTZIWEIFADBBKY-SFHVURJKSA-N 1 0 314.429 2.291 20 70 DEIDRO Cc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)[NH3+])cc2F)n1 ZINC000160119419 197387412 /nfs/dbraw/zinc/38/74/12/197387412.db2.gz YTGPDMSBGMDIFP-UHFFFAOYSA-N 1 0 304.369 2.095 20 70 DEIDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCC[NH3+] ZINC000160024700 197380150 /nfs/dbraw/zinc/38/01/50/197380150.db2.gz FLXPXEDLOPWQSZ-UHFFFAOYSA-N 1 0 320.824 2.280 20 70 DEIDRO [NH3+][C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000159811479 197366761 /nfs/dbraw/zinc/36/67/61/197366761.db2.gz ADZLBQUNTWQAJY-NSHDSACASA-N 1 0 303.284 2.444 20 70 DEIDRO O=C([C@H]1COc2ccc(Cl)cc2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160082389 284579671 /nfs/dbraw/zinc/57/96/71/284579671.db2.gz WXCRZWCIVZPOMT-YUELXQCFSA-N 1 0 320.820 2.244 20 70 DEIDRO COCCC1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000159633832 291656733 /nfs/dbraw/zinc/65/67/33/291656733.db2.gz VNTSHFHDFUTCGQ-QGZVFWFLSA-N 1 0 318.461 2.482 20 70 DEIDRO COC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1Cl ZINC000159463732 197356232 /nfs/dbraw/zinc/35/62/32/197356232.db2.gz AVCIEOVBQJDEMZ-GHSKTYPESA-N 1 0 322.792 2.439 20 70 DEIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000159397752 197350240 /nfs/dbraw/zinc/35/02/40/197350240.db2.gz ZYBDXQJBNLHCFC-OAHLLOKOSA-N 1 0 302.484 2.361 20 70 DEIDRO O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000159381327 197350038 /nfs/dbraw/zinc/35/00/38/197350038.db2.gz FNKVBWCCVAMMLX-JSGCOSHPSA-N 1 0 322.380 2.322 20 70 DEIDRO CC[NH+]1CCN([C@@H]2CCN(c3nc(C(C)(C)C)ns3)C2)CC1 ZINC000159370326 197348563 /nfs/dbraw/zinc/34/85/63/197348563.db2.gz QAADDKIDIQNKIO-CYBMUJFWSA-N 1 0 323.510 2.052 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(F)cc3nccnc32)CC1 ZINC000161057163 197460582 /nfs/dbraw/zinc/46/05/82/197460582.db2.gz QNHSRQWYLOILCL-UHFFFAOYSA-N 1 0 316.380 2.231 20 70 DEIDRO C[N@H+](CC(=O)NCCc1cc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000161447067 402387602 /nfs/dbraw/zinc/38/76/02/402387602.db2.gz AKZAXXIHQLGSIB-HNNXBMFYSA-N 1 0 317.458 2.264 20 70 DEIDRO O=C(NCCc1cn2c(n1)CCCC2)N1CCC2(CCC2)C1 ZINC000160734894 402358351 /nfs/dbraw/zinc/35/83/51/402358351.db2.gz IJPNFYOMCNFEII-UHFFFAOYSA-N 1 0 302.422 2.348 20 70 DEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC)CC2)C12CCC2 ZINC000160752903 402359471 /nfs/dbraw/zinc/35/94/71/402359471.db2.gz RCCSWWVHLYRUIL-HZPDHXFCSA-N 1 0 323.481 2.460 20 70 DEIDRO Cc1c(/C=C/C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC000160779842 402360208 /nfs/dbraw/zinc/36/02/08/402360208.db2.gz GXIWOKAMTOSESL-MFUPGOHSSA-N 1 0 318.465 2.368 20 70 DEIDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)ccc1OC(F)F ZINC000160929134 402365848 /nfs/dbraw/zinc/36/58/48/402365848.db2.gz XCSSSHVKUUCSCJ-SNVBAGLBSA-N 1 0 316.348 2.472 20 70 DEIDRO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940666 402366367 /nfs/dbraw/zinc/36/63/67/402366367.db2.gz RVVLLKFOQNRURP-CKEIUWERSA-N 1 0 324.490 2.050 20 70 DEIDRO CC(C)Oc1cccc([C@H](O)CNC(=O)C2([NH3+])CCCCC2)c1 ZINC000160964681 402367296 /nfs/dbraw/zinc/36/72/96/402367296.db2.gz KIXWJNJGPKBZQE-MRXNPFEDSA-N 1 0 320.433 2.285 20 70 DEIDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(O)c(OC)c2)CC1 ZINC000161061669 402371100 /nfs/dbraw/zinc/37/11/00/402371100.db2.gz NEFRAJZNUOLEQU-UHFFFAOYSA-N 1 0 322.405 2.014 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000161170879 402375839 /nfs/dbraw/zinc/37/58/39/402375839.db2.gz VIDGWVPTYMEKKY-UHFFFAOYSA-N 1 0 314.433 2.296 20 70 DEIDRO Cn1nccc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000161241723 402378918 /nfs/dbraw/zinc/37/89/18/402378918.db2.gz TYCHRLHOFGXHRB-UHFFFAOYSA-N 1 0 300.406 2.061 20 70 DEIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1CC1 ZINC000161237314 402379051 /nfs/dbraw/zinc/37/90/51/402379051.db2.gz PLBVADBRQGOYGU-UHFFFAOYSA-N 1 0 312.417 2.220 20 70 DEIDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000161280551 402380598 /nfs/dbraw/zinc/38/05/98/402380598.db2.gz VJCGHBYZNWAWJG-KBPBESRZSA-N 1 0 321.469 2.171 20 70 DEIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)N2CCc3ccccc32)CC1 ZINC000161390940 402385738 /nfs/dbraw/zinc/38/57/38/402385738.db2.gz MJHFSKGZWDCWSS-NNGSBXSVSA-N 1 0 315.461 2.475 20 70 DEIDRO CCCCNC(=O)CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159628164 402327125 /nfs/dbraw/zinc/32/71/25/402327125.db2.gz CRKUHHRTXPLISZ-LJQANCHMSA-N 1 0 316.445 2.467 20 70 DEIDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)oc1C ZINC000160112923 402336379 /nfs/dbraw/zinc/33/63/79/402336379.db2.gz VBGIMAYPJKSMJG-UHFFFAOYSA-N 1 0 301.390 2.495 20 70 DEIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCOC1 ZINC000160202546 402338208 /nfs/dbraw/zinc/33/82/08/402338208.db2.gz HUSKGZVCFXMTBH-UMVBOHGHSA-N 1 0 306.381 2.336 20 70 DEIDRO COc1ccc(N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000161440746 286322857 /nfs/dbraw/zinc/32/28/57/286322857.db2.gz YCOFOLOIIQUDRX-LBPRGKRZSA-N 1 0 312.797 2.080 20 70 DEIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384187 274117489 /nfs/dbraw/zinc/11/74/89/274117489.db2.gz QTUZZEAFHMKURY-GWCFXTLKSA-N 1 0 304.369 2.400 20 70 DEIDRO COC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160828319 277266111 /nfs/dbraw/zinc/26/61/11/277266111.db2.gz PGYWILBDDALKGU-LSDHHAIUSA-N 1 0 309.454 2.071 20 70 DEIDRO CC(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160654848 519835049 /nfs/dbraw/zinc/83/50/49/519835049.db2.gz SQYLHYWWBMDLIP-QGZVFWFLSA-N 1 0 304.434 2.387 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000160397850 519848859 /nfs/dbraw/zinc/84/88/59/519848859.db2.gz FSGKSJGXZIMZJP-UHFFFAOYSA-N 1 0 308.426 2.070 20 70 DEIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000160597086 519903339 /nfs/dbraw/zinc/90/33/39/519903339.db2.gz RMUKRTVJCSMUPU-CYBMUJFWSA-N 1 0 300.406 2.411 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000159914842 521607784 /nfs/dbraw/zinc/60/77/84/521607784.db2.gz RHMVXYWWCDEPNS-MRXNPFEDSA-N 1 0 319.449 2.500 20 70 DEIDRO C[N@H+](CCCNC(=O)NO[C@H]1CCCCO1)Cc1ccccc1 ZINC000161477998 522762592 /nfs/dbraw/zinc/76/25/92/522762592.db2.gz VEUZXKPQHZXBCL-INIZCTEOSA-N 1 0 321.421 2.266 20 70 DEIDRO CC[C@H](O)CCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000160967470 522797176 /nfs/dbraw/zinc/79/71/76/522797176.db2.gz CHZYOUPCGCNKSD-KRWDZBQOSA-N 1 0 321.465 2.489 20 70 DEIDRO COCCOC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000160481810 523973790 /nfs/dbraw/zinc/97/37/90/523973790.db2.gz SXECMERYHZYXOS-UHFFFAOYSA-N 1 0 303.406 2.270 20 70 DEIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NOCc2cccnc2)C1 ZINC000161075440 524885073 /nfs/dbraw/zinc/88/50/73/524885073.db2.gz SSCMFWAEZJBEAI-GJZGRUSLSA-N 1 0 320.437 2.180 20 70 DEIDRO C[C@H](Oc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159867951 525953484 /nfs/dbraw/zinc/95/34/84/525953484.db2.gz AWXPZCJCVMVIMW-AWEZNQCLSA-N 1 0 302.418 2.445 20 70 DEIDRO O=C([C@@H]1CCCCO1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000160378688 526466437 /nfs/dbraw/zinc/46/64/37/526466437.db2.gz MEHZQZAMWAUCKX-IRXDYDNUSA-N 1 0 302.418 2.336 20 70 DEIDRO c1cncc(CN2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161459559 526545564 /nfs/dbraw/zinc/54/55/64/526545564.db2.gz ZHMCSFNABSLVIO-UHFFFAOYSA-N 1 0 302.466 2.075 20 70 DEIDRO CC(C)(CNC(=O)C[NH2+]C[C@H]1CCCO1)Cc1ccccc1 ZINC000159487117 527107425 /nfs/dbraw/zinc/10/74/25/527107425.db2.gz GTMJJUCTLTWZHU-MRXNPFEDSA-N 1 0 304.434 2.140 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000161066079 539589267 /nfs/dbraw/zinc/58/92/67/539589267.db2.gz GXHCLUUARHOFGT-HOTGVXAUSA-N 1 0 320.408 2.260 20 70 DEIDRO CC[N@H+](CCCCS(C)(=O)=O)Cc1ccc2c(c1)OCO2 ZINC000161321574 539591247 /nfs/dbraw/zinc/59/12/47/539591247.db2.gz JSYSKBXXPVRVHH-UHFFFAOYSA-N 1 0 313.419 2.062 20 70 DEIDRO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159650307 186133154 /nfs/dbraw/zinc/13/31/54/186133154.db2.gz KTFYQKYUAGXVQD-HIFRSBDPSA-N 1 0 310.825 2.049 20 70 DEIDRO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159752810 186139684 /nfs/dbraw/zinc/13/96/84/186139684.db2.gz GXQONIJGGLWQTQ-QRTARXTBSA-N 1 0 302.418 2.057 20 70 DEIDRO C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCCC1 ZINC000159756551 186140030 /nfs/dbraw/zinc/14/00/30/186140030.db2.gz BZWADMABFDPIAZ-RBSFLKMASA-N 1 0 311.470 2.364 20 70 DEIDRO CC(C)c1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)on1 ZINC000160000385 355963219 /nfs/dbraw/zinc/96/32/19/355963219.db2.gz VUDYDGJTDMZBOY-OAHLLOKOSA-N 1 0 308.426 2.280 20 70 DEIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160586689 197423768 /nfs/dbraw/zinc/42/37/68/197423768.db2.gz YZENRXCMZLLDKX-WDEREUQCSA-N 1 0 318.339 2.455 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1 ZINC000160500469 197416989 /nfs/dbraw/zinc/41/69/89/197416989.db2.gz BXVAPWYMJJBSAN-VMZHVLLKSA-N 1 0 315.236 2.344 20 70 DEIDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000160370251 197404745 /nfs/dbraw/zinc/40/47/45/197404745.db2.gz XUGJASHSTYMDRZ-JTQLQIEISA-N 1 0 300.324 2.057 20 70 DEIDRO COCC[NH+]1CCC(NC(=O)C2CCC(F)(F)CC2)CC1 ZINC000160300236 197399553 /nfs/dbraw/zinc/39/95/53/197399553.db2.gz WVAGPJVLTRIMBX-UHFFFAOYSA-N 1 0 304.381 2.039 20 70 DEIDRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000160224897 197393827 /nfs/dbraw/zinc/39/38/27/197393827.db2.gz SAWKJRBPDADZLF-APPDUMDISA-N 1 0 313.401 2.226 20 70 DEIDRO C[C@H](CCO)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000160203332 197392834 /nfs/dbraw/zinc/39/28/34/197392834.db2.gz RKSNXOQYXHWTIK-HUUCEWRRSA-N 1 0 319.449 2.282 20 70 DEIDRO CC(C)([NH3+])CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000160060980 197382406 /nfs/dbraw/zinc/38/24/06/197382406.db2.gz CPRGXRPKYIOGAY-UHFFFAOYSA-N 1 0 311.223 2.334 20 70 DEIDRO CCCOc1ccc(/C=C/C(=O)NCCC[NH3+])cc1OCC ZINC000160137902 197388659 /nfs/dbraw/zinc/38/86/59/197388659.db2.gz MZCOWSBSKYBSOR-VQHVLOKHSA-N 1 0 306.406 2.352 20 70 DEIDRO CCc1c(C(=O)NCCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000160004224 197379645 /nfs/dbraw/zinc/37/96/45/197379645.db2.gz XFDQFDCYBNSOSB-UHFFFAOYSA-N 1 0 306.797 2.167 20 70 DEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)OC ZINC000160003784 197379679 /nfs/dbraw/zinc/37/96/79/197379679.db2.gz JHFQMZUZDHQTCH-AWEZNQCLSA-N 1 0 305.422 2.181 20 70 DEIDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160642244 291668703 /nfs/dbraw/zinc/66/87/03/291668703.db2.gz ADYCQMRKGBHHCF-NXHRZFHOSA-N 1 0 318.461 2.265 20 70 DEIDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161499283 291675500 /nfs/dbraw/zinc/67/55/00/291675500.db2.gz HEJDMOLAJDWOAT-RISCZKNCSA-N 1 0 322.371 2.023 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000159425269 197352567 /nfs/dbraw/zinc/35/25/67/197352567.db2.gz VAPJDNHOQRDLLQ-XIRDDKMYSA-N 1 0 318.417 2.450 20 70 DEIDRO O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000159420565 197352323 /nfs/dbraw/zinc/35/23/23/197352323.db2.gz XGDNSKQKDFBURG-YESZJQIVSA-N 1 0 318.417 2.450 20 70 DEIDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1 ZINC000159415075 197352328 /nfs/dbraw/zinc/35/23/28/197352328.db2.gz UZIDMKRVCNSTRQ-UHFFFAOYSA-N 1 0 315.417 2.089 20 70 DEIDRO [NH3+]C1(CNC(=O)CCc2ccc3c(c2)OCCO3)CCCCC1 ZINC000159606849 402326499 /nfs/dbraw/zinc/32/64/99/402326499.db2.gz VPKXAQLEKVMIKJ-UHFFFAOYSA-N 1 0 318.417 2.168 20 70 DEIDRO C[NH+](C)CCCNC(=O)NCc1ccccc1Br ZINC000217314303 402291974 /nfs/dbraw/zinc/29/19/74/402291974.db2.gz WJJLYLWVZQYYSX-UHFFFAOYSA-N 1 0 314.227 2.200 20 70 DEIDRO CCn1ccnc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000217799215 402293940 /nfs/dbraw/zinc/29/39/40/402293940.db2.gz SECXRIBBKXNSOS-UHFFFAOYSA-N 1 0 308.426 2.392 20 70 DEIDRO CCN(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000218310045 402295431 /nfs/dbraw/zinc/29/54/31/402295431.db2.gz MWORHVLJYXINJM-OAHLLOKOSA-N 1 0 312.841 2.154 20 70 DEIDRO COc1cc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])ccc1OC(C)C ZINC000160334384 402340824 /nfs/dbraw/zinc/34/08/24/402340824.db2.gz LRPGRSWLASTBIB-LOWQCSRCSA-N 1 0 318.417 2.445 20 70 DEIDRO Cc1nc(CN2CCN(CCC[NH+]3CCCCC3)CC2)cs1 ZINC000160426217 402345523 /nfs/dbraw/zinc/34/55/23/402345523.db2.gz AHYLLRQRKCMXMA-UHFFFAOYSA-N 1 0 322.522 2.445 20 70 DEIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000160498488 402348333 /nfs/dbraw/zinc/34/83/33/402348333.db2.gz IHGRXUOFLCDCGQ-BBRMVZONSA-N 1 0 306.406 2.137 20 70 DEIDRO CCC(CC)c1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)on1 ZINC000160504763 402349011 /nfs/dbraw/zinc/34/90/11/402349011.db2.gz TZBPSJGRJSIJJO-AWEZNQCLSA-N 1 0 323.437 2.155 20 70 DEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000160529779 402349505 /nfs/dbraw/zinc/34/95/05/402349505.db2.gz BTPCCNGIQFZLBR-KGLIPLIRSA-N 1 0 312.454 2.155 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2csc(CCc3ccccc3)n2)C1 ZINC000160627454 402354553 /nfs/dbraw/zinc/35/45/53/402354553.db2.gz LLWWXRTVKXGWTR-AWEZNQCLSA-N 1 0 315.442 2.362 20 70 DEIDRO CC(C)[NH+](CCCNC(=O)c1cnc2c(c1)ncn2C)C(C)C ZINC000160679812 402356614 /nfs/dbraw/zinc/35/66/14/402356614.db2.gz CXHWMRYRVRHZRA-UHFFFAOYSA-N 1 0 317.437 2.207 20 70 DEIDRO COC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CC[NH2+]CC1 ZINC000160905356 402364694 /nfs/dbraw/zinc/36/46/94/402364694.db2.gz MYIIKUWIAISVBC-UHFFFAOYSA-N 1 0 306.406 2.489 20 70 DEIDRO COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccnc(C)c1 ZINC000160919024 402365401 /nfs/dbraw/zinc/36/54/01/402365401.db2.gz ABHSAKVPTMGCSK-UHFFFAOYSA-N 1 0 324.333 2.117 20 70 DEIDRO C[N@H+](C[C@H]1CCC[C@@H]1O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161032614 402369913 /nfs/dbraw/zinc/36/99/13/402369913.db2.gz RLJLYXNMQIXFHF-CVEARBPZSA-N 1 0 310.482 2.364 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000161040117 402370456 /nfs/dbraw/zinc/37/04/56/402370456.db2.gz HSMWSTFUCIWIHP-YPMHNXCESA-N 1 0 304.390 2.203 20 70 DEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CC2)CC1 ZINC000161200134 402376900 /nfs/dbraw/zinc/37/69/00/402376900.db2.gz VNEAGOQMYHJNOQ-CYBMUJFWSA-N 1 0 302.422 2.411 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000161252677 402379447 /nfs/dbraw/zinc/37/94/47/402379447.db2.gz PZTFSQWLWOLQQE-UHFFFAOYSA-N 1 0 315.461 2.476 20 70 DEIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2(C)CCC2)[C@H](C)C1 ZINC000161304159 402381441 /nfs/dbraw/zinc/38/14/41/402381441.db2.gz MITUMAAZBXXVTK-HUUCEWRRSA-N 1 0 311.470 2.365 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161327998 402382600 /nfs/dbraw/zinc/38/26/00/402382600.db2.gz ONDMTEFUPTYBKQ-SJORKVTESA-N 1 0 302.418 2.194 20 70 DEIDRO C[C@H](C(=O)N1CCOC[C@@H]1C1CC1)N1CCc2ccccc2C1 ZINC000161348528 402384293 /nfs/dbraw/zinc/38/42/93/402384293.db2.gz WEQITICULFDZIA-RDTXWAMCSA-N 1 0 314.429 2.071 20 70 DEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C)N2CCc3ccccc32)CC1 ZINC000161391077 402385801 /nfs/dbraw/zinc/38/58/01/402385801.db2.gz MJHFSKGZWDCWSS-RWBZWWBESA-N 1 0 315.461 2.475 20 70 DEIDRO Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)CO2 ZINC000159715202 402329205 /nfs/dbraw/zinc/32/92/05/402329205.db2.gz ZAOSONRVWAVJSA-HNNXBMFYSA-N 1 0 305.422 2.410 20 70 DEIDRO CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159786615 402330864 /nfs/dbraw/zinc/33/08/64/402330864.db2.gz AWSBMRFPMYEYNO-CYBMUJFWSA-N 1 0 300.324 2.444 20 70 DEIDRO C[C@@H](CNC(=O)N1CCc2cccc(F)c2C1)[N@H+](C)C1CC1 ZINC000159798018 402331055 /nfs/dbraw/zinc/33/10/55/402331055.db2.gz UPKKGHIFLZSGLM-LBPRGKRZSA-N 1 0 305.397 2.376 20 70 DEIDRO CCO[C@H]1C[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C12CCC2 ZINC000159907437 402333073 /nfs/dbraw/zinc/33/30/73/402333073.db2.gz QUEBABFMOUDDHM-GJZGRUSLSA-N 1 0 309.454 2.071 20 70 DEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(CCOC)CCC1 ZINC000160100418 402336339 /nfs/dbraw/zinc/33/63/39/402336339.db2.gz QPPATQSYBPFDFF-HNNXBMFYSA-N 1 0 311.470 2.367 20 70 DEIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262044 402339230 /nfs/dbraw/zinc/33/92/30/402339230.db2.gz JCULFYSCXLOXLU-JSGCOSHPSA-N 1 0 324.446 2.408 20 70 DEIDRO Cc1cnccc1CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000159920163 279026677 /nfs/dbraw/zinc/02/66/77/279026677.db2.gz LTGNRZYKVJVRFV-GOEBONIOSA-N 1 0 318.465 2.352 20 70 DEIDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)N(C)C1CC1 ZINC000218561091 337339771 /nfs/dbraw/zinc/33/97/71/337339771.db2.gz SUDFFJFQWKECND-IUODEOHRSA-N 1 0 312.841 2.152 20 70 DEIDRO CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160972368 519049853 /nfs/dbraw/zinc/04/98/53/519049853.db2.gz DERKQHZZHONFDI-GOEBONIOSA-N 1 0 304.434 2.133 20 70 DEIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1cccn1C ZINC000160474561 523023743 /nfs/dbraw/zinc/02/37/43/523023743.db2.gz FNQZWMZQLLSGSZ-HNNXBMFYSA-N 1 0 306.454 2.431 20 70 DEIDRO COc1ccc(CNC(=O)C2([NH3+])CC2)c(OC2CCCC2)c1 ZINC000160898747 524045615 /nfs/dbraw/zinc/04/56/15/524045615.db2.gz XUTXAORUEBJWOU-UHFFFAOYSA-N 1 0 304.390 2.124 20 70 DEIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2nccs2)CC1 ZINC000161353909 524051321 /nfs/dbraw/zinc/05/13/21/524051321.db2.gz UBDSMVWBQMYVRR-UHFFFAOYSA-N 1 0 324.494 2.449 20 70 DEIDRO COc1ccccc1OCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159506201 524668434 /nfs/dbraw/zinc/66/84/34/524668434.db2.gz QUZMVWXLHYVETG-UHFFFAOYSA-N 1 0 306.406 2.242 20 70 DEIDRO COc1cccc(OCCC[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000160992611 526231041 /nfs/dbraw/zinc/23/10/41/526231041.db2.gz YQUMVRSKBIHASC-KRWDZBQOSA-N 1 0 314.385 2.280 20 70 DEIDRO COc1ccccc1[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccn1 ZINC000159820155 539584097 /nfs/dbraw/zinc/58/40/97/539584097.db2.gz ZTUZNTKPJGWHEU-GUYCJALGSA-N 1 0 313.401 2.246 20 70 DEIDRO CC(C)(C[NH2+]C1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000159891611 539584158 /nfs/dbraw/zinc/58/41/58/539584158.db2.gz UKWBTGVAIMXIEM-UHFFFAOYSA-N 1 0 310.463 2.068 20 70 DEIDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ncn1 ZINC000161304718 539590106 /nfs/dbraw/zinc/59/01/06/539590106.db2.gz ISCUXVOKDRUKHR-CQSZACIVSA-N 1 0 316.430 2.413 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CCOCc1ccc(OC)cc1 ZINC000160463489 539586679 /nfs/dbraw/zinc/58/66/79/539586679.db2.gz SEIMSGMWKIORPB-UHFFFAOYSA-N 1 0 308.422 2.236 20 70 DEIDRO CNC(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159662254 186133639 /nfs/dbraw/zinc/13/36/39/186133639.db2.gz DLJOEEGKXSLZBA-PMPSAXMXSA-N 1 0 300.402 2.093 20 70 DEIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159666571 186134316 /nfs/dbraw/zinc/13/43/16/186134316.db2.gz GDNDWSDXFIWWLD-ZOBUZTSGSA-N 1 0 304.434 2.204 20 70 DEIDRO C[C@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000159697648 186136562 /nfs/dbraw/zinc/13/65/62/186136562.db2.gz DFRJFTKQMFHPHK-GHMZBOCLSA-N 1 0 318.343 2.410 20 70 DEIDRO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159733877 186137855 /nfs/dbraw/zinc/13/78/55/186137855.db2.gz KSZOUFROGOPEQT-UHFFFAOYSA-N 1 0 312.417 2.268 20 70 DEIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(OC)nn2)C1 ZINC000159752260 186139540 /nfs/dbraw/zinc/13/95/40/186139540.db2.gz JHAMBVFESGAHLI-CYBMUJFWSA-N 1 0 320.437 2.116 20 70 DEIDRO Cc1csc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000160770899 355966873 /nfs/dbraw/zinc/96/68/73/355966873.db2.gz NXHNBYXRKSSVRJ-ZDUSSCGKSA-N 1 0 322.478 2.470 20 70 DEIDRO CCNC(=O)c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161331798 197486043 /nfs/dbraw/zinc/48/60/43/197486043.db2.gz VHDKRHUBIBTKEX-UHFFFAOYSA-N 1 0 318.417 2.212 20 70 DEIDRO CC(=O)Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161286008 197481747 /nfs/dbraw/zinc/48/17/47/197481747.db2.gz MMFZLOPOHPSDGQ-UHFFFAOYSA-N 1 0 304.390 2.420 20 70 DEIDRO Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160599502 197425201 /nfs/dbraw/zinc/42/52/01/197425201.db2.gz KKZNDAKGSAKGQS-MRXNPFEDSA-N 1 0 320.481 2.206 20 70 DEIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1 ZINC000160638887 197427588 /nfs/dbraw/zinc/42/75/88/197427588.db2.gz CFQQDCHBRBDYGK-UNEWFSDZSA-N 1 0 300.406 2.469 20 70 DEIDRO O=C(Cc1ccsc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160303393 197398906 /nfs/dbraw/zinc/39/89/06/197398906.db2.gz GYUNDYDWZWUTJC-HZPDHXFCSA-N 1 0 322.474 2.175 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2csc(Br)c2)C1 ZINC000160236384 197395198 /nfs/dbraw/zinc/39/51/98/197395198.db2.gz DSVKZFBORFXPIC-GPYPMJJRSA-N 1 0 301.209 2.083 20 70 DEIDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CO)C1 ZINC000160127493 197387671 /nfs/dbraw/zinc/38/76/71/197387671.db2.gz WBYFQUDXXKVQOJ-OLZOCXBDSA-N 1 0 300.443 2.430 20 70 DEIDRO CC(C)([NH3+])CNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000160121365 197387511 /nfs/dbraw/zinc/38/75/11/197387511.db2.gz WDVGUDNDJFYRTL-UHFFFAOYSA-N 1 0 324.331 2.145 20 70 DEIDRO COc1cc(F)c([C@H](C)NC(=O)C2CC[NH2+]CC2)cc1OC ZINC000159962559 197377318 /nfs/dbraw/zinc/37/73/18/197377318.db2.gz IMRNMWILAUPPRO-JTQLQIEISA-N 1 0 310.369 2.020 20 70 DEIDRO CC[C@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)[NH+](C)C ZINC000159957403 197376318 /nfs/dbraw/zinc/37/63/18/197376318.db2.gz CZESAZHPAGGCKU-QGZVFWFLSA-N 1 0 303.450 2.454 20 70 DEIDRO C[C@H]1C[C@H](NC(=O)N2CCOC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159883853 197371246 /nfs/dbraw/zinc/37/12/46/197371246.db2.gz QTSFKULCQGABEZ-ZOBUZTSGSA-N 1 0 317.433 2.080 20 70 DEIDRO CCCOc1ccc(/C=C/C(=O)N2CC[NH2+]CC2)cc1OCC ZINC000159429250 197353089 /nfs/dbraw/zinc/35/30/89/197353089.db2.gz JFTHAUXMJQOYBF-SOFGYWHQSA-N 1 0 318.417 2.319 20 70 DEIDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159424246 197352059 /nfs/dbraw/zinc/35/20/59/197352059.db2.gz UAFLDJPJFYVHSC-NXEZZACHSA-N 1 0 302.296 2.395 20 70 DEIDRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)C[NH+]1CCCC1 ZINC000159377778 197348284 /nfs/dbraw/zinc/34/82/84/197348284.db2.gz XLXOAFPMUQKWPH-ZDUSSCGKSA-N 1 0 307.413 2.353 20 70 DEIDRO COC1(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)CC[NH2+]CC1 ZINC000159894039 292092471 /nfs/dbraw/zinc/09/24/71/292092471.db2.gz PFFWSHTVMQZHTD-JKSUJKDBSA-N 1 0 316.445 2.468 20 70 DEIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000159386347 402322656 /nfs/dbraw/zinc/32/26/56/402322656.db2.gz JMTKBPNWSLMFDX-MRXNPFEDSA-N 1 0 321.852 2.254 20 70 DEIDRO [NH3+][C@H](C(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000217361676 402291719 /nfs/dbraw/zinc/29/17/19/402291719.db2.gz OQXSLSGRTZWFRD-IBGZPJMESA-N 1 0 323.440 2.073 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1F ZINC000160392680 402343405 /nfs/dbraw/zinc/34/34/05/402343405.db2.gz VYFYJJBEJUJJGE-CQSZACIVSA-N 1 0 308.397 2.441 20 70 DEIDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160543757 402350653 /nfs/dbraw/zinc/35/06/53/402350653.db2.gz HRIXHTISQOQIPZ-IAGOWNOFSA-N 1 0 323.481 2.317 20 70 DEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160548263 402350755 /nfs/dbraw/zinc/35/07/55/402350755.db2.gz FRFPZVSWGFASKR-MDZLAQPJSA-N 1 0 316.243 2.175 20 70 DEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000160551783 402350907 /nfs/dbraw/zinc/35/09/07/402350907.db2.gz INUMCPKWEJFVIZ-HUUCEWRRSA-N 1 0 308.447 2.246 20 70 DEIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)s2)CCO1 ZINC000160557725 402351501 /nfs/dbraw/zinc/35/15/01/402351501.db2.gz STQQJCSAVBCIMD-LBPRGKRZSA-N 1 0 311.451 2.027 20 70 DEIDRO COC(=O)c1csc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000160646418 402354995 /nfs/dbraw/zinc/35/49/95/402354995.db2.gz YATAALKQQQJSKD-LBPRGKRZSA-N 1 0 321.402 2.013 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)C1 ZINC000160684112 402356791 /nfs/dbraw/zinc/35/67/91/402356791.db2.gz GWHGUOJZNYSGNN-GFCCVEGCSA-N 1 0 317.414 2.253 20 70 DEIDRO CN(C)c1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1 ZINC000161442028 402387816 /nfs/dbraw/zinc/38/78/16/402387816.db2.gz KLXCGMYKFDZILA-HNNXBMFYSA-N 1 0 310.401 2.156 20 70 DEIDRO CC(C)[NH+]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160774661 402360076 /nfs/dbraw/zinc/36/00/76/402360076.db2.gz VUZLQZJAJOHGGQ-UHFFFAOYSA-N 1 0 319.331 2.003 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000160813830 402361232 /nfs/dbraw/zinc/36/12/32/402361232.db2.gz QBICGCMEIXBWAU-MWLCHTKSSA-N 1 0 300.761 2.067 20 70 DEIDRO COCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160809042 402361350 /nfs/dbraw/zinc/36/13/50/402361350.db2.gz UCWAJELQTUFCET-OAHLLOKOSA-N 1 0 309.454 2.071 20 70 DEIDRO CCOC(=O)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000160844070 402362602 /nfs/dbraw/zinc/36/26/02/402362602.db2.gz QQPKSBADNYCUKE-CQSZACIVSA-N 1 0 318.417 2.354 20 70 DEIDRO C[N@H+](CC(=O)N1CCc2ccc(F)cc2C1)[C@@H]1CCSC1 ZINC000161479506 402388428 /nfs/dbraw/zinc/38/84/28/402388428.db2.gz DKOLPRXQKKMGAT-OAHLLOKOSA-N 1 0 308.422 2.148 20 70 DEIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cnn(C)c1 ZINC000161154884 402375526 /nfs/dbraw/zinc/37/55/26/402375526.db2.gz UMSHUONJKNOAQV-CYBMUJFWSA-N 1 0 302.426 2.021 20 70 DEIDRO COCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161170297 402375785 /nfs/dbraw/zinc/37/57/85/402375785.db2.gz ZZHPTKDLOSJZDJ-UHFFFAOYSA-N 1 0 304.434 2.394 20 70 DEIDRO CC[C@@H](Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(N)=O ZINC000161188784 402376715 /nfs/dbraw/zinc/37/67/15/402376715.db2.gz WXYKGBKBMGMWCX-QGZVFWFLSA-N 1 0 318.465 2.140 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000161246198 402378832 /nfs/dbraw/zinc/37/88/32/402378832.db2.gz GOXCMJWDYHNADG-DZGCQCFKSA-N 1 0 317.433 2.062 20 70 DEIDRO CC[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)[NH+](C)C ZINC000161373961 402385226 /nfs/dbraw/zinc/38/52/26/402385226.db2.gz CVLIVVXTIYGERB-HNNXBMFYSA-N 1 0 300.406 2.375 20 70 DEIDRO O=C(COc1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159733206 402329477 /nfs/dbraw/zinc/32/94/77/402329477.db2.gz WJONQBNXHCFBDE-UHFFFAOYSA-N 1 0 306.381 2.195 20 70 DEIDRO CCS[C@@H](C)c1noc(CSCCN2CCOCC2)n1 ZINC000159772399 402330276 /nfs/dbraw/zinc/33/02/76/402330276.db2.gz AKBNOPZPJZNTQW-NSHDSACASA-N 1 0 317.480 2.449 20 70 DEIDRO CCCCn1ncc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1C ZINC000159856887 402332406 /nfs/dbraw/zinc/33/24/06/402332406.db2.gz CFMGROBZCXBXII-OAHLLOKOSA-N 1 0 317.437 2.470 20 70 DEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000159888402 402332889 /nfs/dbraw/zinc/33/28/89/402332889.db2.gz GBUDJGPLOSKNHD-UHFFFAOYSA-N 1 0 322.416 2.145 20 70 DEIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159973062 402334162 /nfs/dbraw/zinc/33/41/62/402334162.db2.gz GHIAFNADSYQGEE-KBPBESRZSA-N 1 0 305.422 2.116 20 70 DEIDRO CN(C)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161496921 402389185 /nfs/dbraw/zinc/38/91/85/402389185.db2.gz MXUYRRGNXNNAQW-STQMWFEESA-N 1 0 307.413 2.494 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3c2cccc3OC)CC1 ZINC000159987829 402334971 /nfs/dbraw/zinc/33/49/71/402334971.db2.gz PLGFTUKFNPJXMB-INIZCTEOSA-N 1 0 317.433 2.420 20 70 DEIDRO CCOc1ccccc1C(=O)N1CCC([NH2+][C@@H](C)COC)CC1 ZINC000160012477 402335129 /nfs/dbraw/zinc/33/51/29/402335129.db2.gz MPLUKGOHZLQKGC-AWEZNQCLSA-N 1 0 320.433 2.314 20 70 DEIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160262166 402339466 /nfs/dbraw/zinc/33/94/66/402339466.db2.gz JCULFYSCXLOXLU-OCCSQVGLSA-N 1 0 324.446 2.408 20 70 DEIDRO CCN(CC[NH2+]C[C@@H](O)COc1ccccc1Cl)C1CC1 ZINC000218430210 337326346 /nfs/dbraw/zinc/32/63/46/337326346.db2.gz HQQODSKJUJPTLJ-CQSZACIVSA-N 1 0 312.841 2.154 20 70 DEIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccn1 ZINC000159863489 519777776 /nfs/dbraw/zinc/77/77/76/519777776.db2.gz YNDCKFHAEXMYPM-CYBMUJFWSA-N 1 0 320.437 2.151 20 70 DEIDRO CC[NH+]1CCC(NC(=O)NCc2ccnc(OC(C)C)c2)CC1 ZINC000159574826 521574709 /nfs/dbraw/zinc/57/47/09/521574709.db2.gz YCYKUBWHZNCMQK-UHFFFAOYSA-N 1 0 320.437 2.152 20 70 DEIDRO CC[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160051661 522327452 /nfs/dbraw/zinc/32/74/52/522327452.db2.gz GNWBPGOOCSAYKL-LBPRGKRZSA-N 1 0 311.223 2.334 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NCCOc1ccccc1C(C)C ZINC000159840862 525541621 /nfs/dbraw/zinc/54/16/21/525541621.db2.gz VJTPQVMKEVKVLZ-CQSZACIVSA-N 1 0 310.463 2.385 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000160824903 526226269 /nfs/dbraw/zinc/22/62/69/526226269.db2.gz UVPNVQKHKISZKL-INIZCTEOSA-N 1 0 318.465 2.352 20 70 DEIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000159777681 526862870 /nfs/dbraw/zinc/86/28/70/526862870.db2.gz DWBIYGJSWRZFOJ-UHFFFAOYSA-N 1 0 316.380 2.303 20 70 DEIDRO O=C(Cc1c(F)cccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159865662 527198897 /nfs/dbraw/zinc/19/88/97/527198897.db2.gz UPHJBKIWRGSICQ-UHFFFAOYSA-N 1 0 308.372 2.498 20 70 DEIDRO CN(CC1CC1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000159388211 282176638 /nfs/dbraw/zinc/17/66/38/282176638.db2.gz GJFWOZPAGLAQNH-GFCCVEGCSA-N 1 0 315.186 2.456 20 70 DEIDRO COc1cc(C)cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000159799785 539584058 /nfs/dbraw/zinc/58/40/58/539584058.db2.gz CRRUVKWFIAGBBW-AWEZNQCLSA-N 1 0 305.422 2.145 20 70 DEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000161158493 539588958 /nfs/dbraw/zinc/58/89/58/539588958.db2.gz NBOHEUKOFHEVPZ-WMLDXEAASA-N 1 0 314.437 2.187 20 70 DEIDRO CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161172466 539589359 /nfs/dbraw/zinc/58/93/59/539589359.db2.gz MFCKIPSQAYTQSA-JKSUJKDBSA-N 1 0 318.417 2.434 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccnc2N2CCCCC2)C1 ZINC000161218322 539590360 /nfs/dbraw/zinc/59/03/60/539590360.db2.gz QUWNFRCWDCHWSI-KBPBESRZSA-N 1 0 302.422 2.072 20 70 DEIDRO [NH3+]C1(CC(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)CCC1 ZINC000161341460 539591301 /nfs/dbraw/zinc/59/13/01/539591301.db2.gz NCFRWKKCNDQDMP-UHFFFAOYSA-N 1 0 314.345 2.015 20 70 DEIDRO CCCc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[nH]c(C)c1C(C)=O ZINC000161509400 539592091 /nfs/dbraw/zinc/59/20/91/539592091.db2.gz TWTFIVGAFGLIOA-OLZOCXBDSA-N 1 0 305.422 2.478 20 70 DEIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2cccc(F)c2C1 ZINC000159732029 186137940 /nfs/dbraw/zinc/13/79/40/186137940.db2.gz BLNXPLMRWNBQDB-ZDUSSCGKSA-N 1 0 317.408 2.378 20 70 DEIDRO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000218468769 356273598 /nfs/dbraw/zinc/27/35/98/356273598.db2.gz RGFUPRVMBLGOMA-SKDRFNHKSA-N 1 0 302.271 2.278 20 70 DEIDRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160303128 197399431 /nfs/dbraw/zinc/39/94/31/197399431.db2.gz GVCGUBQVKPNPOP-INIZCTEOSA-N 1 0 302.443 2.474 20 70 DEIDRO O=C(/C=C/c1ccco1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160309076 197399163 /nfs/dbraw/zinc/39/91/63/197399163.db2.gz RZMTUWABPYWGDK-FNQZAJIHSA-N 1 0 318.417 2.177 20 70 DEIDRO O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@@H]1CCCC[NH2+]1 ZINC000160274106 197397077 /nfs/dbraw/zinc/39/70/77/197397077.db2.gz IABKQBWJKPKVGA-QWHCGFSZSA-N 1 0 304.415 2.193 20 70 DEIDRO COc1ccc(C2(CNC(=O)[C@@H](C)[NH3+])CCCCC2)cc1OC ZINC000160140172 197388904 /nfs/dbraw/zinc/38/89/04/197388904.db2.gz RJRMOFGYTCMPPV-CYBMUJFWSA-N 1 0 320.433 2.369 20 70 DEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000160243834 197394547 /nfs/dbraw/zinc/39/45/47/197394547.db2.gz DQDTWUJPTJNRMX-RISCZKNCSA-N 1 0 318.808 2.356 20 70 DEIDRO CCn1nccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000159882515 197371206 /nfs/dbraw/zinc/37/12/06/197371206.db2.gz FOVPHIKNJVOUNZ-UHFFFAOYSA-N 1 0 306.454 2.028 20 70 DEIDRO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159773303 197363519 /nfs/dbraw/zinc/36/35/19/197363519.db2.gz LDJGIVLNYFJOSU-WBAXXEDZSA-N 1 0 316.445 2.053 20 70 DEIDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159509504 197358671 /nfs/dbraw/zinc/35/86/71/197358671.db2.gz PDPVPFUEBRLCBJ-ZETOZRRWSA-N 1 0 312.360 2.385 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159496298 197357531 /nfs/dbraw/zinc/35/75/31/197357531.db2.gz NJJCAFOIVJJLFC-AWEZNQCLSA-N 1 0 323.462 2.152 20 70 DEIDRO CS[C@H](C)CNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159759351 197361676 /nfs/dbraw/zinc/36/16/76/197361676.db2.gz NULQNRJWQVXHFY-XJFOESAGSA-N 1 0 301.500 2.404 20 70 DEIDRO CN(C)c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(F)c1 ZINC000159455706 197355149 /nfs/dbraw/zinc/35/51/49/197355149.db2.gz RYLDBHWVCRCVFI-GXTWGEPZSA-N 1 0 305.397 2.200 20 70 DEIDRO COc1cc(C(=O)N2CC[NH2+]CC2)ccc1OC1CCCC1 ZINC000159385754 197349478 /nfs/dbraw/zinc/34/94/78/197349478.db2.gz UECLWVMDCJPRJA-UHFFFAOYSA-N 1 0 304.390 2.062 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000159364064 197347436 /nfs/dbraw/zinc/34/74/36/197347436.db2.gz VXROTQLJCFPNJO-UWVGGRQHSA-N 1 0 304.312 2.345 20 70 DEIDRO CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000217807469 402293953 /nfs/dbraw/zinc/29/39/53/402293953.db2.gz HXFGJZRIZGQNQK-CYBMUJFWSA-N 1 0 308.426 2.392 20 70 DEIDRO Cc1c(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000160271448 402340118 /nfs/dbraw/zinc/34/01/18/402340118.db2.gz RGNASISCZHYHKM-CQSZACIVSA-N 1 0 321.469 2.040 20 70 DEIDRO Cc1ccc(C(=O)CCN2CCOC3(CCOCC3)C2)cc1 ZINC000160312658 402340428 /nfs/dbraw/zinc/34/04/28/402340428.db2.gz HDAHBWDZKKUMER-UHFFFAOYSA-N 1 0 303.402 2.449 20 70 DEIDRO C[C@H](N1CCN(CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC000161421897 402387175 /nfs/dbraw/zinc/38/71/75/402387175.db2.gz KNTZPKCQGYJPAE-AWEZNQCLSA-N 1 0 307.404 2.431 20 70 DEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000160529902 402349090 /nfs/dbraw/zinc/34/90/90/402349090.db2.gz BTPCCNGIQFZLBR-KBPBESRZSA-N 1 0 312.454 2.155 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000160612954 402353737 /nfs/dbraw/zinc/35/37/37/402353737.db2.gz QOHQBSGJHFDVFS-CYBMUJFWSA-N 1 0 323.234 2.301 20 70 DEIDRO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160607303 402354010 /nfs/dbraw/zinc/35/40/10/402354010.db2.gz QFGQJDQEXNGBBC-JTQLQIEISA-N 1 0 304.312 2.414 20 70 DEIDRO CC(C)[C@@H](CCO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160702094 402357350 /nfs/dbraw/zinc/35/73/50/402357350.db2.gz DJCLZAQWBCAIQU-IAGOWNOFSA-N 1 0 304.434 2.174 20 70 DEIDRO Cc1cccc(-c2nc(CC(=O)N3CCC[NH2+]CC3)cs2)c1 ZINC000160873522 402363713 /nfs/dbraw/zinc/36/37/13/402363713.db2.gz YRFWMBHBGKFRBG-UHFFFAOYSA-N 1 0 315.442 2.483 20 70 DEIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000161008991 402369193 /nfs/dbraw/zinc/36/91/93/402369193.db2.gz GSRHXLVGQSSBQU-RNCFNFMXSA-N 1 0 313.348 2.240 20 70 DEIDRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000161186166 402376673 /nfs/dbraw/zinc/37/66/73/402376673.db2.gz NEPUEWFVPXGGMU-MJEQTWJJSA-N 1 0 320.481 2.382 20 70 DEIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccco1 ZINC000161212166 402377422 /nfs/dbraw/zinc/37/74/22/402377422.db2.gz IDVCZXLZYALJEI-WMLDXEAASA-N 1 0 323.437 2.219 20 70 DEIDRO COc1ccc(OCC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161238807 402378702 /nfs/dbraw/zinc/37/87/02/402378702.db2.gz JCZBXQFVRDFBBS-UHFFFAOYSA-N 1 0 306.406 2.111 20 70 DEIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161489531 402388996 /nfs/dbraw/zinc/38/89/96/402388996.db2.gz UGOURROCLNPOEC-ANQUJSFKSA-N 1 0 304.434 2.203 20 70 DEIDRO C[C@@H](C(=O)N(C)C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161389208 402385706 /nfs/dbraw/zinc/38/57/06/402385706.db2.gz RXHIDUARKCYROX-AWEZNQCLSA-N 1 0 314.433 2.418 20 70 DEIDRO Cn1cnc2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cnc21 ZINC000159674763 402328363 /nfs/dbraw/zinc/32/83/63/402328363.db2.gz BNMGNSUJOBMFEY-INIZCTEOSA-N 1 0 323.400 2.001 20 70 DEIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ncccc1F ZINC000159750127 402329561 /nfs/dbraw/zinc/32/95/61/402329561.db2.gz PBUNDIJRCXYDCE-QWHCGFSZSA-N 1 0 308.401 2.140 20 70 DEIDRO CCCCn1ncc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000159856752 402332466 /nfs/dbraw/zinc/33/24/66/402332466.db2.gz CFMGROBZCXBXII-HNNXBMFYSA-N 1 0 317.437 2.470 20 70 DEIDRO Cc1onc(-c2ccncc2)c1C(=O)NCC1CC[NH+](C)CC1 ZINC000159907048 402333062 /nfs/dbraw/zinc/33/30/62/402333062.db2.gz IKSDUXQQUJBJEX-UHFFFAOYSA-N 1 0 314.389 2.117 20 70 DEIDRO C[NH+]1CCC(CNC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000159913246 402333741 /nfs/dbraw/zinc/33/37/41/402333741.db2.gz XIRAAQXGKFUZKO-UHFFFAOYSA-N 1 0 316.445 2.402 20 70 DEIDRO COc1ccc(-c2cnc(CCC(=O)NCC(C)(C)[NH3+])o2)cc1 ZINC000159924739 402333827 /nfs/dbraw/zinc/33/38/27/402333827.db2.gz ISXCGTJNUBVGRH-UHFFFAOYSA-N 1 0 317.389 2.136 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCC2(CCOC)CCCC2)CC1 ZINC000159988404 402335019 /nfs/dbraw/zinc/33/50/19/402335019.db2.gz RYBLPYSCPNTBTQ-UHFFFAOYSA-N 1 0 311.470 2.321 20 70 DEIDRO CCn1nccc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160064247 402335726 /nfs/dbraw/zinc/33/57/26/402335726.db2.gz RWEHWENGDSQMKG-UHFFFAOYSA-N 1 0 315.421 2.383 20 70 DEIDRO Cc1ccc(C(=O)CCN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000160128242 402336603 /nfs/dbraw/zinc/33/66/03/402336603.db2.gz CBDXCGXNZGZPAK-ZWKOTPCHSA-N 1 0 303.402 2.448 20 70 DEIDRO CC(C)CCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160162827 402337706 /nfs/dbraw/zinc/33/77/06/402337706.db2.gz JMSPWOJEENKEBL-OAHLLOKOSA-N 1 0 302.484 2.313 20 70 DEIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@H](C)O1 ZINC000160466729 274585818 /nfs/dbraw/zinc/58/58/18/274585818.db2.gz YFYCWGYXDCWMMF-OBJOEFQTSA-N 1 0 310.829 2.208 20 70 DEIDRO CC[NH+](CC)CCNC(=O)N(C)Cc1cc(Cl)cn1C ZINC000161486908 520670781 /nfs/dbraw/zinc/67/07/81/520670781.db2.gz IONOKOFVFAVMPV-UHFFFAOYSA-N 1 0 300.834 2.162 20 70 DEIDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC000160900641 522067576 /nfs/dbraw/zinc/06/75/76/522067576.db2.gz LFZRIVKFGYSLFV-ZDUSSCGKSA-N 1 0 320.433 2.488 20 70 DEIDRO COCc1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cs1 ZINC000160383145 523177205 /nfs/dbraw/zinc/17/72/05/523177205.db2.gz MWONYBXGDNIGIP-GFCCVEGCSA-N 1 0 311.451 2.140 20 70 DEIDRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159412197 523925159 /nfs/dbraw/zinc/92/51/59/523925159.db2.gz NLHNZIPGGFHIMN-CYBMUJFWSA-N 1 0 314.451 2.136 20 70 DEIDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160771030 539587791 /nfs/dbraw/zinc/58/77/91/539587791.db2.gz TYRLAKCGZLIXKR-DLBZAZTESA-N 1 0 304.434 2.299 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000161125481 539588993 /nfs/dbraw/zinc/58/89/93/539588993.db2.gz OEIWXZARQSWWRQ-VXGBXAGGSA-N 1 0 324.808 2.040 20 70 DEIDRO CC(C)OCC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000160196094 539585760 /nfs/dbraw/zinc/58/57/60/539585760.db2.gz OCYKDVANXCIDKJ-CQSZACIVSA-N 1 0 301.814 2.232 20 70 DEIDRO CCCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000161426135 539591117 /nfs/dbraw/zinc/59/11/17/539591117.db2.gz NHKHRRBJMPAPBP-LSDHHAIUSA-N 1 0 304.438 2.318 20 70 DEIDRO c1ncn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)n1 ZINC000159641779 186132528 /nfs/dbraw/zinc/13/25/28/186132528.db2.gz OYXJAZYSTSBYJP-BBWFWOEESA-N 1 0 310.401 2.315 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746876 186139320 /nfs/dbraw/zinc/13/93/20/186139320.db2.gz GGOJZYNJVUGMCF-JSGCOSHPSA-N 1 0 323.824 2.031 20 70 DEIDRO NC(=O)CC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000159745219 186139442 /nfs/dbraw/zinc/13/94/42/186139442.db2.gz NMURYLNYXGVXEG-UHFFFAOYSA-N 1 0 312.360 2.418 20 70 DEIDRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714636 299407513 /nfs/dbraw/zinc/40/75/13/299407513.db2.gz UZGBXBCEWSQDJN-WMLDXEAASA-N 1 0 312.417 2.434 20 70 DEIDRO CCCCOc1ccc(/C=C/C(=O)NCCC[NH3+])cc1OC ZINC000160101654 197385872 /nfs/dbraw/zinc/38/58/72/197385872.db2.gz MNOXLODQTNECHR-VQHVLOKHSA-N 1 0 306.406 2.352 20 70 DEIDRO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160080580 197384170 /nfs/dbraw/zinc/38/41/70/197384170.db2.gz HLVIQEQGPGJSLF-DOTOQJQBSA-N 1 0 304.434 2.143 20 70 DEIDRO C[C@@H](CNC(=O)N(C)CC1CCOCC1)[NH+]1CCC(C)CC1 ZINC000159785315 291658969 /nfs/dbraw/zinc/65/89/69/291658969.db2.gz MYXGWPZRBJAAQL-HNNXBMFYSA-N 1 0 311.470 2.175 20 70 DEIDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000159793542 197364745 /nfs/dbraw/zinc/36/47/45/197364745.db2.gz WTORTJBYAQAYKS-ZIAGYGMSSA-N 1 0 300.406 2.399 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000159770976 197362426 /nfs/dbraw/zinc/36/24/26/197362426.db2.gz GQNMJRFIMCWOGJ-LBPRGKRZSA-N 1 0 322.453 2.426 20 70 DEIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000159513185 197359830 /nfs/dbraw/zinc/35/98/30/197359830.db2.gz FLDJLUXUHNNYNZ-WQVCFCJDSA-N 1 0 311.447 2.434 20 70 DEIDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)s1 ZINC000159395637 197350197 /nfs/dbraw/zinc/35/01/97/197350197.db2.gz SCKJFMQQXCXESV-ZDUSSCGKSA-N 1 0 316.492 2.350 20 70 DEIDRO CCc1cccc2c(CCNC(=O)[C@H]([NH3+])CCSC)c[nH]c21 ZINC000159373685 197348426 /nfs/dbraw/zinc/34/84/26/197348426.db2.gz JKSBPRJPEVWDJP-OAHLLOKOSA-N 1 0 319.474 2.469 20 70 DEIDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159542692 402325501 /nfs/dbraw/zinc/32/55/01/402325501.db2.gz IWKMRTDGFGLLCC-OAHLLOKOSA-N 1 0 314.433 2.463 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCCOC2CCCCC2)CC1 ZINC000159558273 402325926 /nfs/dbraw/zinc/32/59/26/402325926.db2.gz DVUDEJWDXALANF-UHFFFAOYSA-N 1 0 311.470 2.463 20 70 DEIDRO Cc1ccccc1[C@@H]1CN(C(=O)C[NH2+]CC2CC2)[C@@H](C)CO1 ZINC000160411086 402344275 /nfs/dbraw/zinc/34/42/75/402344275.db2.gz RNVHMGOWSRKENT-YOEHRIQHSA-N 1 0 302.418 2.283 20 70 DEIDRO CC(=O)NC1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000161418529 402387032 /nfs/dbraw/zinc/38/70/32/402387032.db2.gz DDQRITRNNQHAAP-UHFFFAOYSA-N 1 0 318.417 2.385 20 70 DEIDRO c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000160442879 402345700 /nfs/dbraw/zinc/34/57/00/402345700.db2.gz HKVSFBGBTUXXAY-CQSZACIVSA-N 1 0 322.416 2.252 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000160478191 402347107 /nfs/dbraw/zinc/34/71/07/402347107.db2.gz WGGXKBMDHJNZPE-CABCVRRESA-N 1 0 323.481 2.049 20 70 DEIDRO CC(C)(O)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160585351 402352324 /nfs/dbraw/zinc/35/23/24/402352324.db2.gz ZFQVRBDVVGPUQA-UHFFFAOYSA-N 1 0 310.825 2.305 20 70 DEIDRO O=C(CCc1ccoc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160655448 402355469 /nfs/dbraw/zinc/35/54/69/402355469.db2.gz ZTDDBXUGKBHNGG-IRXDYDNUSA-N 1 0 320.433 2.096 20 70 DEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc2ccccc2s1 ZINC000160722640 402358383 /nfs/dbraw/zinc/35/83/83/402358383.db2.gz YRSJQPONBIZINI-UHFFFAOYSA-N 1 0 318.442 2.335 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C1 ZINC000160805115 402361182 /nfs/dbraw/zinc/36/11/82/402361182.db2.gz BTHARELICMLKLF-NSHDSACASA-N 1 0 318.808 2.174 20 70 DEIDRO CC[N@H+](CCNC(=O)c1cnn(C2CCOCC2)c1C)C(C)C ZINC000160811629 402361214 /nfs/dbraw/zinc/36/12/14/402361214.db2.gz YMYWVPIUVAWHRV-UHFFFAOYSA-N 1 0 322.453 2.003 20 70 DEIDRO CCC(CC)[C@H](CNC(=O)NCC[C@H](O)CC)[NH+]1CCCC1 ZINC000160902509 402364537 /nfs/dbraw/zinc/36/45/37/402364537.db2.gz XLZMKLPCYVAAOA-CVEARBPZSA-N 1 0 313.486 2.347 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC000161039364 402370491 /nfs/dbraw/zinc/37/04/91/402370491.db2.gz VCUIVGCNGMHVMW-UHFFFAOYSA-N 1 0 304.434 2.394 20 70 DEIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1(CCOC)CC1 ZINC000161052154 402371037 /nfs/dbraw/zinc/37/10/37/402371037.db2.gz ZIEFQCVJOGSNPL-CABCVRRESA-N 1 0 309.454 2.071 20 70 DEIDRO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000161087900 402372132 /nfs/dbraw/zinc/37/21/32/402372132.db2.gz BAUDSCOZAFHVLD-YOEHRIQHSA-N 1 0 302.418 2.365 20 70 DEIDRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+](C)C)cc1 ZINC000161209422 402377993 /nfs/dbraw/zinc/37/79/93/402377993.db2.gz UFZQLECTXLYODU-SJLPKXTDSA-N 1 0 319.449 2.154 20 70 DEIDRO Cc1cccc(C)c1OCCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000161231970 402378534 /nfs/dbraw/zinc/37/85/34/402378534.db2.gz TWEPGDWBFMMZSO-UHFFFAOYSA-N 1 0 305.422 2.205 20 70 DEIDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161246684 402379063 /nfs/dbraw/zinc/37/90/63/402379063.db2.gz KOCYAMVBBBUVPT-XHSDSOJGSA-N 1 0 321.465 2.116 20 70 DEIDRO Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)CO2 ZINC000159715065 402329203 /nfs/dbraw/zinc/32/92/03/402329203.db2.gz ZAOSONRVWAVJSA-OAHLLOKOSA-N 1 0 305.422 2.410 20 70 DEIDRO C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000159785160 402331092 /nfs/dbraw/zinc/33/10/92/402331092.db2.gz XYSJIQIOIWWPCH-RBSFLKMASA-N 1 0 311.470 2.362 20 70 DEIDRO C[C@H](SCCN1CCOCC1)C(=O)NC1CCC(C)CC1 ZINC000159956141 402334178 /nfs/dbraw/zinc/33/41/78/402334178.db2.gz ZHNDMUVMYYMMPR-SLTAFYQDSA-N 1 0 314.495 2.135 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000159980672 402334309 /nfs/dbraw/zinc/33/43/09/402334309.db2.gz RWSWJJQIKNJETQ-YMVOSSCXSA-N 1 0 320.477 2.166 20 70 DEIDRO CCOCCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000160138487 402336960 /nfs/dbraw/zinc/33/69/60/402336960.db2.gz ALZPDWUDWCOJHO-UHFFFAOYSA-N 1 0 315.417 2.352 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1 ZINC000160259758 402339529 /nfs/dbraw/zinc/33/95/29/402339529.db2.gz CZEWHGBXIGULAO-AWEZNQCLSA-N 1 0 315.442 2.492 20 70 DEIDRO Cc1c(Cl)cccc1OCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159681374 224712311 /nfs/dbraw/zinc/71/23/11/224712311.db2.gz UYGYHWKFFFPZQX-BETUJISGSA-N 1 0 308.809 2.380 20 70 DEIDRO C/C(=C/C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160545454 518409990 /nfs/dbraw/zinc/40/99/90/518409990.db2.gz SDNLWENAENUTPF-MLRPBERTSA-N 1 0 302.418 2.053 20 70 DEIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC000160084150 520400311 /nfs/dbraw/zinc/40/03/11/520400311.db2.gz RLWJXNQLKRWWSP-UHFFFAOYSA-N 1 0 320.437 2.069 20 70 DEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)nc1 ZINC000160104815 521592996 /nfs/dbraw/zinc/59/29/96/521592996.db2.gz QGZCMXIVSNQMBC-CQSZACIVSA-N 1 0 324.856 2.451 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2cccc(F)c2)CC1 ZINC000159916975 521607720 /nfs/dbraw/zinc/60/77/20/521607720.db2.gz HLHGAGWYMZFOTH-AWEZNQCLSA-N 1 0 323.412 2.330 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 ZINC000159623911 521608760 /nfs/dbraw/zinc/60/87/60/521608760.db2.gz IKZIZQJKWDTWHS-INIZCTEOSA-N 1 0 318.465 2.249 20 70 DEIDRO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000161338524 521813347 /nfs/dbraw/zinc/81/33/47/521813347.db2.gz HVBONEQDRKDARQ-HNNXBMFYSA-N 1 0 312.417 2.188 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1 ZINC000161182896 522021015 /nfs/dbraw/zinc/02/10/15/522021015.db2.gz UDWMSDVLHLQTHB-JKSUJKDBSA-N 1 0 321.465 2.386 20 70 DEIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](O)c1ccccc1 ZINC000159593570 524099704 /nfs/dbraw/zinc/09/97/04/524099704.db2.gz ZAIYVZJASJSJRY-WBVHZDCISA-N 1 0 304.434 2.491 20 70 DEIDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)O ZINC000160635105 524342696 /nfs/dbraw/zinc/34/26/96/524342696.db2.gz WASUAZYLPUWKDU-LBPRGKRZSA-N 1 0 312.841 2.438 20 70 DEIDRO C[C@@H](CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])Oc1ccc(F)cc1 ZINC000161122433 524710073 /nfs/dbraw/zinc/71/00/73/524710073.db2.gz KJMHLKFKYQVTPN-WYEAJDFLSA-N 1 0 306.381 2.083 20 70 DEIDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)O ZINC000160635265 526221479 /nfs/dbraw/zinc/22/14/79/526221479.db2.gz WASUAZYLPUWKDU-GFCCVEGCSA-N 1 0 312.841 2.438 20 70 DEIDRO O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159829682 526595482 /nfs/dbraw/zinc/59/54/82/526595482.db2.gz PUYVSZGSAQYHQI-UHFFFAOYSA-N 1 0 314.389 2.274 20 70 DEIDRO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(-n2cnnn2)c1 ZINC000159398291 539582119 /nfs/dbraw/zinc/58/21/19/539582119.db2.gz JHJAZMSKLPASGE-ZDUSSCGKSA-N 1 0 319.372 2.161 20 70 DEIDRO c1cn(-c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)cn1 ZINC000159577939 186128206 /nfs/dbraw/zinc/12/82/06/186128206.db2.gz LJVNPDJSZOVYRI-PVAVHDDUSA-N 1 0 310.401 2.315 20 70 DEIDRO c1cn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)cn1 ZINC000159577823 186128330 /nfs/dbraw/zinc/12/83/30/186128330.db2.gz LJVNPDJSZOVYRI-OIISXLGYSA-N 1 0 310.401 2.315 20 70 DEIDRO COCC[NH2+]CC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000159593354 186129633 /nfs/dbraw/zinc/12/96/33/186129633.db2.gz PQUDKRLJYWCKAG-UHFFFAOYSA-N 1 0 322.352 2.357 20 70 DEIDRO C[C@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000159701164 186136650 /nfs/dbraw/zinc/13/66/50/186136650.db2.gz VYTDDHACODOLMQ-SNVBAGLBSA-N 1 0 318.343 2.410 20 70 DEIDRO c1cn(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 ZINC000159740862 186138362 /nfs/dbraw/zinc/13/83/62/186138362.db2.gz XEYMFVFLTCEIED-OAHLLOKOSA-N 1 0 314.437 2.081 20 70 DEIDRO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000159938814 355963207 /nfs/dbraw/zinc/96/32/07/355963207.db2.gz DBTMWZSHLZRFBR-WBVHZDCISA-N 1 0 319.449 2.436 20 70 DEIDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160343674 283162726 /nfs/dbraw/zinc/16/27/26/283162726.db2.gz UZZAVZYRBQXDEN-NCOADZHNSA-N 1 0 321.465 2.070 20 70 DEIDRO CC[C@@H](C)CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160163786 197390586 /nfs/dbraw/zinc/39/05/86/197390586.db2.gz SHAGGEBZSNOSMT-CABCVRRESA-N 1 0 302.484 2.313 20 70 DEIDRO [NH3+]CCCNC(=O)CCSc1ccccc1Br ZINC000160052663 197382415 /nfs/dbraw/zinc/38/24/15/197382415.db2.gz SIUZSFYWEBFOKU-UHFFFAOYSA-N 1 0 317.252 2.396 20 70 DEIDRO Cc1cc(C(=O)NCCC[NH3+])c2ccc(Br)cc2n1 ZINC000160112898 197387018 /nfs/dbraw/zinc/38/70/18/197387018.db2.gz RWMVMWDQTRLYKS-UHFFFAOYSA-N 1 0 322.206 2.384 20 70 DEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)OC ZINC000160003935 197379766 /nfs/dbraw/zinc/37/97/66/197379766.db2.gz JHFQMZUZDHQTCH-CQSZACIVSA-N 1 0 305.422 2.181 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OCCCC(=O)OC)cc1 ZINC000159830452 197367634 /nfs/dbraw/zinc/36/76/34/197367634.db2.gz ZKASNBVQFLFBFO-CQSZACIVSA-N 1 0 308.378 2.085 20 70 DEIDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000161509140 291675674 /nfs/dbraw/zinc/67/56/74/291675674.db2.gz NABNRCSIGAXVFI-UHFFFAOYSA-N 1 0 324.396 2.447 20 70 DEIDRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159445407 197353944 /nfs/dbraw/zinc/35/39/44/197353944.db2.gz SBYFUWCJRWFSMN-HNNXBMFYSA-N 1 0 317.433 2.028 20 70 DEIDRO COCCN(C)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000159373712 402322121 /nfs/dbraw/zinc/32/21/21/402322121.db2.gz HPTFNYOFQIFMOS-HNNXBMFYSA-N 1 0 319.449 2.042 20 70 DEIDRO CC[C@@H](C)c1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000159426447 402323298 /nfs/dbraw/zinc/32/32/98/402323298.db2.gz UEDRGUWVYSVBPO-MCIONIFRSA-N 1 0 323.437 2.417 20 70 DEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000159568831 402325629 /nfs/dbraw/zinc/32/56/29/402325629.db2.gz WJNZNZJTFNREGE-CQSZACIVSA-N 1 0 320.437 2.260 20 70 DEIDRO Cc1cccc([C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160316626 402340689 /nfs/dbraw/zinc/34/06/89/402340689.db2.gz UDAVWOOIDAVEAG-DOTOQJQBSA-N 1 0 304.434 2.062 20 70 DEIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000160341290 402341520 /nfs/dbraw/zinc/34/15/20/402341520.db2.gz AILHCCRQGXTKFU-GOSISDBHSA-N 1 0 320.396 2.475 20 70 DEIDRO CC(C)OCCC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351466 402342366 /nfs/dbraw/zinc/34/23/66/402342366.db2.gz RDEOPOHSOZCWSC-ZDUSSCGKSA-N 1 0 314.451 2.142 20 70 DEIDRO CC[NH+]1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160426246 402345375 /nfs/dbraw/zinc/34/53/75/402345375.db2.gz DFUQZBKLUZBGMO-UHFFFAOYSA-N 1 0 319.331 2.051 20 70 DEIDRO Cc1nnc(CN2CCC(c3cnn(C)c3)CC2)n1C1CC1 ZINC000160450121 402346016 /nfs/dbraw/zinc/34/60/16/402346016.db2.gz WHNXVNKMUXORHZ-UHFFFAOYSA-N 1 0 300.410 2.035 20 70 DEIDRO CCc1ccc([C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160464601 402346514 /nfs/dbraw/zinc/34/65/14/402346514.db2.gz CRBKEWMECQHKMH-MAUKXSAKSA-N 1 0 318.461 2.316 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000160552782 402350731 /nfs/dbraw/zinc/35/07/31/402350731.db2.gz DKDQIKGFWASOIQ-NEPJUHHUSA-N 1 0 318.446 2.177 20 70 DEIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000160644519 402354917 /nfs/dbraw/zinc/35/49/17/402354917.db2.gz BNPVMAGOXZQBQQ-FUHWJXTLSA-N 1 0 303.450 2.187 20 70 DEIDRO C[C@@H]1C[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C ZINC000160660185 402356037 /nfs/dbraw/zinc/35/60/37/402356037.db2.gz XPGAHWZLCJSHRI-NJAFHUGGSA-N 1 0 315.461 2.422 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000160712850 402358063 /nfs/dbraw/zinc/35/80/63/402358063.db2.gz NFBUZFQALPCJEQ-OAHLLOKOSA-N 1 0 311.385 2.095 20 70 DEIDRO Cc1c(/C=C/C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000160993666 402368450 /nfs/dbraw/zinc/36/84/50/402368450.db2.gz USRMPPIOIIASQI-PZECUIMESA-N 1 0 318.465 2.224 20 70 DEIDRO CCCC[C@@H]([NH2+]Cc1cnn(C)c1)C(=O)Nc1cc(C)on1 ZINC000161141417 402374831 /nfs/dbraw/zinc/37/48/31/402374831.db2.gz XXMCCPXWMMVVIT-CYBMUJFWSA-N 1 0 305.382 2.004 20 70 DEIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1cc(C)ccc1C ZINC000161135622 402374844 /nfs/dbraw/zinc/37/48/44/402374844.db2.gz YWQDYECRTYKTLC-QGZVFWFLSA-N 1 0 317.433 2.299 20 70 DEIDRO CC[C@@](C)(O)C[NH+]1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000161162358 402376039 /nfs/dbraw/zinc/37/60/39/402376039.db2.gz NENWNAKOEJQKFC-QGZVFWFLSA-N 1 0 305.418 2.354 20 70 DEIDRO COCCC1(CNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000161160502 402376105 /nfs/dbraw/zinc/37/61/05/402376105.db2.gz AOHMFVFJODHFEY-UHFFFAOYSA-N 1 0 311.470 2.415 20 70 DEIDRO Cn1nncc1CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161472062 402388758 /nfs/dbraw/zinc/38/87/58/402388758.db2.gz RFSWUVHIKTXXQW-UHFFFAOYSA-N 1 0 319.384 2.193 20 70 DEIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000161250241 402379770 /nfs/dbraw/zinc/37/97/70/402379770.db2.gz FDMWQUIRTCZKQL-GPANFISMSA-N 1 0 310.825 2.410 20 70 DEIDRO CCc1nccn1[C@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161290813 402381035 /nfs/dbraw/zinc/38/10/35/402381035.db2.gz PQKXTIZPVAITPX-AWEZNQCLSA-N 1 0 306.454 2.374 20 70 DEIDRO COC(=O)C[C@H](C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161488487 402389111 /nfs/dbraw/zinc/38/91/11/402389111.db2.gz SRBKNBAHAFVTCG-FHERZECASA-N 1 0 324.465 2.345 20 70 DEIDRO Cc1csc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000159633660 402327092 /nfs/dbraw/zinc/32/70/92/402327092.db2.gz RAFJXHPIOGPQSK-UHFFFAOYSA-N 1 0 310.467 2.467 20 70 DEIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160101659 402335999 /nfs/dbraw/zinc/33/59/99/402335999.db2.gz QDGXVLNOCSBKOB-HOCLYGCPSA-N 1 0 318.417 2.109 20 70 DEIDRO CCC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1CCOC ZINC000160100955 402336406 /nfs/dbraw/zinc/33/64/06/402336406.db2.gz FTHHWCQVIQJQLC-INIZCTEOSA-N 1 0 323.481 2.317 20 70 DEIDRO COCCOc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1 ZINC000160123736 402336815 /nfs/dbraw/zinc/33/68/15/402336815.db2.gz TUXMJAGIFZQLQF-ZDUSSCGKSA-N 1 0 315.373 2.109 20 70 DEIDRO CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccnn1CC ZINC000160233642 402338963 /nfs/dbraw/zinc/33/89/63/402338963.db2.gz PSVQSRDYYOPGTJ-UHFFFAOYSA-N 1 0 318.396 2.180 20 70 DEIDRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160202139 267454850 /nfs/dbraw/zinc/45/48/50/267454850.db2.gz SMNZMOHMKSGFCS-CYBMUJFWSA-N 1 0 318.808 2.066 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000159941648 276868482 /nfs/dbraw/zinc/86/84/82/276868482.db2.gz YMNXEEDVMUTXDM-NSHDSACASA-N 1 0 323.245 2.351 20 70 DEIDRO CC[C@@H]1CCCCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000159371072 280238182 /nfs/dbraw/zinc/23/81/82/280238182.db2.gz KCZQJVXCNZRZHN-CQSZACIVSA-N 1 0 319.453 2.306 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000159919357 521608858 /nfs/dbraw/zinc/60/88/58/521608858.db2.gz WYKGOUMMYPKEMQ-INIZCTEOSA-N 1 0 319.449 2.500 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000159572950 521609364 /nfs/dbraw/zinc/60/93/64/521609364.db2.gz MYKRDJIVLRBDJI-HNNXBMFYSA-N 1 0 319.449 2.451 20 70 DEIDRO COc1cccc(CO[C@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159571447 526059268 /nfs/dbraw/zinc/05/92/68/526059268.db2.gz LTSLAEGWPNTVTG-CQSZACIVSA-N 1 0 320.433 2.378 20 70 DEIDRO O=C(C[C@@H]1C[NH2+]CCO1)NC(c1cccs1)c1cccs1 ZINC000159926642 527129443 /nfs/dbraw/zinc/12/94/43/527129443.db2.gz OCXLDWQXRMCZHD-LLVKDONJSA-N 1 0 322.455 2.394 20 70 DEIDRO CCc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000161502162 539591961 /nfs/dbraw/zinc/59/19/61/539591961.db2.gz BRBWSKUBFKGHMR-KBPBESRZSA-N 1 0 312.417 2.434 20 70 DEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc([S@](C)=O)cc1 ZINC000159538986 186125995 /nfs/dbraw/zinc/12/59/95/186125995.db2.gz HMRKYRDIOHIHHD-YEJXKQKISA-N 1 0 308.447 2.087 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000159549452 186126328 /nfs/dbraw/zinc/12/63/28/186126328.db2.gz MDIQSCRTPAXPFT-CYBMUJFWSA-N 1 0 315.421 2.361 20 70 DEIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159648164 186132936 /nfs/dbraw/zinc/13/29/36/186132936.db2.gz MDLCDSVYQOAOSN-DGCLKSJQSA-N 1 0 314.476 2.141 20 70 DEIDRO Cc1cccc([C@H](C)C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000159780875 355962040 /nfs/dbraw/zinc/96/20/40/355962040.db2.gz VRQGGHFGBHZOOV-KRWDZBQOSA-N 1 0 317.477 2.242 20 70 DEIDRO C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccsc1 ZINC000160143533 355963970 /nfs/dbraw/zinc/96/39/70/355963970.db2.gz SMCDAOWKDQEZGB-AWEZNQCLSA-N 1 0 323.506 2.241 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCSC2(CCCCC2)C1 ZINC000161450277 283846515 /nfs/dbraw/zinc/84/65/15/283846515.db2.gz AMNVTPCYHAMNHD-AWEZNQCLSA-N 1 0 312.479 2.033 20 70 DEIDRO CN(C)C1(C[NH2+]C[C@@H](O)COCc2cccs2)CCCC1 ZINC000160897432 197447910 /nfs/dbraw/zinc/44/79/10/197447910.db2.gz IQCVJQYAMJXROT-CQSZACIVSA-N 1 0 312.479 2.090 20 70 DEIDRO O[C@H](Cc1ccccc1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160303249 197399408 /nfs/dbraw/zinc/39/94/08/197399408.db2.gz GVCGUBQVKPNPOP-MRXNPFEDSA-N 1 0 302.443 2.474 20 70 DEIDRO COc1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1OCC(C)C ZINC000160229286 197394255 /nfs/dbraw/zinc/39/42/55/197394255.db2.gz AFUYEOHNZWYPHP-AWEZNQCLSA-N 1 0 306.406 2.293 20 70 DEIDRO CCNC(=O)c1cccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000160178190 197391478 /nfs/dbraw/zinc/39/14/78/197391478.db2.gz NUVYIHCEZLWFOH-ZQIUZPCESA-N 1 0 303.450 2.255 20 70 DEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1OC ZINC000160103111 197386575 /nfs/dbraw/zinc/38/65/75/197386575.db2.gz HRINRWZUMHYECG-UTUOFQBUSA-N 1 0 322.371 2.333 20 70 DEIDRO O=S(=O)(Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160112602 197386685 /nfs/dbraw/zinc/38/66/85/197386685.db2.gz HBFYJZGCTDYMHA-QGZVFWFLSA-N 1 0 322.474 2.467 20 70 DEIDRO Cc1onc(-c2ccccn2)c1C(=O)NCC1CC[NH+](C)CC1 ZINC000159912800 197372969 /nfs/dbraw/zinc/37/29/69/197372969.db2.gz BUEDPCFFBARTFG-UHFFFAOYSA-N 1 0 314.389 2.117 20 70 DEIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000159382087 197349795 /nfs/dbraw/zinc/34/97/95/197349795.db2.gz WQYXJWKNAIAWFA-LSDHHAIUSA-N 1 0 300.468 2.137 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000159379955 197349564 /nfs/dbraw/zinc/34/95/64/197349564.db2.gz GPQAWVIZWRHAAN-HNNXBMFYSA-N 1 0 321.469 2.171 20 70 DEIDRO CC[NH+]1CCC(NC(=O)CCc2nnc(C3CCCC3)o2)CC1 ZINC000159583839 402326487 /nfs/dbraw/zinc/32/64/87/402326487.db2.gz XKOJESHEOPCSDI-UHFFFAOYSA-N 1 0 320.437 2.260 20 70 DEIDRO CC(C)c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(N(C)C)n1 ZINC000160406097 402344148 /nfs/dbraw/zinc/34/41/48/402344148.db2.gz ADAMCZIAXUTTKK-CHWSQXEVSA-N 1 0 305.426 2.431 20 70 DEIDRO CC(=O)Nc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160425743 402344505 /nfs/dbraw/zinc/34/45/05/402344505.db2.gz RZZVAUOGWLBWAW-QGZVFWFLSA-N 1 0 317.433 2.495 20 70 DEIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000160412699 402344928 /nfs/dbraw/zinc/34/49/28/402344928.db2.gz FTGPSRFRDBKYOS-IVMMDQJWSA-N 1 0 313.401 2.431 20 70 DEIDRO Cc1cccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1 ZINC000160440769 402345686 /nfs/dbraw/zinc/34/56/86/402345686.db2.gz DEIZDKMERXQSJR-HNNXBMFYSA-N 1 0 303.450 2.198 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(C(C)C)no1 ZINC000160480353 402347804 /nfs/dbraw/zinc/34/78/04/402347804.db2.gz WJDJUUABONKSFJ-CQSZACIVSA-N 1 0 322.453 2.362 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000160552667 402350517 /nfs/dbraw/zinc/35/05/17/402350517.db2.gz DKDQIKGFWASOIQ-RYUDHWBXSA-N 1 0 318.446 2.177 20 70 DEIDRO O=C(C[NH2+][C@H]1CCCOc2ccccc21)NCC(F)(F)F ZINC000160588766 402352417 /nfs/dbraw/zinc/35/24/17/402352417.db2.gz ZFOAUPMJHYJYCA-NSHDSACASA-N 1 0 302.296 2.168 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000160633596 402354768 /nfs/dbraw/zinc/35/47/68/402354768.db2.gz MWXABVQZPTZKHK-CYBMUJFWSA-N 1 0 318.808 2.268 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000160669269 402356068 /nfs/dbraw/zinc/35/60/68/402356068.db2.gz MSZZLURFJCUCCP-LSDHHAIUSA-N 1 0 302.418 2.326 20 70 DEIDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000160697264 402357217 /nfs/dbraw/zinc/35/72/17/402357217.db2.gz GFBJJVKMFMDPNC-QGZVFWFLSA-N 1 0 302.418 2.336 20 70 DEIDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000160697209 402357418 /nfs/dbraw/zinc/35/74/18/402357418.db2.gz GFBJJVKMFMDPNC-KRWDZBQOSA-N 1 0 302.418 2.336 20 70 DEIDRO COC[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793455 402360769 /nfs/dbraw/zinc/36/07/69/402360769.db2.gz XDWLHGHVBRQKKK-SJORKVTESA-N 1 0 302.418 2.365 20 70 DEIDRO CCOC(=O)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000160844165 402362469 /nfs/dbraw/zinc/36/24/69/402362469.db2.gz QQPKSBADNYCUKE-AWEZNQCLSA-N 1 0 318.417 2.354 20 70 DEIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161032460 402369903 /nfs/dbraw/zinc/36/99/03/402369903.db2.gz RLJLYXNMQIXFHF-HOTGVXAUSA-N 1 0 310.482 2.364 20 70 DEIDRO CCC[N@H+](CCO)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000161212617 402378013 /nfs/dbraw/zinc/37/80/13/402378013.db2.gz QOCJBBQJWBMJMQ-UHFFFAOYSA-N 1 0 307.390 2.215 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000161233574 402378202 /nfs/dbraw/zinc/37/82/02/402378202.db2.gz PXEZLVQOMFLHRS-CYBMUJFWSA-N 1 0 322.409 2.339 20 70 DEIDRO CCc1nccn1[C@@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161290668 402380697 /nfs/dbraw/zinc/38/06/97/402380697.db2.gz PQKXTIZPVAITPX-CQSZACIVSA-N 1 0 306.454 2.374 20 70 DEIDRO C[C@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@@H]1CCC[NH2+]C1 ZINC000161331533 402383404 /nfs/dbraw/zinc/38/34/04/402383404.db2.gz VUNTXZNRMULNQZ-TZMCWYRMSA-N 1 0 320.437 2.268 20 70 DEIDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cn1 ZINC000159653025 402327441 /nfs/dbraw/zinc/32/74/41/402327441.db2.gz QQHGOFSCCGAJIJ-UHFFFAOYSA-N 1 0 320.437 2.106 20 70 DEIDRO CC(C)([NH3+])CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000160045072 402335777 /nfs/dbraw/zinc/33/57/77/402335777.db2.gz HOXJGZUYPXORPN-UHFFFAOYSA-N 1 0 320.368 2.052 20 70 DEIDRO COC(=O)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160154127 402336521 /nfs/dbraw/zinc/33/65/21/402336521.db2.gz HTKBQGQKBQHLOA-GFCCVEGCSA-N 1 0 319.336 2.228 20 70 DEIDRO COc1ccc(C2(C(=O)N3CC[C@@H]([NH3+])C3)CCCCC2)cc1 ZINC000160226342 402338701 /nfs/dbraw/zinc/33/87/01/402338701.db2.gz VWEVSWUYAYDITR-OAHLLOKOSA-N 1 0 302.418 2.457 20 70 DEIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COC2CCOCC2)n1 ZINC000160251215 402339556 /nfs/dbraw/zinc/33/95/56/402339556.db2.gz OOHZNHQATAORTL-MAUKXSAKSA-N 1 0 320.433 2.083 20 70 DEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCC2 ZINC000160714481 286236545 /nfs/dbraw/zinc/23/65/45/286236545.db2.gz GHLTUMDJLGWORJ-HUUCEWRRSA-N 1 0 309.454 2.070 20 70 DEIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000161320667 277024635 /nfs/dbraw/zinc/02/46/35/277024635.db2.gz BXCKWAJNFJLAQR-DAWZGUTISA-N 1 0 321.440 2.465 20 70 DEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000161320540 278088499 /nfs/dbraw/zinc/08/84/99/278088499.db2.gz BXCKWAJNFJLAQR-ABHNRTSZSA-N 1 0 321.440 2.465 20 70 DEIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160866421 278341196 /nfs/dbraw/zinc/34/11/96/278341196.db2.gz LGDWGDOVYFWILR-WMLDXEAASA-N 1 0 311.470 2.053 20 70 DEIDRO NC(=O)c1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)c(Cl)c1 ZINC000160462479 295192761 /nfs/dbraw/zinc/19/27/61/295192761.db2.gz NLJDQVNECDXRDV-ZDUSSCGKSA-N 1 0 322.840 2.289 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(C)nc3onc(C)c32)CC1 ZINC000160356214 519850704 /nfs/dbraw/zinc/85/07/04/519850704.db2.gz PFFFDDZWRQDJCQ-UHFFFAOYSA-N 1 0 316.405 2.398 20 70 DEIDRO CC[NH+](CC)CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160351658 520678954 /nfs/dbraw/zinc/67/89/54/520678954.db2.gz MJUYRTJOYPKVCD-MRXNPFEDSA-N 1 0 321.421 2.318 20 70 DEIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)c2cccs2)CC1 ZINC000160118208 521686130 /nfs/dbraw/zinc/68/61/30/521686130.db2.gz JQOJHJIMJQQRFK-CABCVRRESA-N 1 0 323.506 2.241 20 70 DEIDRO CC[C@@H](C)OCC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000161039630 522251321 /nfs/dbraw/zinc/25/13/21/522251321.db2.gz GOHUHAYDPVDLJN-OAHLLOKOSA-N 1 0 319.449 2.188 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000160485583 522391084 /nfs/dbraw/zinc/39/10/84/522391084.db2.gz SZUUWHJESSJGRK-OAHLLOKOSA-N 1 0 313.401 2.485 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000160520250 522501144 /nfs/dbraw/zinc/50/11/44/522501144.db2.gz QGWXTNMLYUWGCP-NSHDSACASA-N 1 0 319.792 2.087 20 70 DEIDRO CCc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)o1 ZINC000159412347 523925309 /nfs/dbraw/zinc/92/53/09/523925309.db2.gz NLHNZIPGGFHIMN-ZDUSSCGKSA-N 1 0 314.451 2.136 20 70 DEIDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cnn(C)c2)cc1OC ZINC000159747833 524136415 /nfs/dbraw/zinc/13/64/15/524136415.db2.gz ARWHIAFLAKPGJP-CYBMUJFWSA-N 1 0 303.406 2.201 20 70 DEIDRO Cc1cc(C[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)[nH]n1 ZINC000161153448 524824446 /nfs/dbraw/zinc/82/44/46/524824446.db2.gz GMSYGBSZDKIMPZ-GFCCVEGCSA-N 1 0 300.406 2.141 20 70 DEIDRO Cc1cc(C[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)[nH]n1 ZINC000161153577 524836803 /nfs/dbraw/zinc/83/68/03/524836803.db2.gz GMSYGBSZDKIMPZ-LBPRGKRZSA-N 1 0 300.406 2.141 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160973138 525542760 /nfs/dbraw/zinc/54/27/60/525542760.db2.gz OGIIBEAWMQPSGI-HUUCEWRRSA-N 1 0 324.490 2.214 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971124 525582787 /nfs/dbraw/zinc/58/27/87/525582787.db2.gz OGIIBEAWMQPSGI-GJZGRUSLSA-N 1 0 324.490 2.214 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160575959 525584206 /nfs/dbraw/zinc/58/42/06/525584206.db2.gz IEPWNAHLRQHTNQ-DOMZBBRYSA-N 1 0 318.446 2.130 20 70 DEIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000160240353 526174614 /nfs/dbraw/zinc/17/46/14/526174614.db2.gz LRRWCVCDMHLVHB-CQSZACIVSA-N 1 0 310.825 2.225 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000160213778 526226525 /nfs/dbraw/zinc/22/65/25/526226525.db2.gz BYGAEBOSSJADIT-INIZCTEOSA-N 1 0 318.465 2.352 20 70 DEIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161128893 526237724 /nfs/dbraw/zinc/23/77/24/526237724.db2.gz FNHIKNSWEMWILR-IHRRRGAJSA-N 1 0 306.406 2.096 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000161080741 539588999 /nfs/dbraw/zinc/58/89/99/539588999.db2.gz LGMSLMDCAGHBEC-STQMWFEESA-N 1 0 302.353 2.011 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000161310902 539591355 /nfs/dbraw/zinc/59/13/55/539591355.db2.gz WUMSBWMRYZXMMZ-KGLIPLIRSA-N 1 0 311.385 2.042 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCOCCc2ccccc2)C1 ZINC000161505756 539591883 /nfs/dbraw/zinc/59/18/83/539591883.db2.gz DBNYOEAIYQXAKB-IAGOWNOFSA-N 1 0 304.434 2.412 20 70 DEIDRO CNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159662116 186133480 /nfs/dbraw/zinc/13/34/80/186133480.db2.gz DLJOEEGKXSLZBA-OAGGEKHMSA-N 1 0 300.402 2.093 20 70 DEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000159755137 186139824 /nfs/dbraw/zinc/13/98/24/186139824.db2.gz BIOMUWMOVVVCFJ-CYBMUJFWSA-N 1 0 321.421 2.022 20 70 DEIDRO CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccsc1)[NH+]1CCN(C)CC1 ZINC000160055874 355962890 /nfs/dbraw/zinc/96/28/90/355962890.db2.gz PZQZATFZBUQPHW-GOEBONIOSA-N 1 0 323.506 2.240 20 70 DEIDRO CCCn1nc(C)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1C ZINC000160145116 197389264 /nfs/dbraw/zinc/38/92/64/197389264.db2.gz PWBIYOKGANDONH-OAHLLOKOSA-N 1 0 323.404 2.356 20 70 DEIDRO CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CCO1 ZINC000160094166 197384968 /nfs/dbraw/zinc/38/49/68/197384968.db2.gz SXQJLHKLRDJZLF-MRXNPFEDSA-N 1 0 311.470 2.317 20 70 DEIDRO CCOc1cc(C(=O)NCC(C)(C)[NH3+])cc(OCC)c1OCC ZINC000159978030 197378281 /nfs/dbraw/zinc/37/82/81/197378281.db2.gz COWFGFFIKKTBKB-UHFFFAOYSA-N 1 0 324.421 2.350 20 70 DEIDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000159793684 197364700 /nfs/dbraw/zinc/36/47/00/197364700.db2.gz WTORTJBYAQAYKS-UONOGXRCSA-N 1 0 300.406 2.399 20 70 DEIDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160383550 402343622 /nfs/dbraw/zinc/34/36/22/402343622.db2.gz WHGMJVGMJVZNTQ-MRXNPFEDSA-N 1 0 304.434 2.474 20 70 DEIDRO Cc1ccccc1[C@H]1CN(C(=O)C[NH2+]CC2CC2)[C@H](C)CO1 ZINC000160410952 402344008 /nfs/dbraw/zinc/34/40/08/402344008.db2.gz RNVHMGOWSRKENT-RHSMWYFYSA-N 1 0 302.418 2.283 20 70 DEIDRO Cc1cc(C)cc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160498176 402347972 /nfs/dbraw/zinc/34/79/72/402347972.db2.gz IEXMGKFAAQXWOD-GOSISDBHSA-N 1 0 318.461 2.199 20 70 DEIDRO C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000160510155 402349025 /nfs/dbraw/zinc/34/90/25/402349025.db2.gz VCEVQHHKAHFECY-TUKIKUTGSA-N 1 0 308.397 2.488 20 70 DEIDRO CC[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1nc(C)cs1 ZINC000161440959 402387459 /nfs/dbraw/zinc/38/74/59/402387459.db2.gz DFGOZKNQLIPKTR-NWDGAFQWSA-N 1 0 304.419 2.478 20 70 DEIDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000160633617 402354778 /nfs/dbraw/zinc/35/47/78/402354778.db2.gz ZESMYXMZMMRQFY-SNVBAGLBSA-N 1 0 314.813 2.426 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)oc1C ZINC000160745827 402358941 /nfs/dbraw/zinc/35/89/41/402358941.db2.gz XZOKPMKXZZOUDX-CVEARBPZSA-N 1 0 320.433 2.394 20 70 DEIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1([NH3+])CC1 ZINC000160739530 402359159 /nfs/dbraw/zinc/35/91/59/402359159.db2.gz FUMNPNBGLHOLCP-UHFFFAOYSA-N 1 0 323.234 2.430 20 70 DEIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000160841590 402362671 /nfs/dbraw/zinc/36/26/71/402362671.db2.gz RKZBSAKTPFADSP-RBUKOAKNSA-N 1 0 324.424 2.465 20 70 DEIDRO COC(C)(C)C[C@H](C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160967547 402367844 /nfs/dbraw/zinc/36/78/44/402367844.db2.gz AZLGSNKXYXBQRH-ZDUSSCGKSA-N 1 0 307.438 2.346 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000160992350 402368324 /nfs/dbraw/zinc/36/83/24/402368324.db2.gz UFWWWZJOEQVMBR-UHFFFAOYSA-N 1 0 304.369 2.164 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000161040240 402370244 /nfs/dbraw/zinc/37/02/44/402370244.db2.gz HSMWSTFUCIWIHP-AAEUAGOBSA-N 1 0 304.390 2.203 20 70 DEIDRO O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@H]1CCC[NH2+]1 ZINC000161038660 402370509 /nfs/dbraw/zinc/37/05/09/402370509.db2.gz KULVMFHWICRISP-OWCLPIDISA-N 1 0 304.390 2.059 20 70 DEIDRO Cc1ccccc1O[C@@H](C)CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000161170446 402376001 /nfs/dbraw/zinc/37/60/01/402376001.db2.gz TZQSAOCRJLVNMT-HNNXBMFYSA-N 1 0 324.424 2.375 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000161179731 402376548 /nfs/dbraw/zinc/37/65/48/402376548.db2.gz MDOMHOUCJMOEIU-OAHLLOKOSA-N 1 0 311.389 2.044 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000161178869 402376740 /nfs/dbraw/zinc/37/67/40/402376740.db2.gz MLXVZQRAVRIYEW-JHJVBQTASA-N 1 0 302.484 2.024 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000161259723 402379455 /nfs/dbraw/zinc/37/94/55/402379455.db2.gz QRYJXPNEIIMONM-GDBMZVCRSA-N 1 0 306.450 2.422 20 70 DEIDRO CCc1ccc([C@H](CNC(=O)c2cc(C)ncn2)[NH+](C)C)cc1 ZINC000161301852 402381476 /nfs/dbraw/zinc/38/14/76/402381476.db2.gz YMGXMEOLURIVBB-KRWDZBQOSA-N 1 0 312.417 2.380 20 70 DEIDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159722622 402328991 /nfs/dbraw/zinc/32/89/91/402328991.db2.gz NFHVNTFRNAQZRW-SDDRHHMPSA-N 1 0 310.344 2.085 20 70 DEIDRO C[C@@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159883968 402333099 /nfs/dbraw/zinc/33/30/99/402333099.db2.gz QTSFKULCQGABEZ-HLLBOEOZSA-N 1 0 317.433 2.080 20 70 DEIDRO C[C@]1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000159496267 300745419 /nfs/dbraw/zinc/74/54/19/300745419.db2.gz AWGIIDYTGIGTNE-VIFPVBQESA-N 1 0 318.261 2.329 20 70 DEIDRO c1ccc2c(c1)CCN(CC[NH2+]C1CCC3(CC1)OCCO3)C2 ZINC000161252530 304857145 /nfs/dbraw/zinc/85/71/45/304857145.db2.gz GECOIVNVLUNJQH-UHFFFAOYSA-N 1 0 316.445 2.320 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000160463888 522390011 /nfs/dbraw/zinc/39/00/11/522390011.db2.gz KEMOTMFWCIQIGE-OAHLLOKOSA-N 1 0 313.401 2.403 20 70 DEIDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@@H]1CCOC1 ZINC000160486824 522655419 /nfs/dbraw/zinc/65/54/19/522655419.db2.gz OXUJYXDAYRIJPW-MOPGFXCFSA-N 1 0 318.461 2.424 20 70 DEIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1cccn1C ZINC000160474420 523170565 /nfs/dbraw/zinc/17/05/65/523170565.db2.gz FNQZWMZQLLSGSZ-OAHLLOKOSA-N 1 0 306.454 2.431 20 70 DEIDRO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)ccc1OC(C)C ZINC000160903737 525147257 /nfs/dbraw/zinc/14/72/57/525147257.db2.gz ZGVPGCQRCUWHOH-OAHLLOKOSA-N 1 0 306.406 2.489 20 70 DEIDRO [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000161323562 527415033 /nfs/dbraw/zinc/41/50/33/527415033.db2.gz JOYIZHUQZNVUOT-IKGGRYGDSA-N 1 0 302.418 2.179 20 70 DEIDRO Cc1nn(C)cc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000159659955 527692912 /nfs/dbraw/zinc/69/29/12/527692912.db2.gz XKNDRLJOVCCVCS-UHFFFAOYSA-N 1 0 321.808 2.485 20 70 DEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000161158618 539589370 /nfs/dbraw/zinc/58/93/70/539589370.db2.gz NBOHEUKOFHEVPZ-YOEHRIQHSA-N 1 0 314.437 2.187 20 70 DEIDRO CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161001127 282571929 /nfs/dbraw/zinc/57/19/29/282571929.db2.gz AORCBICGCJLIBY-INIZCTEOSA-N 1 0 323.481 2.016 20 70 DEIDRO COc1cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)ccc1F ZINC000160343621 539586436 /nfs/dbraw/zinc/58/64/36/539586436.db2.gz HUTAUHOVKDQFLC-GFCCVEGCSA-N 1 0 306.259 2.315 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000161483122 539591749 /nfs/dbraw/zinc/59/17/49/539591749.db2.gz GYPCGEXUBBHPGK-OLZOCXBDSA-N 1 0 302.353 2.011 20 70 DEIDRO O=C(Cc1ccccc1Br)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217917801 539726862 /nfs/dbraw/zinc/72/68/62/539726862.db2.gz JTPRTRRMYQCMDR-FUNVUKJBSA-N 1 0 323.234 2.391 20 70 DEIDRO C[C@@H](CNC(=O)C[NH3+])Sc1ccc(Br)cc1 ZINC000159653375 186133076 /nfs/dbraw/zinc/13/30/76/186133076.db2.gz IJRJPHWPNUFAKL-QMMMGPOBSA-N 1 0 303.225 2.005 20 70 DEIDRO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159752692 186139557 /nfs/dbraw/zinc/13/95/57/186139557.db2.gz GXQONIJGGLWQTQ-KMFMINBZSA-N 1 0 302.418 2.057 20 70 DEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000159755289 186139575 /nfs/dbraw/zinc/13/95/75/186139575.db2.gz BIOMUWMOVVVCFJ-ZDUSSCGKSA-N 1 0 321.421 2.022 20 70 DEIDRO Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)oc1C ZINC000161426743 291674987 /nfs/dbraw/zinc/67/49/87/291674987.db2.gz WVZBULUAXOTLKY-UHFFFAOYSA-N 1 0 315.373 2.309 20 70 DEIDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161001652 197456136 /nfs/dbraw/zinc/45/61/36/197456136.db2.gz YZJODEWTJZBZJU-BBRMVZONSA-N 1 0 319.449 2.206 20 70 DEIDRO CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])cc1OCC ZINC000160247852 197395722 /nfs/dbraw/zinc/39/57/22/197395722.db2.gz CPTRHPKPMUCFRG-TUPIDYKKSA-N 1 0 318.417 2.447 20 70 DEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160265850 197397070 /nfs/dbraw/zinc/39/70/70/197397070.db2.gz FFYMIGWXNXPHEX-ZDUSSCGKSA-N 1 0 313.405 2.076 20 70 DEIDRO COc1cccc(/C=C/C(=O)NCC(C)(C)[NH3+])c1OC(F)F ZINC000159957489 197376003 /nfs/dbraw/zinc/37/60/03/197376003.db2.gz BLCSYAPFEYRXPF-BQYQJAHWSA-N 1 0 314.332 2.163 20 70 DEIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000159834844 197368437 /nfs/dbraw/zinc/36/84/37/197368437.db2.gz RSHVSGJCLSHCLY-ZDUSSCGKSA-N 1 0 312.435 2.076 20 70 DEIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000160383680 291666514 /nfs/dbraw/zinc/66/65/14/291666514.db2.gz XASJNZYDOOPKSK-HZPDHXFCSA-N 1 0 311.470 2.365 20 70 DEIDRO COC1(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC[NH2+]CC1 ZINC000160344417 284673071 /nfs/dbraw/zinc/67/30/71/284673071.db2.gz YBHNEGMRWQSYLX-CQSZACIVSA-N 1 0 318.417 2.174 20 70 DEIDRO CC(C)[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159705843 197361967 /nfs/dbraw/zinc/36/19/67/197361967.db2.gz FBDFNXAFXKSMMO-SJORKVTESA-N 1 0 304.434 2.032 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159612599 402326364 /nfs/dbraw/zinc/32/63/64/402326364.db2.gz SFVKWNBKQHUPJC-OAHLLOKOSA-N 1 0 311.470 2.367 20 70 DEIDRO Cc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ncn1 ZINC000161417114 402387165 /nfs/dbraw/zinc/38/71/65/402387165.db2.gz HOODGHRBEXECCF-UHFFFAOYSA-N 1 0 321.384 2.002 20 70 DEIDRO O=C(Cc1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160505365 402348815 /nfs/dbraw/zinc/34/88/15/402348815.db2.gz YGEDENRYMKERPK-JKSUJKDBSA-N 1 0 322.474 2.175 20 70 DEIDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cnn1CC(C)C ZINC000160524976 402349578 /nfs/dbraw/zinc/34/95/78/402349578.db2.gz CFAWTQPCUKAAFS-HNNXBMFYSA-N 1 0 304.438 2.158 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc21 ZINC000160544433 402350689 /nfs/dbraw/zinc/35/06/89/402350689.db2.gz ZKKBPLSHVNOFPU-ZBFHGGJFSA-N 1 0 302.418 2.399 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000160545945 402350866 /nfs/dbraw/zinc/35/08/66/402350866.db2.gz NIVYVSZJJSWJRJ-CQSZACIVSA-N 1 0 320.433 2.492 20 70 DEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc2ccccc21 ZINC000160561198 402351312 /nfs/dbraw/zinc/35/13/12/402351312.db2.gz YPUCHADMXLFNLV-UHFFFAOYSA-N 1 0 312.413 2.274 20 70 DEIDRO COC(=O)CC1([NH2+]CCC(=O)c2ccc(C)cc2)CCOCC1 ZINC000160702956 402357185 /nfs/dbraw/zinc/35/71/85/402357185.db2.gz YNYGQAZTXQJQDU-UHFFFAOYSA-N 1 0 319.401 2.270 20 70 DEIDRO COc1cc(CN(C)CCCS(=O)(=O)C(C)C)ccc1O ZINC000160726632 402358483 /nfs/dbraw/zinc/35/84/83/402358483.db2.gz KKLNXBZITWNDTK-UHFFFAOYSA-N 1 0 315.435 2.046 20 70 DEIDRO COCC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160761543 402359548 /nfs/dbraw/zinc/35/95/48/402359548.db2.gz UHNWAWRSMBFGFX-UHFFFAOYSA-N 1 0 314.788 2.206 20 70 DEIDRO O=C(NCC[NH+]1CCCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160780057 402360285 /nfs/dbraw/zinc/36/02/85/402360285.db2.gz GYIDEMCSPUPZHK-UHFFFAOYSA-N 1 0 319.331 2.053 20 70 DEIDRO COCCOC[C@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160849578 402363108 /nfs/dbraw/zinc/36/31/08/402363108.db2.gz JGZOSHYWFXZCEW-HNNXBMFYSA-N 1 0 303.406 2.128 20 70 DEIDRO Cc1[nH]c(=O)ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000160886504 402363935 /nfs/dbraw/zinc/36/39/35/402363935.db2.gz XSNQTKDCXCHJKK-UHFFFAOYSA-N 1 0 317.433 2.480 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000160907310 402365170 /nfs/dbraw/zinc/36/51/70/402365170.db2.gz BZPXMEMZXYFEHF-GJZGRUSLSA-N 1 0 311.470 2.365 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000161040375 402370446 /nfs/dbraw/zinc/37/04/46/402370446.db2.gz HSMWSTFUCIWIHP-DGCLKSJQSA-N 1 0 304.390 2.203 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161074797 402371909 /nfs/dbraw/zinc/37/19/09/402371909.db2.gz OZGMRJWPHPLSEY-LBPRGKRZSA-N 1 0 308.382 2.030 20 70 DEIDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000161471504 402388774 /nfs/dbraw/zinc/38/87/74/402388774.db2.gz DXJYKAWZTSLSLK-IRXDYDNUSA-N 1 0 302.418 2.336 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000161246570 402378891 /nfs/dbraw/zinc/37/88/91/402378891.db2.gz GOXCMJWDYHNADG-HIFRSBDPSA-N 1 0 317.433 2.062 20 70 DEIDRO CCN(CC)c1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cn1 ZINC000161286401 402380632 /nfs/dbraw/zinc/38/06/32/402380632.db2.gz RKBCWTPHQQFVTR-UHFFFAOYSA-N 1 0 318.465 2.465 20 70 DEIDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@](C)(O)C2)c1 ZINC000161310875 402382205 /nfs/dbraw/zinc/38/22/05/402382205.db2.gz YCLGFAHBVDGBHE-SFHVURJKSA-N 1 0 319.449 2.195 20 70 DEIDRO CN(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000161497139 402389146 /nfs/dbraw/zinc/38/91/46/402389146.db2.gz MXUYRRGNXNNAQW-QWHCGFSZSA-N 1 0 307.413 2.494 20 70 DEIDRO O=C(c1ccccc1-n1cccn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159739740 402329626 /nfs/dbraw/zinc/32/96/26/402329626.db2.gz ZULXBOSOZPSZBW-UHFFFAOYSA-N 1 0 324.428 2.477 20 70 DEIDRO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]c1=O ZINC000159771029 402330283 /nfs/dbraw/zinc/33/02/83/402330283.db2.gz VWRHWKCWYLMOEW-MRXNPFEDSA-N 1 0 311.385 2.286 20 70 DEIDRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000159808508 402330806 /nfs/dbraw/zinc/33/08/06/402330806.db2.gz ISTRAKACSDOADQ-KRWDZBQOSA-N 1 0 317.477 2.242 20 70 DEIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1c(C)nn(C)c1C ZINC000159925412 402333598 /nfs/dbraw/zinc/33/35/98/402333598.db2.gz SQHPUXOHVGROBW-HNNXBMFYSA-N 1 0 321.469 2.225 20 70 DEIDRO Cc1cnccc1CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000159920030 402333770 /nfs/dbraw/zinc/33/37/70/402333770.db2.gz LTGNRZYKVJVRFV-HOCLYGCPSA-N 1 0 318.465 2.352 20 70 DEIDRO Cc1ccc(CNC(=O)[C@@H](C)SCCN2CCOCC2)cc1 ZINC000159963377 402334302 /nfs/dbraw/zinc/33/43/02/402334302.db2.gz DAWWEAYFIBWDNY-OAHLLOKOSA-N 1 0 322.474 2.065 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000159998629 402335241 /nfs/dbraw/zinc/33/52/41/402335241.db2.gz PZFPFOUZSMZDRP-ZIAGYGMSSA-N 1 0 309.454 2.118 20 70 DEIDRO O=C(Cc1cccc(OC(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160034580 402335764 /nfs/dbraw/zinc/33/57/64/402335764.db2.gz MJIGZSMVGHBIRX-BETUJISGSA-N 1 0 310.344 2.183 20 70 DEIDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCOC1 ZINC000160676716 287054052 /nfs/dbraw/zinc/05/40/52/287054052.db2.gz KKILRAPHCLLTBR-OIISXLGYSA-N 1 0 302.418 2.365 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000161357323 277025201 /nfs/dbraw/zinc/02/52/01/277025201.db2.gz QAJAUBVKNMDGJE-MASVMSMMSA-N 1 0 309.498 2.390 20 70 DEIDRO COC1(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000161350465 277462357 /nfs/dbraw/zinc/46/23/57/277462357.db2.gz GUIGNIGWYUADCF-HNNXBMFYSA-N 1 0 304.434 2.119 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000161504528 278089063 /nfs/dbraw/zinc/08/90/63/278089063.db2.gz OUFREYGDJBFMDI-RDHHWEPZSA-N 1 0 323.481 2.107 20 70 DEIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)c2cccs2)CC1 ZINC000160118486 521685961 /nfs/dbraw/zinc/68/59/61/521685961.db2.gz JQOJHJIMJQQRFK-HUUCEWRRSA-N 1 0 323.506 2.241 20 70 DEIDRO COC(=O)c1oc([C@H](C)[NH+]2CCC(CC(N)=O)CC2)cc1C ZINC000159753472 522405728 /nfs/dbraw/zinc/40/57/28/522405728.db2.gz OQQBETYEDVFBNG-NSHDSACASA-N 1 0 308.378 2.023 20 70 DEIDRO COC1(C(=O)NC[C@@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000161119511 522550331 /nfs/dbraw/zinc/55/03/31/522550331.db2.gz GQFIOSGAXKNNAG-CYBMUJFWSA-N 1 0 308.447 2.052 20 70 DEIDRO COc1ccc(OCCCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000159387548 524942430 /nfs/dbraw/zinc/94/24/30/524942430.db2.gz QLUXWLVCRSYZIL-SFHVURJKSA-N 1 0 318.417 2.066 20 70 DEIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000159815889 526046016 /nfs/dbraw/zinc/04/60/16/526046016.db2.gz XDUFAHMGTOMGDN-QGZVFWFLSA-N 1 0 316.445 2.222 20 70 DEIDRO [NH3+]C1(CNC(=O)CSCC(=O)c2ccccc2)CCCCC1 ZINC000159497900 527131512 /nfs/dbraw/zinc/13/15/12/527131512.db2.gz VSVVSNNGLSAJRJ-UHFFFAOYSA-N 1 0 320.458 2.380 20 70 DEIDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190642 527310325 /nfs/dbraw/zinc/31/03/25/527310325.db2.gz STCDLFNHRWUVJJ-JSGCOSHPSA-N 1 0 312.417 2.449 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000160245459 527363175 /nfs/dbraw/zinc/36/31/75/527363175.db2.gz KTNNOEKGBWHGND-LLVKDONJSA-N 1 0 321.327 2.112 20 70 DEIDRO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161114793 539589417 /nfs/dbraw/zinc/58/94/17/539589417.db2.gz QYYZYUVKEOKCMV-HIFRSBDPSA-N 1 0 303.406 2.281 20 70 DEIDRO CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161174203 539589566 /nfs/dbraw/zinc/58/95/66/539589566.db2.gz RGUFFCYMIWZSBJ-HUUCEWRRSA-N 1 0 318.417 2.434 20 70 DEIDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(C)nc2)CC1 ZINC000161354778 539590941 /nfs/dbraw/zinc/59/09/41/539590941.db2.gz QBUSBZMZLUWUMU-UHFFFAOYSA-N 1 0 306.410 2.012 20 70 DEIDRO [NH3+]C1(CNC(=O)c2cc(F)cc3nccnc32)CCCCC1 ZINC000159550165 186126239 /nfs/dbraw/zinc/12/62/39/186126239.db2.gz ZMSMRJJYHBKIOZ-UHFFFAOYSA-N 1 0 302.353 2.160 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159590239 186129730 /nfs/dbraw/zinc/12/97/30/186129730.db2.gz XHMMIPSDVIABRM-OCCSQVGLSA-N 1 0 318.446 2.130 20 70 DEIDRO [NH3+]C1(CNC(=O)/C=C/c2ccc3c(c2)OCO3)CCCCC1 ZINC000159653062 186133129 /nfs/dbraw/zinc/13/31/29/186133129.db2.gz LXMWXXVAWHYITF-FNORWQNLSA-N 1 0 302.374 2.206 20 70 DEIDRO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159650156 186133221 /nfs/dbraw/zinc/13/32/21/186133221.db2.gz KTFYQKYUAGXVQD-ZFWWWQNUSA-N 1 0 310.825 2.049 20 70 DEIDRO CC(C)[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159706124 186136917 /nfs/dbraw/zinc/13/69/17/186136917.db2.gz FBDFNXAFXKSMMO-IRXDYDNUSA-N 1 0 304.434 2.032 20 70 DEIDRO CC[C@@H](NC(=O)C1(OC)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000159730820 186138205 /nfs/dbraw/zinc/13/82/05/186138205.db2.gz RGSCNVRCVCINAD-CQSZACIVSA-N 1 0 312.360 2.301 20 70 DEIDRO COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000161238185 197477115 /nfs/dbraw/zinc/47/71/15/197477115.db2.gz UDTFHQIPZURXBE-NVXWUHKLSA-N 1 0 316.445 2.407 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cnc3onc(CC)c3c2)CC1 ZINC000161001778 197456807 /nfs/dbraw/zinc/45/68/07/197456807.db2.gz IKFKOIPLEJTYJD-UHFFFAOYSA-N 1 0 316.405 2.247 20 70 DEIDRO Cc1c(/C=C/C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1C ZINC000160507922 197416614 /nfs/dbraw/zinc/41/66/14/197416614.db2.gz GLWHGMUBVIOGMN-VOTSOKGWSA-N 1 0 304.438 2.121 20 70 DEIDRO CN(C)C(=O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160310195 197399193 /nfs/dbraw/zinc/39/91/93/197399193.db2.gz LZMDKOZOPFECKJ-UHFFFAOYSA-N 1 0 322.206 2.175 20 70 DEIDRO CC(C)[NH+]1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000159890828 197371973 /nfs/dbraw/zinc/37/19/73/197371973.db2.gz BHGYXUDBUUUYPG-UHFFFAOYSA-N 1 0 303.381 2.402 20 70 DEIDRO CCC(CC)(C[NH2+]CC[S@@](=O)c1ccccc1)C(=O)OC ZINC000159653812 291656943 /nfs/dbraw/zinc/65/69/43/291656943.db2.gz LBPWMYWGUDVTMY-NRFANRHFSA-N 1 0 311.447 2.363 20 70 DEIDRO CN(CC1CC[NH+](CCn2ccnc2)CC1)C(=O)OC(C)(C)C ZINC000159810580 291659579 /nfs/dbraw/zinc/65/95/79/291659579.db2.gz RCDTVIODHAOBAU-UHFFFAOYSA-N 1 0 322.453 2.462 20 70 DEIDRO CC[C@H]([NH3+])C(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000160882779 291670666 /nfs/dbraw/zinc/67/06/66/291670666.db2.gz GHYXNRXPFFUQIL-HNNXBMFYSA-N 1 0 322.449 2.468 20 70 DEIDRO COc1ccccc1SCC(=O)NCC(C)(C)C[NH+](C)C ZINC000161139778 291672607 /nfs/dbraw/zinc/67/26/07/291672607.db2.gz QGQAXKXNBUGPHP-UHFFFAOYSA-N 1 0 310.463 2.491 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000159775863 197363558 /nfs/dbraw/zinc/36/35/58/197363558.db2.gz HSAWEVGFRACYHO-HZPDHXFCSA-N 1 0 305.397 2.419 20 70 DEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000159398469 197350688 /nfs/dbraw/zinc/35/06/88/197350688.db2.gz WSJYNFKMDVAZJT-LBPRGKRZSA-N 1 0 301.814 2.484 20 70 DEIDRO CCCN(CC[NH+](C)C)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000159393337 402322687 /nfs/dbraw/zinc/32/26/87/402322687.db2.gz ZFKPFNGGCOEFIB-UHFFFAOYSA-N 1 0 321.396 2.124 20 70 DEIDRO COc1cccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160394903 402344317 /nfs/dbraw/zinc/34/43/17/402344317.db2.gz MPNLCTIUSISJSU-MRXNPFEDSA-N 1 0 304.434 2.474 20 70 DEIDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1csc(C2CC2)n1 ZINC000161429983 402387136 /nfs/dbraw/zinc/38/71/36/402387136.db2.gz ALZXPTSVVZYQBB-GFCCVEGCSA-N 1 0 314.414 2.424 20 70 DEIDRO CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000161441904 402387511 /nfs/dbraw/zinc/38/75/11/402387511.db2.gz KLXCGMYKFDZILA-OAHLLOKOSA-N 1 0 310.401 2.156 20 70 DEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1 ZINC000160631834 402354597 /nfs/dbraw/zinc/35/45/97/402354597.db2.gz JPEKIZVICVKUTI-DLBZAZTESA-N 1 0 320.408 2.323 20 70 DEIDRO CC(C)(O)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160637841 402355094 /nfs/dbraw/zinc/35/50/94/402355094.db2.gz SYVBIPJZPDGTQZ-UHFFFAOYSA-N 1 0 310.825 2.305 20 70 DEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)NCC[NH+](CC)CC)C12CCC2 ZINC000160636837 402355139 /nfs/dbraw/zinc/35/51/39/402355139.db2.gz SZZCGOCEKNZIGS-LSDHHAIUSA-N 1 0 311.470 2.317 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000160659554 402356048 /nfs/dbraw/zinc/35/60/48/402356048.db2.gz WXZIPCXLFSCESD-NSHDSACASA-N 1 0 300.761 2.068 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000160669623 402356263 /nfs/dbraw/zinc/35/62/63/402356263.db2.gz MSZZLURFJCUCCP-CABCVRRESA-N 1 0 302.418 2.326 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000160696794 402357196 /nfs/dbraw/zinc/35/71/96/402357196.db2.gz AWFAGFSYYRZFGS-GFCCVEGCSA-N 1 0 305.765 2.429 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)C1 ZINC000160785853 402360593 /nfs/dbraw/zinc/36/05/93/402360593.db2.gz ICIWSXOVGQNAMD-CQSZACIVSA-N 1 0 315.442 2.481 20 70 DEIDRO COC[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793575 402360847 /nfs/dbraw/zinc/36/08/47/402360847.db2.gz XDWLHGHVBRQKKK-IAGOWNOFSA-N 1 0 302.418 2.365 20 70 DEIDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@](C)(O)C2)([NH+](C)C)C1 ZINC000160785295 402360893 /nfs/dbraw/zinc/36/08/93/402360893.db2.gz QIPDMBMPBRLBAZ-DJIMGWMZSA-N 1 0 311.470 2.053 20 70 DEIDRO CN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160817069 402361299 /nfs/dbraw/zinc/36/12/99/402361299.db2.gz NXZLHEGQQYGQEU-OAHLLOKOSA-N 1 0 302.422 2.240 20 70 DEIDRO COc1cc(N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000160854767 402363033 /nfs/dbraw/zinc/36/30/33/402363033.db2.gz FURXQVYXBSRUIG-NWDGAFQWSA-N 1 0 322.405 2.193 20 70 DEIDRO Cn1cnnc1CN1CCC(OCCc2ccccc2)CC1 ZINC000160860682 402363149 /nfs/dbraw/zinc/36/31/49/402363149.db2.gz GNRQAGYAFZBIMM-UHFFFAOYSA-N 1 0 300.406 2.039 20 70 DEIDRO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1OC1CCOCC1 ZINC000160940180 402366692 /nfs/dbraw/zinc/36/66/92/402366692.db2.gz QKOMCRJEISKPGS-AWEZNQCLSA-N 1 0 318.417 2.491 20 70 DEIDRO CC[C@H](C)[C@H](O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160953074 402367258 /nfs/dbraw/zinc/36/72/58/402367258.db2.gz YZRFUSVLYSUDPJ-HRCADAONSA-N 1 0 313.486 2.203 20 70 DEIDRO CC[C@H](Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(N)=O ZINC000161188675 402376710 /nfs/dbraw/zinc/37/67/10/402376710.db2.gz WXYKGBKBMGMWCX-KRWDZBQOSA-N 1 0 318.465 2.140 20 70 DEIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161205983 402377955 /nfs/dbraw/zinc/37/79/55/402377955.db2.gz DYHJCVCXLDWQRN-GMSGAONNSA-N 1 0 309.357 2.194 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)N2CC[NH+](C(C)C)CC2)n1 ZINC000161227329 402378528 /nfs/dbraw/zinc/37/85/28/402378528.db2.gz PRPUPWOABYVGHD-UHFFFAOYSA-N 1 0 307.442 2.487 20 70 DEIDRO CC[N@H+](Cc1ccc(C(=O)NCC[C@H](O)COC)cc1)C(C)C ZINC000161236656 402379203 /nfs/dbraw/zinc/37/92/03/402379203.db2.gz LTFRDXANFLVDLO-KRWDZBQOSA-N 1 0 322.449 2.044 20 70 DEIDRO c1nnc(C[NH2+]C2CCC3(CC2)OCCO3)n1-c1ccccc1 ZINC000161278943 402380108 /nfs/dbraw/zinc/38/01/08/402380108.db2.gz NPBBOPNCHZLXOJ-UHFFFAOYSA-N 1 0 314.389 2.043 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)CC1 ZINC000161495809 402389002 /nfs/dbraw/zinc/38/90/02/402389002.db2.gz MYLNSHLOQIDWFU-YZWQVAQESA-N 1 0 308.397 2.285 20 70 DEIDRO CC[C@H](C(=O)NCCCc1nc2c(s1)CCCC2)[NH+](C)C ZINC000161359364 402384612 /nfs/dbraw/zinc/38/46/12/402384612.db2.gz UGZHKDIATULDNM-CYBMUJFWSA-N 1 0 309.479 2.411 20 70 DEIDRO Cc1nc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)sc1C ZINC000159677103 402328076 /nfs/dbraw/zinc/32/80/76/402328076.db2.gz WFUFBSZXMZHBIB-DRZSPHRISA-N 1 0 311.451 2.180 20 70 DEIDRO C[C@H](CNC(=O)N(C)CC1CCOCC1)C[NH+]1CCCCC1 ZINC000159756844 402330330 /nfs/dbraw/zinc/33/03/30/402330330.db2.gz FXFGRSNRNDMARS-OAHLLOKOSA-N 1 0 311.470 2.176 20 70 DEIDRO C[C@@H](CNC(=O)NCc1ncccc1F)[NH+]1CCC(C)CC1 ZINC000159785168 402331069 /nfs/dbraw/zinc/33/10/69/402331069.db2.gz NURQQZXPRLCJSC-ZDUSSCGKSA-N 1 0 308.401 2.140 20 70 DEIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161158494 277379796 /nfs/dbraw/zinc/37/97/96/277379796.db2.gz CXAVLHXFAMVUGF-XHSDSOJGSA-N 1 0 323.481 2.173 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)N(C)CC[NH+]2CCCC2)n1 ZINC000160473928 519703230 /nfs/dbraw/zinc/70/32/30/519703230.db2.gz KADKZQOMJDDFMS-UHFFFAOYSA-N 1 0 307.442 2.489 20 70 DEIDRO CCOc1cc(CNC(=O)C2([NH3+])CCCCC2)ccc1OC ZINC000159588644 520702752 /nfs/dbraw/zinc/70/27/52/520702752.db2.gz RFNAEEOAWGBBMA-UHFFFAOYSA-N 1 0 306.406 2.372 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CCOCC1 ZINC000160505639 525539131 /nfs/dbraw/zinc/53/91/31/525539131.db2.gz WCMMIJDUQQYCEX-MRXNPFEDSA-N 1 0 318.461 2.424 20 70 DEIDRO COc1cccc(CCC[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000160167920 525886557 /nfs/dbraw/zinc/88/65/57/525886557.db2.gz QWIMCXBUXUUZMX-UHFFFAOYSA-N 1 0 312.417 2.240 20 70 DEIDRO O=C(C[C@H]1C[NH2+]CCO1)NC(c1cccs1)c1cccs1 ZINC000159926777 527176550 /nfs/dbraw/zinc/17/65/50/527176550.db2.gz OCXLDWQXRMCZHD-NSHDSACASA-N 1 0 322.455 2.394 20 70 DEIDRO CC(C)Cn1ncc2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cnc21 ZINC000160764770 539587631 /nfs/dbraw/zinc/58/76/31/539587631.db2.gz JBFMCFYITGQMAW-CABCVRRESA-N 1 0 315.421 2.087 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000161121749 539588979 /nfs/dbraw/zinc/58/89/79/539588979.db2.gz QEBZKFXUPRUQFA-JKSUJKDBSA-N 1 0 312.417 2.191 20 70 DEIDRO CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161173957 539589520 /nfs/dbraw/zinc/58/95/20/539589520.db2.gz RGUFFCYMIWZSBJ-LSDHHAIUSA-N 1 0 318.417 2.434 20 70 DEIDRO CN(CCCCS(C)(=O)=O)Cc1cnn(-c2ccccc2)c1 ZINC000161295057 539590402 /nfs/dbraw/zinc/59/04/02/539590402.db2.gz WQJHOUYSMPWIIC-UHFFFAOYSA-N 1 0 321.446 2.129 20 70 DEIDRO CCc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000161502045 539591852 /nfs/dbraw/zinc/59/18/52/539591852.db2.gz BRBWSKUBFKGHMR-UONOGXRCSA-N 1 0 312.417 2.434 20 70 DEIDRO C[N@H+](CCSc1ccc(Cl)cc1)CC(C)(CO)CO ZINC000159587367 186128702 /nfs/dbraw/zinc/12/87/02/186128702.db2.gz ZMXSRJYEFZSOCA-UHFFFAOYSA-N 1 0 303.855 2.355 20 70 DEIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H](O)c2ccccc2)C1 ZINC000159667378 186134119 /nfs/dbraw/zinc/13/41/19/186134119.db2.gz GDNDWSDXFIWWLD-YQQAZPJKSA-N 1 0 304.434 2.204 20 70 DEIDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)CCCCC1 ZINC000159470927 283406392 /nfs/dbraw/zinc/40/63/92/283406392.db2.gz UPJALCNISFTPPV-UHFFFAOYSA-N 1 0 316.380 2.403 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000161242917 197477899 /nfs/dbraw/zinc/47/78/99/197477899.db2.gz ZVOSLGRSZJMRPP-UHFFFAOYSA-N 1 0 303.406 2.018 20 70 DEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000161059801 284403568 /nfs/dbraw/zinc/40/35/68/284403568.db2.gz CPMVQNFYXLOJCX-HNNXBMFYSA-N 1 0 317.433 2.233 20 70 DEIDRO C[N@H+](CCCNC(=O)N1CCC[C@@](C)(O)C1)C1CCCCC1 ZINC000160312347 197399809 /nfs/dbraw/zinc/39/98/09/197399809.db2.gz GPVCBFKIJNYXEP-QGZVFWFLSA-N 1 0 311.470 2.197 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC000160224162 197393954 /nfs/dbraw/zinc/39/39/54/197393954.db2.gz XGSWXCUIHPYVEN-LLVKDONJSA-N 1 0 314.788 2.056 20 70 DEIDRO Cc1ccc2oc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000160162744 197389765 /nfs/dbraw/zinc/38/97/65/197389765.db2.gz YVEQBDFYIBRZOH-OAHLLOKOSA-N 1 0 316.401 2.318 20 70 DEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160067658 197383883 /nfs/dbraw/zinc/38/38/83/197383883.db2.gz GGMHRJGQEDGBEF-ZDUSSCGKSA-N 1 0 319.449 2.104 20 70 DEIDRO Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC[NH3+])cc12 ZINC000160044095 197382292 /nfs/dbraw/zinc/38/22/92/197382292.db2.gz RLISUWSMQYMPLW-UHFFFAOYSA-N 1 0 314.414 2.474 20 70 DEIDRO CC(C)([NH3+])CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000160092910 197385123 /nfs/dbraw/zinc/38/51/23/197385123.db2.gz ZXTRBWOHUJEULM-UHFFFAOYSA-N 1 0 310.825 2.242 20 70 DEIDRO CCc1noc(CC)c1CNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159963901 197376809 /nfs/dbraw/zinc/37/68/09/197376809.db2.gz RZFBYFMDYFWHHX-UHFFFAOYSA-N 1 0 308.426 2.037 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000159944393 197375893 /nfs/dbraw/zinc/37/58/93/197375893.db2.gz GAEGKFSTCQWMCI-JTQLQIEISA-N 1 0 323.245 2.351 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000159837071 197367791 /nfs/dbraw/zinc/36/77/91/197367791.db2.gz UWGSPNGIXCEJBU-HNNXBMFYSA-N 1 0 317.433 2.290 20 70 DEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCc1cscn1 ZINC000159364391 291652864 /nfs/dbraw/zinc/65/28/64/291652864.db2.gz PTXIGWZEHMCWQC-UHFFFAOYSA-N 1 0 322.434 2.052 20 70 DEIDRO O=C(c1ccc2c(c1)CCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159735758 291657843 /nfs/dbraw/zinc/65/78/43/291657843.db2.gz VNYXWPHDKWMTJZ-UHFFFAOYSA-N 1 0 300.402 2.226 20 70 DEIDRO COc1ccc(OCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159486143 197358063 /nfs/dbraw/zinc/35/80/63/197358063.db2.gz HIBDAKPGOANZGL-UHFFFAOYSA-N 1 0 306.406 2.242 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560963 197361696 /nfs/dbraw/zinc/36/16/96/197361696.db2.gz SJAXTJMEPJRLMH-AWEZNQCLSA-N 1 0 305.447 2.215 20 70 DEIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000159537409 197360722 /nfs/dbraw/zinc/36/07/22/197360722.db2.gz WHAPQMRHUFQZLC-ZACQAIPSSA-N 1 0 302.418 2.188 20 70 DEIDRO CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[NH2+]CC2)n1 ZINC000159451161 197354196 /nfs/dbraw/zinc/35/41/96/197354196.db2.gz KRXDRXNMMNDZKD-UHFFFAOYSA-N 1 0 314.389 2.080 20 70 DEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000159398593 197350584 /nfs/dbraw/zinc/35/05/84/197350584.db2.gz WSJYNFKMDVAZJT-GFCCVEGCSA-N 1 0 301.814 2.484 20 70 DEIDRO O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1ccsc1 ZINC000159384744 197349518 /nfs/dbraw/zinc/34/95/18/197349518.db2.gz LCSBLHWZZVQQMY-UHFFFAOYSA-N 1 0 315.398 2.046 20 70 DEIDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccccc2Br)[C@H]1C ZINC000217268418 402291205 /nfs/dbraw/zinc/29/12/05/402291205.db2.gz VVJRVDBMKYFFQG-MNOVXSKESA-N 1 0 311.223 2.200 20 70 DEIDRO CN(CC[NH2+]Cc1cn2ccccc2n1)C(=O)OC(C)(C)C ZINC000218315525 402295350 /nfs/dbraw/zinc/29/53/50/402295350.db2.gz UVSBIBDUGPVOJT-UHFFFAOYSA-N 1 0 304.394 2.291 20 70 DEIDRO CN(C)C1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000218761972 402296494 /nfs/dbraw/zinc/29/64/94/402296494.db2.gz UJVBXJPZPAQMGZ-AWEZNQCLSA-N 1 0 311.470 2.460 20 70 DEIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)n1-c1nccs1 ZINC000160315765 402340581 /nfs/dbraw/zinc/34/05/81/402340581.db2.gz YHEYWKDJXWDSFQ-LBPRGKRZSA-N 1 0 304.419 2.114 20 70 DEIDRO COc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)nn1 ZINC000160324973 402340712 /nfs/dbraw/zinc/34/07/12/402340712.db2.gz HZZUIUITEZQHSM-UHFFFAOYSA-N 1 0 300.362 2.108 20 70 DEIDRO Cc1cccc2[nH]c(CNC(=O)C[NH+]3CCC(C)CC3)nc21 ZINC000160422111 402344605 /nfs/dbraw/zinc/34/46/05/402344605.db2.gz KJPQGLYAJDSTSI-UHFFFAOYSA-N 1 0 300.406 2.219 20 70 DEIDRO O=C(Cc1cccs1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160505105 402348467 /nfs/dbraw/zinc/34/84/67/402348467.db2.gz YGEDENRYMKERPK-HOTGVXAUSA-N 1 0 322.474 2.175 20 70 DEIDRO Cc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1C(=O)N(C)C ZINC000160517649 402349062 /nfs/dbraw/zinc/34/90/62/402349062.db2.gz PQMMGYISQVHITL-UHFFFAOYSA-N 1 0 303.406 2.025 20 70 DEIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(C(N)=O)c1 ZINC000160532824 402350137 /nfs/dbraw/zinc/35/01/37/402350137.db2.gz AEXFMQYPGQYKDR-UHFFFAOYSA-N 1 0 320.437 2.371 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC000160606947 402353772 /nfs/dbraw/zinc/35/37/72/402353772.db2.gz BOHYRDRMTJSHQC-CYBMUJFWSA-N 1 0 300.406 2.413 20 70 DEIDRO O=C(N[C@@H](CO)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160822137 402361956 /nfs/dbraw/zinc/36/19/56/402361956.db2.gz HTCGYCDDMYRAFH-RDJZCZTQSA-N 1 0 317.433 2.036 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161040458 402370297 /nfs/dbraw/zinc/37/02/97/402370297.db2.gz DJLJGTKIALVKSU-PMPSAXMXSA-N 1 0 306.406 2.435 20 70 DEIDRO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000161087785 402372168 /nfs/dbraw/zinc/37/21/68/402372168.db2.gz BAUDSCOZAFHVLD-PBHICJAKSA-N 1 0 302.418 2.365 20 70 DEIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccco1 ZINC000161212289 402377438 /nfs/dbraw/zinc/37/74/38/402377438.db2.gz IDVCZXLZYALJEI-RHSMWYFYSA-N 1 0 323.437 2.219 20 70 DEIDRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000161209676 402377910 /nfs/dbraw/zinc/37/79/10/402377910.db2.gz UFZQLECTXLYODU-AEFFLSMTSA-N 1 0 319.449 2.154 20 70 DEIDRO C[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccc(F)c1 ZINC000161486648 402389263 /nfs/dbraw/zinc/38/92/63/402389263.db2.gz MHUPYMONMCGRNY-VMGRFDJRSA-N 1 0 306.381 2.114 20 70 DEIDRO C[N@H+](C[C@H](O)C(F)(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161403269 402386392 /nfs/dbraw/zinc/38/63/92/402386392.db2.gz PZHHIILHXGXLKX-LBPRGKRZSA-N 1 0 324.387 2.126 20 70 DEIDRO Cc1ccc(-n2ccnc2)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159899378 402333029 /nfs/dbraw/zinc/33/30/29/402333029.db2.gz JDYZEVXACXAVKU-GASCZTMLSA-N 1 0 310.401 2.147 20 70 DEIDRO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161405408 402386523 /nfs/dbraw/zinc/38/65/23/402386523.db2.gz FJWQXDZTUJWAPV-CYBMUJFWSA-N 1 0 301.394 2.209 20 70 DEIDRO O=C([C@@H]1CCCCO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161401094 402386626 /nfs/dbraw/zinc/38/66/26/402386626.db2.gz DVSXKXPUGWMKBY-KRWDZBQOSA-N 1 0 302.418 2.290 20 70 DEIDRO CCC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1CCOC ZINC000160100833 402336040 /nfs/dbraw/zinc/33/60/40/402336040.db2.gz FTHHWCQVIQJQLC-MRXNPFEDSA-N 1 0 323.481 2.317 20 70 DEIDRO Cc1c(C(=O)NCCC2CC[NH+](C)CC2)cnn1CC(C)C ZINC000160268119 402339319 /nfs/dbraw/zinc/33/93/19/402339319.db2.gz SOQRNKGRLPYQRA-UHFFFAOYSA-N 1 0 306.454 2.309 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000161504301 402389812 /nfs/dbraw/zinc/38/98/12/402389812.db2.gz OUFREYGDJBFMDI-VXLLPVPCSA-N 1 0 323.481 2.107 20 70 DEIDRO CC(C)(C)c1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000217301246 268574568 /nfs/dbraw/zinc/57/45/68/268574568.db2.gz LWSHWHFMBBFOMZ-UHFFFAOYSA-N 1 0 304.438 2.011 20 70 DEIDRO COC1(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC[NH2+]CC1 ZINC000160344288 274013134 /nfs/dbraw/zinc/01/31/34/274013134.db2.gz YBHNEGMRWQSYLX-AWEZNQCLSA-N 1 0 318.417 2.174 20 70 DEIDRO CC(C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)[NH+]1CCCC1 ZINC000159660937 280248879 /nfs/dbraw/zinc/24/88/79/280248879.db2.gz APJYXVHLYDGYOV-ULQDDVLXSA-N 1 0 323.481 2.364 20 70 DEIDRO CCC[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000159665426 521215607 /nfs/dbraw/zinc/21/56/07/521215607.db2.gz WTOKBIIVXUGOHX-KRWDZBQOSA-N 1 0 319.449 2.459 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000159914981 521608125 /nfs/dbraw/zinc/60/81/25/521608125.db2.gz RHMVXYWWCDEPNS-INIZCTEOSA-N 1 0 319.449 2.500 20 70 DEIDRO CC[C@H](C)OCC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000161039768 521752683 /nfs/dbraw/zinc/75/26/83/521752683.db2.gz GOHUHAYDPVDLJN-HNNXBMFYSA-N 1 0 319.449 2.188 20 70 DEIDRO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159802610 522004740 /nfs/dbraw/zinc/00/47/40/522004740.db2.gz OKODVDNSSNZNNM-GOSISDBHSA-N 1 0 315.461 2.280 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000161168116 522047415 /nfs/dbraw/zinc/04/74/15/522047415.db2.gz MBQOOMJLMRTPLC-ZDUSSCGKSA-N 1 0 312.360 2.334 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C1 ZINC000160600277 522502789 /nfs/dbraw/zinc/50/27/89/522502789.db2.gz NHIVAJGILABIAW-AWEZNQCLSA-N 1 0 306.406 2.164 20 70 DEIDRO C[N@H+](CCNC(=O)C[C@H]1CSCCS1)Cc1ccccc1 ZINC000160677430 522847979 /nfs/dbraw/zinc/84/79/79/522847979.db2.gz QJHSLBVIGXMWAA-HNNXBMFYSA-N 1 0 324.515 2.473 20 70 DEIDRO CN(Cc1cc2ccccc2o1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000161414678 523189204 /nfs/dbraw/zinc/18/92/04/523189204.db2.gz SGLBUCWDAVVNJT-CQSZACIVSA-N 1 0 302.374 2.160 20 70 DEIDRO C[C@@H](CC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160720124 524368769 /nfs/dbraw/zinc/36/87/69/524368769.db2.gz VTJNFKHJLXDGCJ-HNNXBMFYSA-N 1 0 304.434 2.001 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cnn(C)c1 ZINC000160463289 525461692 /nfs/dbraw/zinc/46/16/92/525461692.db2.gz AAGCKXDZLYMVQY-HNNXBMFYSA-N 1 0 314.433 2.103 20 70 DEIDRO O=C(Oc1ccccc1)N1CCC[N@H+](CCn2ccnc2)CC1 ZINC000159823860 526445784 /nfs/dbraw/zinc/44/57/84/526445784.db2.gz OZIDNVALBUDHDH-UHFFFAOYSA-N 1 0 314.389 2.090 20 70 DEIDRO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(-n2cnnn2)c1 ZINC000159398427 539581945 /nfs/dbraw/zinc/58/19/45/539581945.db2.gz JHJAZMSKLPASGE-CYBMUJFWSA-N 1 0 319.372 2.161 20 70 DEIDRO CCOc1ccccc1CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159810393 539584147 /nfs/dbraw/zinc/58/41/47/539584147.db2.gz ZKTSNFYAWLLRPO-UHFFFAOYSA-N 1 0 319.449 2.365 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cccc(Br)c2)C1 ZINC000160885242 539588249 /nfs/dbraw/zinc/58/82/49/539588249.db2.gz OIWPCEVIQJHKHY-STQMWFEESA-N 1 0 311.223 2.378 20 70 DEIDRO [NH3+]C1(CC(=O)N2CC[C@H](COCc3ccccc3)C2)CCC1 ZINC000161328904 539590981 /nfs/dbraw/zinc/59/09/81/539590981.db2.gz CPTIETRMOCEUNW-INIZCTEOSA-N 1 0 302.418 2.323 20 70 DEIDRO CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000161402259 539591061 /nfs/dbraw/zinc/59/10/61/539591061.db2.gz XZHBBBUHWUXCCY-KGLIPLIRSA-N 1 0 306.406 2.484 20 70 DEIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159648296 186133161 /nfs/dbraw/zinc/13/31/61/186133161.db2.gz MDLCDSVYQOAOSN-AAEUAGOBSA-N 1 0 314.476 2.141 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccccc2F)CC1 ZINC000159733103 186137695 /nfs/dbraw/zinc/13/76/95/186137695.db2.gz XGWPGFKHDVBNTF-CQSZACIVSA-N 1 0 307.413 2.494 20 70 DEIDRO CC[C@H](NC(=O)C1(OC)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000159730682 186137807 /nfs/dbraw/zinc/13/78/07/186137807.db2.gz RGSCNVRCVCINAD-AWEZNQCLSA-N 1 0 312.360 2.301 20 70 DEIDRO C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C[C@H]1CCC[C@@H]1O ZINC000159739526 186138446 /nfs/dbraw/zinc/13/84/46/186138446.db2.gz KVAABUONNJGUFN-ABAIWWIYSA-N 1 0 303.358 2.091 20 70 DEIDRO CC(C)[C@H](CNC(=O)[C@H](C)c1ccsc1)[NH+]1CCN(C)CC1 ZINC000160056285 355964178 /nfs/dbraw/zinc/96/41/78/355964178.db2.gz PZQZATFZBUQPHW-ZBFHGGJFSA-N 1 0 323.506 2.240 20 70 DEIDRO CCc1sc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000160219948 197393338 /nfs/dbraw/zinc/39/33/38/197393338.db2.gz OVXJFBZDVOAEJO-CYBMUJFWSA-N 1 0 310.463 2.196 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000160137877 197389114 /nfs/dbraw/zinc/38/91/14/197389114.db2.gz NSHZCEYTGDDUQA-AAOUONPWSA-N 1 0 322.792 2.074 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000160138005 197388478 /nfs/dbraw/zinc/38/84/78/197388478.db2.gz NSHZCEYTGDDUQA-PCAWENJQSA-N 1 0 322.792 2.074 20 70 DEIDRO Cc1ccc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)[nH]c2c1 ZINC000159973973 197378139 /nfs/dbraw/zinc/37/81/39/197378139.db2.gz RHLASJYWPFKCTB-OAHLLOKOSA-N 1 0 315.417 2.053 20 70 DEIDRO Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159950221 197375960 /nfs/dbraw/zinc/37/59/60/197375960.db2.gz GOYAWUMGYSWZRI-GFCCVEGCSA-N 1 0 302.827 2.006 20 70 DEIDRO CCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC ZINC000159767624 197362182 /nfs/dbraw/zinc/36/21/82/197362182.db2.gz BCDVFLYBQIFWRS-UHFFFAOYSA-N 1 0 306.406 2.181 20 70 DEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc([S@@](C)=O)cc1 ZINC000159539285 197360508 /nfs/dbraw/zinc/36/05/08/197360508.db2.gz HMRKYRDIOHIHHD-ASSNKEHSSA-N 1 0 308.447 2.087 20 70 DEIDRO COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1Cl ZINC000159463592 197356446 /nfs/dbraw/zinc/35/64/46/197356446.db2.gz AVCIEOVBQJDEMZ-VQSQSKOLSA-N 1 0 322.792 2.439 20 70 DEIDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159447160 197354360 /nfs/dbraw/zinc/35/43/60/197354360.db2.gz LASZSBQOXLYWEL-MNOVXSKESA-N 1 0 314.813 2.297 20 70 DEIDRO Cc1cc(Cl)ccc1OCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159594902 402326519 /nfs/dbraw/zinc/32/65/19/402326519.db2.gz CZDLTWSYOCXFTA-OKILXGFUSA-N 1 0 308.809 2.380 20 70 DEIDRO CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)C(N)=O)cc1)C(C)C ZINC000160486387 402347578 /nfs/dbraw/zinc/34/75/78/402347578.db2.gz CFDGWPHQEKOAKD-UHFFFAOYSA-N 1 0 319.449 2.158 20 70 DEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C2CCOCC2)c1C ZINC000160500924 402348301 /nfs/dbraw/zinc/34/83/01/402348301.db2.gz NOIAGUMWSXPUAU-CYBMUJFWSA-N 1 0 322.453 2.003 20 70 DEIDRO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160514673 402348538 /nfs/dbraw/zinc/34/85/38/402348538.db2.gz ZZEMEFVSUJMEMB-PBHICJAKSA-N 1 0 322.424 2.282 20 70 DEIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000160538282 402350190 /nfs/dbraw/zinc/35/01/90/402350190.db2.gz XSLNVFFPPHJTAW-UHFFFAOYSA-N 1 0 322.453 2.454 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160630819 402354497 /nfs/dbraw/zinc/35/44/97/402354497.db2.gz NWCSMYRXVYKTFM-IAGOWNOFSA-N 1 0 319.449 2.284 20 70 DEIDRO CC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1nc(C)cs1 ZINC000161440708 402387682 /nfs/dbraw/zinc/38/76/82/402387682.db2.gz DFGOZKNQLIPKTR-VXGBXAGGSA-N 1 0 304.419 2.478 20 70 DEIDRO Cc1ccc(CCC(=O)NCC2CC[NH+](CCO)CC2)c(C)c1 ZINC000160695239 402357463 /nfs/dbraw/zinc/35/74/63/402357463.db2.gz YBVHHHSTUDCPBY-UHFFFAOYSA-N 1 0 318.461 2.057 20 70 DEIDRO COC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160828557 402361879 /nfs/dbraw/zinc/36/18/79/402361879.db2.gz PGYWILBDDALKGU-GJZGRUSLSA-N 1 0 309.454 2.071 20 70 DEIDRO CN(CCc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160898454 402364833 /nfs/dbraw/zinc/36/48/33/402364833.db2.gz UCNVUPOARLKHDQ-MRXNPFEDSA-N 1 0 316.449 2.282 20 70 DEIDRO C[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1CO ZINC000160945986 402366273 /nfs/dbraw/zinc/36/62/73/402366273.db2.gz XXTCORFKASHJGV-GDBMZVCRSA-N 1 0 310.482 2.364 20 70 DEIDRO C[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1CO ZINC000160946099 402366326 /nfs/dbraw/zinc/36/63/26/402366326.db2.gz XXTCORFKASHJGV-GOEBONIOSA-N 1 0 310.482 2.364 20 70 DEIDRO CC[NH+](CC)CCN(CCOC)Cc1cnc2ccccn12 ZINC000160952440 402367308 /nfs/dbraw/zinc/36/73/08/402367308.db2.gz OUXQRLSIDADODB-UHFFFAOYSA-N 1 0 304.438 2.125 20 70 DEIDRO c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(N2CCCC2)n1 ZINC000161022261 402369919 /nfs/dbraw/zinc/36/99/19/402369919.db2.gz OMPIOYZWCVGAME-UHFFFAOYSA-N 1 0 317.433 2.457 20 70 DEIDRO C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111435 402373418 /nfs/dbraw/zinc/37/34/18/402373418.db2.gz QYIAIFVQBHWEIR-FZMZJTMJSA-N 1 0 307.825 2.493 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 ZINC000161131275 402373919 /nfs/dbraw/zinc/37/39/19/402373919.db2.gz JIKLJWXDQCVIRF-UHFFFAOYSA-N 1 0 303.362 2.396 20 70 DEIDRO COCCC1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000161134272 402374513 /nfs/dbraw/zinc/37/45/13/402374513.db2.gz HDUSQVBVKXBTJW-UHFFFAOYSA-N 1 0 323.481 2.463 20 70 DEIDRO CCNC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161389480 402385618 /nfs/dbraw/zinc/38/56/18/402385618.db2.gz FXQOWHMGDREGNJ-UHFFFAOYSA-N 1 0 300.406 2.077 20 70 DEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000159616321 402327022 /nfs/dbraw/zinc/32/70/22/402327022.db2.gz NHHSRQJQYFYFCZ-AWEZNQCLSA-N 1 0 300.406 2.120 20 70 DEIDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)SCCN1CCOCC1 ZINC000159763996 402330147 /nfs/dbraw/zinc/33/01/47/402330147.db2.gz IAQYHVFWTLIYGR-CABCVRRESA-N 1 0 314.495 2.231 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159837076 402331653 /nfs/dbraw/zinc/33/16/53/402331653.db2.gz ZRRVYPOCDCOXOZ-UHFFFAOYSA-N 1 0 322.453 2.400 20 70 DEIDRO Cc1ccc(CNC(=O)[C@H](C)SCCN2CCOCC2)cc1 ZINC000159963511 402334152 /nfs/dbraw/zinc/33/41/52/402334152.db2.gz DAWWEAYFIBWDNY-HNNXBMFYSA-N 1 0 322.474 2.065 20 70 DEIDRO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161122509 274179749 /nfs/dbraw/zinc/17/97/49/274179749.db2.gz DMKHZGKFGUTJFQ-XHSDSOJGSA-N 1 0 304.459 2.491 20 70 DEIDRO Cc1c2ccccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160479854 280273124 /nfs/dbraw/zinc/27/31/24/280273124.db2.gz AGAJCMOBSMADNH-CQSZACIVSA-N 1 0 316.401 2.318 20 70 DEIDRO CCN(CC[NH2+]C[C@H](O)COc1ccccc1Cl)C1CC1 ZINC000218430277 337326417 /nfs/dbraw/zinc/32/64/17/337326417.db2.gz HQQODSKJUJPTLJ-AWEZNQCLSA-N 1 0 312.841 2.154 20 70 DEIDRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C1CC[NH2+]CC1 ZINC000160831255 519717593 /nfs/dbraw/zinc/71/75/93/519717593.db2.gz GABRVWHXCTZIIY-KRWDZBQOSA-N 1 0 322.424 2.343 20 70 DEIDRO [NH3+]C1(CNC(=O)CSC[C@@H]2CCCCO2)CCCCC1 ZINC000159680961 534537119 /nfs/dbraw/zinc/53/71/19/534537119.db2.gz XBJGTXFQRUESOL-ZDUSSCGKSA-N 1 0 300.468 2.067 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000159919785 521608273 /nfs/dbraw/zinc/60/82/73/521608273.db2.gz GZCYZKUYSULVFX-INIZCTEOSA-N 1 0 319.449 2.500 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000159919211 521608780 /nfs/dbraw/zinc/60/87/80/521608780.db2.gz WYKGOUMMYPKEMQ-MRXNPFEDSA-N 1 0 319.449 2.500 20 70 DEIDRO COc1cc(C)cc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000159861645 522239501 /nfs/dbraw/zinc/23/95/01/522239501.db2.gz ULLJNYICZCBUFO-ZDUSSCGKSA-N 1 0 305.422 2.286 20 70 DEIDRO C[C@@H](C(=O)NCCCOC1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000160941564 524184517 /nfs/dbraw/zinc/18/45/17/524184517.db2.gz WDAQBEJDJAYFJX-RHSMWYFYSA-N 1 0 320.433 2.024 20 70 DEIDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1cnn(C)c1 ZINC000159758888 524235188 /nfs/dbraw/zinc/23/51/88/524235188.db2.gz CFHLGCCFQUCIJG-CYBMUJFWSA-N 1 0 301.390 2.302 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160399362 525541888 /nfs/dbraw/zinc/54/18/88/525541888.db2.gz SUMQOSOTYDSKIT-UKRRQHHQSA-N 1 0 310.438 2.297 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000161310512 539591086 /nfs/dbraw/zinc/59/10/86/539591086.db2.gz WUMSBWMRYZXMMZ-UONOGXRCSA-N 1 0 311.385 2.042 20 70 DEIDRO CC(C)N(C(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000161388987 539591382 /nfs/dbraw/zinc/59/13/82/539591382.db2.gz UGAGQYSLTMSZCO-INIZCTEOSA-N 1 0 318.465 2.238 20 70 DEIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000161404757 539590884 /nfs/dbraw/zinc/59/08/84/539590884.db2.gz KLUYRMUCUQHIGN-RHSMWYFYSA-N 1 0 323.400 2.089 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000159566519 186127984 /nfs/dbraw/zinc/12/79/84/186127984.db2.gz HGTMOJCWULWQLJ-GXFFZTMASA-N 1 0 316.323 2.123 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000160686021 197431749 /nfs/dbraw/zinc/43/17/49/197431749.db2.gz VVJGPPMIWLBPAF-JOYOIKCWSA-N 1 0 317.216 2.285 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000160300413 197399380 /nfs/dbraw/zinc/39/93/80/197399380.db2.gz IKDXRUDRBDIKAM-GFCCVEGCSA-N 1 0 315.398 2.174 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(F)cccc1Cl ZINC000160272878 197396339 /nfs/dbraw/zinc/39/63/39/197396339.db2.gz ODIOKGVCVVIQPK-LLVKDONJSA-N 1 0 314.788 2.056 20 70 DEIDRO O=C(NC(c1cccs1)c1cccs1)[C@H]1C[NH2+]CCO1 ZINC000159927461 197373730 /nfs/dbraw/zinc/37/37/30/197373730.db2.gz JOBLVDDRKLRDEM-SNVBAGLBSA-N 1 0 308.428 2.004 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000159917125 197373194 /nfs/dbraw/zinc/37/31/94/197373194.db2.gz SSMIJCKPUFPEEN-INIZCTEOSA-N 1 0 304.415 2.198 20 70 DEIDRO C[C@@H]1C[C@H](NC(=O)N2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159845613 197368462 /nfs/dbraw/zinc/36/84/62/197368462.db2.gz XRYTVXDQYGRAOD-ZBFHGGJFSA-N 1 0 319.474 2.408 20 70 DEIDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838540 197368481 /nfs/dbraw/zinc/36/84/81/197368481.db2.gz UKRWFHDKJBAFPM-VHSXEESVSA-N 1 0 304.312 2.413 20 70 DEIDRO CC[NH+]1CCC(CCNC(=O)N(C)CC2CCOCC2)CC1 ZINC000159804596 291658799 /nfs/dbraw/zinc/65/87/99/291658799.db2.gz OCTSVGZWSWLUBE-UHFFFAOYSA-N 1 0 311.470 2.176 20 70 DEIDRO COc1ncccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160120741 291662977 /nfs/dbraw/zinc/66/29/77/291662977.db2.gz KGACSAOEUOWWKT-UHFFFAOYSA-N 1 0 320.437 2.106 20 70 DEIDRO CCC[C@@H](C(=O)NC[C@H](c1ccccc1OC)N(C)C)[NH+](C)C ZINC000161244057 291673340 /nfs/dbraw/zinc/67/33/40/291673340.db2.gz NIBCFJASEVKGEU-JKSUJKDBSA-N 1 0 321.465 2.144 20 70 DEIDRO CC(C)NC(=O)c1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000159562325 197361896 /nfs/dbraw/zinc/36/18/96/197361896.db2.gz OIWYQJQPHGGZJN-UHFFFAOYSA-N 1 0 319.449 2.237 20 70 DEIDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159509355 197358907 /nfs/dbraw/zinc/35/89/07/197358907.db2.gz PDPVPFUEBRLCBJ-PGUXBMHVSA-N 1 0 312.360 2.385 20 70 DEIDRO COc1cc(C(=O)NCC2([NH3+])CCCCC2)cc(OC)c1OC ZINC000159504047 197358997 /nfs/dbraw/zinc/35/89/97/197358997.db2.gz VZFOZNJHRSSSRD-UHFFFAOYSA-N 1 0 322.405 2.104 20 70 DEIDRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159445546 197354065 /nfs/dbraw/zinc/35/40/65/197354065.db2.gz SBYFUWCJRWFSMN-OAHLLOKOSA-N 1 0 317.433 2.028 20 70 DEIDRO O=C(C[C@H]1CCOc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159416484 402323472 /nfs/dbraw/zinc/32/34/72/402323472.db2.gz GAFFWJXHHZFRLJ-KFWWJZLASA-N 1 0 300.402 2.296 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000217037332 402290631 /nfs/dbraw/zinc/29/06/31/402290631.db2.gz ODULNNCTYRTPKE-WBVHZDCISA-N 1 0 324.513 2.423 20 70 DEIDRO [NH3+]CC1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000217268469 402291183 /nfs/dbraw/zinc/29/11/83/402291183.db2.gz HUBWSOYFCRAZDZ-UHFFFAOYSA-N 1 0 311.223 2.189 20 70 DEIDRO CCc1c(C(=O)NC2CC[NH+](CC)CC2)cnn1CC(C)C ZINC000160339508 402341769 /nfs/dbraw/zinc/34/17/69/402341769.db2.gz OWBIXJGSQGSEFA-UHFFFAOYSA-N 1 0 306.454 2.316 20 70 DEIDRO CCOCCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160470229 402346795 /nfs/dbraw/zinc/34/67/95/402346795.db2.gz RGZPPMUBUXKKMP-GASCZTMLSA-N 1 0 318.417 2.068 20 70 DEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000160526555 402349125 /nfs/dbraw/zinc/34/91/25/402349125.db2.gz UTSJRMYUNBJJIS-STQMWFEESA-N 1 0 305.422 2.481 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000160541104 402350172 /nfs/dbraw/zinc/35/01/72/402350172.db2.gz NDBLQNNICLSAEI-SECBINFHSA-N 1 0 304.724 2.375 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000160548435 402350841 /nfs/dbraw/zinc/35/08/41/402350841.db2.gz QRAYFHPEOKRBJX-UHFFFAOYSA-N 1 0 300.406 2.179 20 70 DEIDRO CCOC(=O)CC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160707834 402357831 /nfs/dbraw/zinc/35/78/31/402357831.db2.gz KAMFZXFDNJKCEF-ZDUSSCGKSA-N 1 0 302.378 2.213 20 70 DEIDRO CCOC(=O)N(C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160847720 402362720 /nfs/dbraw/zinc/36/27/20/402362720.db2.gz RJLYUQJPJYEWOJ-UHFFFAOYSA-N 1 0 311.470 2.415 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000160907192 402365166 /nfs/dbraw/zinc/36/51/66/402365166.db2.gz BZPXMEMZXYFEHF-CABCVRRESA-N 1 0 311.470 2.365 20 70 DEIDRO CC(C)([NH2+]CC(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000161450346 402388113 /nfs/dbraw/zinc/38/81/13/402388113.db2.gz ZMWIGCMGOWMGQV-UHFFFAOYSA-N 1 0 304.177 2.013 20 70 DEIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000160928591 402365871 /nfs/dbraw/zinc/36/58/71/402365871.db2.gz YRRWMQHEJVTXNW-HNNXBMFYSA-N 1 0 309.417 2.441 20 70 DEIDRO C(CN1CCC[C@H](c2nnc3n2CCC3)C1)C[NH+]1CCCCC1 ZINC000160994408 402368991 /nfs/dbraw/zinc/36/89/91/402368991.db2.gz ZHYRTRBKXARGRP-INIZCTEOSA-N 1 0 317.481 2.280 20 70 DEIDRO COCCC1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161018862 402369439 /nfs/dbraw/zinc/36/94/39/402369439.db2.gz HYUWYLBMFZADSX-OAHLLOKOSA-N 1 0 309.454 2.073 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(F)c(NC(C)=O)c2)CC1 ZINC000161048022 402370951 /nfs/dbraw/zinc/37/09/51/402370951.db2.gz ILPPNHNHEPKMHK-UHFFFAOYSA-N 1 0 321.396 2.246 20 70 DEIDRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161322690 402382844 /nfs/dbraw/zinc/38/28/44/402382844.db2.gz LYUCCCGWQKRBCO-DLBZAZTESA-N 1 0 302.418 2.194 20 70 DEIDRO C[N@@H+]1CCN(CCOC[C@@H]2CCCO2)[C@H](c2ccccc2)C1 ZINC000161335349 402383327 /nfs/dbraw/zinc/38/33/27/402383327.db2.gz WXZIFPZVZFDIQU-ROUUACIJSA-N 1 0 304.434 2.171 20 70 DEIDRO COCCOc1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)ccc1OC ZINC000161377377 402385061 /nfs/dbraw/zinc/38/50/61/402385061.db2.gz OASXXPCHAGQBLA-QGZVFWFLSA-N 1 0 322.405 2.049 20 70 DEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccc2c(c1)OCO2 ZINC000159670126 402328604 /nfs/dbraw/zinc/32/86/04/402328604.db2.gz CDQOKXRLOFRHJW-GJZGRUSLSA-N 1 0 316.401 2.296 20 70 DEIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ncccc1F ZINC000159758492 402330294 /nfs/dbraw/zinc/33/02/94/402330294.db2.gz HVVDTWMNDROABW-MGPQQGTHSA-N 1 0 322.428 2.386 20 70 DEIDRO CCN(Cc1c(C)n[nH]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159877263 402332388 /nfs/dbraw/zinc/33/23/88/402332388.db2.gz NYKDXDBVTXSBSB-UHFFFAOYSA-N 1 0 311.389 2.285 20 70 DEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000160105405 402336366 /nfs/dbraw/zinc/33/63/66/402336366.db2.gz FHRYZMCACUWOPK-NWDGAFQWSA-N 1 0 317.275 2.354 20 70 DEIDRO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160213012 402337944 /nfs/dbraw/zinc/33/79/44/402337944.db2.gz SJMGDHMGUWFJHK-LSDHHAIUSA-N 1 0 322.424 2.282 20 70 DEIDRO COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1Cl ZINC000161492117 402389506 /nfs/dbraw/zinc/38/95/06/402389506.db2.gz AOXRDLMYPXZJHI-BVIHXZOGSA-N 1 0 308.809 2.338 20 70 DEIDRO C[C@H](C(=O)N(C)C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161389328 279181690 /nfs/dbraw/zinc/18/16/90/279181690.db2.gz RXHIDUARKCYROX-CQSZACIVSA-N 1 0 314.433 2.418 20 70 DEIDRO COc1cc2c(cc1C[NH2+]C[C@](C)(O)CSC)O[C@@H](C)C2 ZINC000217847732 337319278 /nfs/dbraw/zinc/31/92/78/337319278.db2.gz ZMXOSJNIQCRNOL-ZBEGNZNMSA-N 1 0 311.447 2.222 20 70 DEIDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1ccnc1 ZINC000159789967 518832506 /nfs/dbraw/zinc/83/25/06/518832506.db2.gz QMXKGHPVTKAPDW-AWEZNQCLSA-N 1 0 308.426 2.262 20 70 DEIDRO CC[NH+](CC)CCCNS(=O)(=O)Cc1c(F)cccc1F ZINC000160014494 520621984 /nfs/dbraw/zinc/62/19/84/520621984.db2.gz ZXKUPZFDDLWZSV-UHFFFAOYSA-N 1 0 320.405 2.116 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H](C)c1ccccc1)C(=O)OC ZINC000159650376 521440535 /nfs/dbraw/zinc/44/05/35/521440535.db2.gz SCLSZNJIWPDYPE-AWEZNQCLSA-N 1 0 320.433 2.433 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(F)c(COC)c2)CC1 ZINC000159834042 521608885 /nfs/dbraw/zinc/60/88/85/521608885.db2.gz PKPUDLZYVPKXGG-UHFFFAOYSA-N 1 0 323.412 2.209 20 70 DEIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CC3CC3)c2c1 ZINC000160621174 522178825 /nfs/dbraw/zinc/17/88/25/522178825.db2.gz GGDHWGBWJMWKHR-UHFFFAOYSA-N 1 0 300.358 2.479 20 70 DEIDRO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000161485865 523584575 /nfs/dbraw/zinc/58/45/75/523584575.db2.gz HIHVCLOWWLQVBV-KGLIPLIRSA-N 1 0 310.463 2.245 20 70 DEIDRO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1 ZINC000161258180 525452940 /nfs/dbraw/zinc/45/29/40/525452940.db2.gz QPDGESMXJSKEKC-AWEZNQCLSA-N 1 0 315.417 2.422 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159494621 525581272 /nfs/dbraw/zinc/58/12/72/525581272.db2.gz IPLFBKUJNMMGIG-ZANVPECISA-N 1 0 302.390 2.265 20 70 DEIDRO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160051555 282177106 /nfs/dbraw/zinc/17/71/06/282177106.db2.gz GECQOTJBMFTFNX-CQSZACIVSA-N 1 0 315.417 2.053 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000161113073 539589326 /nfs/dbraw/zinc/58/93/26/539589326.db2.gz VHGDUMCEVOTSGE-OLZOCXBDSA-N 1 0 302.353 2.216 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000161334183 539591414 /nfs/dbraw/zinc/59/14/14/539591414.db2.gz GBSIZKJSBIRBNE-WDEREUQCSA-N 1 0 317.311 2.022 20 70 DEIDRO C[S@@](=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159649985 355961794 /nfs/dbraw/zinc/96/17/94/355961794.db2.gz GXSOZDYJUMBCKE-OSAWLIQMSA-N 1 0 305.443 2.471 20 70 DEIDRO COC(=O)c1csc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160654599 355965190 /nfs/dbraw/zinc/96/51/90/355965190.db2.gz PBXDYEWMOXBZBZ-GFCCVEGCSA-N 1 0 323.418 2.141 20 70 DEIDRO FC(F)CN1CCC([NH2+]CCc2ccc3c(c2)OCO3)CC1 ZINC000161127653 355967941 /nfs/dbraw/zinc/96/79/41/355967941.db2.gz GRKIXAXEQVHKKA-UHFFFAOYSA-N 1 0 312.360 2.277 20 70 DEIDRO COC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000161238054 197477554 /nfs/dbraw/zinc/47/75/54/197477554.db2.gz UDTFHQIPZURXBE-RDJZCZTQSA-N 1 0 316.445 2.407 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160516337 197418425 /nfs/dbraw/zinc/41/84/25/197418425.db2.gz MYLHNBOMAGSOOV-OLZOCXBDSA-N 1 0 303.406 2.153 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000160392694 197406075 /nfs/dbraw/zinc/40/60/75/197406075.db2.gz YTBCGLAFZWBHHN-GOEBONIOSA-N 1 0 318.392 2.389 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)C1CCCCC1 ZINC000160299826 197398549 /nfs/dbraw/zinc/39/85/49/197398549.db2.gz UOCHOZCHTBVEJV-NVXWUHKLSA-N 1 0 311.470 2.053 20 70 DEIDRO CC(C)[C@@H](C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1)[NH+](C)C ZINC000159766251 197362442 /nfs/dbraw/zinc/36/24/42/197362442.db2.gz VHDMBQWKKBMUCA-UAGQMJEPSA-N 1 0 306.450 2.244 20 70 DEIDRO CN(C)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000159528958 197360730 /nfs/dbraw/zinc/36/07/30/197360730.db2.gz AFZTVTYXNNHHMS-UHFFFAOYSA-N 1 0 305.397 2.060 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000161148773 285585049 /nfs/dbraw/zinc/58/50/49/285585049.db2.gz ZUSCVVQCQJGWGL-ZDUSSCGKSA-N 1 0 320.481 2.064 20 70 DEIDRO CN1CCc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000159393634 402322572 /nfs/dbraw/zinc/32/25/72/402322572.db2.gz DEWZRMUABIIMPU-OAHLLOKOSA-N 1 0 313.445 2.237 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC000217222242 402291177 /nfs/dbraw/zinc/29/11/77/402291177.db2.gz PPIGOGLGRXBDMD-CQSZACIVSA-N 1 0 305.422 2.475 20 70 DEIDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccccc2Br)[C@@H]1C ZINC000217268422 402291185 /nfs/dbraw/zinc/29/11/85/402291185.db2.gz VVJRVDBMKYFFQG-GHMZBOCLSA-N 1 0 311.223 2.200 20 70 DEIDRO CCn1ccnc1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000217802685 402293876 /nfs/dbraw/zinc/29/38/76/402293876.db2.gz SRFVTDOBQKMNCZ-ZDUSSCGKSA-N 1 0 308.426 2.392 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000160478588 402346980 /nfs/dbraw/zinc/34/69/80/402346980.db2.gz WGGXKBMDHJNZPE-LSDHHAIUSA-N 1 0 323.481 2.049 20 70 DEIDRO COc1ccc(C)nc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000160471881 402347047 /nfs/dbraw/zinc/34/70/47/402347047.db2.gz FMWFCRCEJFFVKF-UHFFFAOYSA-N 1 0 316.405 2.267 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(F)cc1 ZINC000160491209 402347958 /nfs/dbraw/zinc/34/79/58/402347958.db2.gz OHUCAIDVZHBJJN-OAHLLOKOSA-N 1 0 308.397 2.441 20 70 DEIDRO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160516461 402349024 /nfs/dbraw/zinc/34/90/24/402349024.db2.gz MYLHNBOMAGSOOV-STQMWFEESA-N 1 0 303.406 2.153 20 70 DEIDRO C[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1c1cccc(F)c1 ZINC000161486846 402389192 /nfs/dbraw/zinc/38/91/92/402389192.db2.gz MHUPYMONMCGRNY-SRCQZFHVSA-N 1 0 306.381 2.114 20 70 DEIDRO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160516722 402349261 /nfs/dbraw/zinc/34/92/61/402349261.db2.gz MYLHNBOMAGSOOV-QWHCGFSZSA-N 1 0 303.406 2.153 20 70 DEIDRO CCc1nc2c(s1)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CCC2 ZINC000160572789 402352070 /nfs/dbraw/zinc/35/20/70/402352070.db2.gz PRTPBNXYGVLWDA-MRVPVSSYSA-N 1 0 321.368 2.351 20 70 DEIDRO C[NH+]1CCC(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000160713945 402357782 /nfs/dbraw/zinc/35/77/82/402357782.db2.gz WCLUZJXOOKMCHP-KRWDZBQOSA-N 1 0 316.449 2.367 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160967326 402367593 /nfs/dbraw/zinc/36/75/93/402367593.db2.gz ZEBFATHQBFHFOW-QGZVFWFLSA-N 1 0 319.449 2.243 20 70 DEIDRO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)C)cnn1-c1ccc(F)cc1 ZINC000161000887 402368692 /nfs/dbraw/zinc/36/86/92/402368692.db2.gz PCQVCZOIABAPDW-LBPRGKRZSA-N 1 0 318.396 2.495 20 70 DEIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000161008745 402369137 /nfs/dbraw/zinc/36/91/37/402369137.db2.gz GSRHXLVGQSSBQU-ZANVPECISA-N 1 0 313.348 2.240 20 70 DEIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000161008877 402369165 /nfs/dbraw/zinc/36/91/65/402369165.db2.gz GSRHXLVGQSSBQU-TVQRCGJNSA-N 1 0 313.348 2.240 20 70 DEIDRO CCC[C@@](C)(CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161016249 402369316 /nfs/dbraw/zinc/36/93/16/402369316.db2.gz RJMQQRSHBZJQBQ-RDJZCZTQSA-N 1 0 313.486 2.347 20 70 DEIDRO CC[C@@H](CCO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161016691 402369328 /nfs/dbraw/zinc/36/93/28/402369328.db2.gz OEEOTNLGMRRGSC-HOTGVXAUSA-N 1 0 313.486 2.205 20 70 DEIDRO COCCC1(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000161089685 402372593 /nfs/dbraw/zinc/37/25/93/402372593.db2.gz UYTKHFPQYFNZEL-OAHLLOKOSA-N 1 0 311.470 2.319 20 70 DEIDRO C/C(=C\c1ccccc1Cl)C(=O)NCCN1CC[NH+](C)CC1 ZINC000161141102 402374488 /nfs/dbraw/zinc/37/44/88/402374488.db2.gz DICYLEZASLMELX-BUHFOSPRSA-N 1 0 321.852 2.107 20 70 DEIDRO CCNC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161231985 402378324 /nfs/dbraw/zinc/37/83/24/402378324.db2.gz OWDOGQPMIDGBIR-UHFFFAOYSA-N 1 0 314.433 2.467 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccc(OC(F)F)cc1 ZINC000161309546 402382031 /nfs/dbraw/zinc/38/20/31/402382031.db2.gz VSNVQABIBNIULI-CYBMUJFWSA-N 1 0 312.360 2.431 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000161389102 402385958 /nfs/dbraw/zinc/38/59/58/402385958.db2.gz UAYGCQYJEIJRIE-MRXNPFEDSA-N 1 0 311.385 2.070 20 70 DEIDRO O=C(CCCc1nc(C2CC2)no1)NCC[NH+]1CCCCCC1 ZINC000159653902 402327820 /nfs/dbraw/zinc/32/78/20/402327820.db2.gz UGXJZHAFYCBLSI-UHFFFAOYSA-N 1 0 320.437 2.262 20 70 DEIDRO COCCc1noc(CN2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159723876 402329054 /nfs/dbraw/zinc/32/90/54/402329054.db2.gz RFDNHDIOIIYEQA-CQSZACIVSA-N 1 0 302.378 2.299 20 70 DEIDRO C[C@H]1CCC[N@H+](CCNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000159903254 402332507 /nfs/dbraw/zinc/33/25/07/402332507.db2.gz KHHXLCWNKDXAPT-ZDUSSCGKSA-N 1 0 320.437 2.118 20 70 DEIDRO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)C12CCCC2 ZINC000159928272 402333646 /nfs/dbraw/zinc/33/36/46/402333646.db2.gz VVNPNKLEPABSSN-CVEARBPZSA-N 1 0 323.481 2.461 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C1CCOCC1 ZINC000160959627 287041630 /nfs/dbraw/zinc/04/16/30/287041630.db2.gz UNFDBXCWPXIVNC-CYBMUJFWSA-N 1 0 311.447 2.136 20 70 DEIDRO CC(C)Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159946707 277511926 /nfs/dbraw/zinc/51/19/26/277511926.db2.gz WKTNQFMRNINQKU-INIZCTEOSA-N 1 0 310.463 2.243 20 70 DEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3nc(C)sc31)CC2 ZINC000160505058 279141717 /nfs/dbraw/zinc/14/17/17/279141717.db2.gz KIZXUJOPGICERG-AAEUAGOBSA-N 1 0 303.435 2.333 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000159912455 279286655 /nfs/dbraw/zinc/28/66/55/279286655.db2.gz RAJLVQMNXIGBMO-OAHLLOKOSA-N 1 0 303.406 2.117 20 70 DEIDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159651801 302096936 /nfs/dbraw/zinc/09/69/36/302096936.db2.gz SDGAKBOVMCPADF-SZMVWBNQSA-N 1 0 318.461 2.435 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159747031 520714136 /nfs/dbraw/zinc/71/41/36/520714136.db2.gz GGOJZYNJVUGMCF-OCCSQVGLSA-N 1 0 323.824 2.031 20 70 DEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)nc1 ZINC000160104967 521600406 /nfs/dbraw/zinc/60/04/06/521600406.db2.gz QGZCMXIVSNQMBC-AWEZNQCLSA-N 1 0 324.856 2.451 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCOC2CCCCCC2)CC1 ZINC000159879856 521607749 /nfs/dbraw/zinc/60/77/49/521607749.db2.gz GPAFXVDSAOPLOL-UHFFFAOYSA-N 1 0 311.470 2.463 20 70 DEIDRO COCCN(C)CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000159401745 523611345 /nfs/dbraw/zinc/61/13/45/523611345.db2.gz PKLJFYXHVKUBFY-INIZCTEOSA-N 1 0 316.449 2.160 20 70 DEIDRO COc1cccc([C@H](CNC(=O)C2=C(C)OCCC2)[NH+](C)C)c1 ZINC000160371633 524158415 /nfs/dbraw/zinc/15/84/15/524158415.db2.gz RYRWYHDBGXEVGV-KRWDZBQOSA-N 1 0 318.417 2.499 20 70 DEIDRO Cc1occc1C(=O)NC1CC[NH+](CCOCC2CC2)CC1 ZINC000160386853 526805643 /nfs/dbraw/zinc/80/56/43/526805643.db2.gz QIGCSFKXVOUWPG-UHFFFAOYSA-N 1 0 306.406 2.209 20 70 DEIDRO [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000161323683 527415193 /nfs/dbraw/zinc/41/51/93/527415193.db2.gz JOYIZHUQZNVUOT-ULQDDVLXSA-N 1 0 302.418 2.179 20 70 DEIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000160931230 539588741 /nfs/dbraw/zinc/58/87/41/539588741.db2.gz BKIHDKCXMOYXGA-KBXCAEBGSA-N 1 0 323.400 2.437 20 70 DEIDRO CCn1cnnc1C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160146466 539585034 /nfs/dbraw/zinc/58/50/34/539585034.db2.gz XPJFIUGKGKQWTC-UHFFFAOYSA-N 1 0 310.405 2.325 20 70 DEIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000161404488 539590927 /nfs/dbraw/zinc/59/09/27/539590927.db2.gz KLUYRMUCUQHIGN-PBHICJAKSA-N 1 0 323.400 2.089 20 70 DEIDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000159738602 186138543 /nfs/dbraw/zinc/13/85/43/186138543.db2.gz PCRJKYOXRNMBAC-AWEZNQCLSA-N 1 0 310.463 2.054 20 70 DEIDRO CCOCCC[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000159525757 355961983 /nfs/dbraw/zinc/96/19/83/355961983.db2.gz DHXPBRFQGOSICL-UHFFFAOYSA-N 1 0 305.422 2.467 20 70 DEIDRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159649698 355962001 /nfs/dbraw/zinc/96/20/01/355962001.db2.gz GXSOZDYJUMBCKE-YJXLLHPSSA-N 1 0 305.443 2.471 20 70 DEIDRO CC(C)C[C@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000159938161 355962676 /nfs/dbraw/zinc/96/26/76/355962676.db2.gz GJJMKSCNJJKKTM-CQSZACIVSA-N 1 0 307.438 2.362 20 70 DEIDRO CCC(CC)N(CCOC)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160753955 355966301 /nfs/dbraw/zinc/96/63/01/355966301.db2.gz IMXXXARRPJNOBP-OAHLLOKOSA-N 1 0 311.470 2.317 20 70 DEIDRO CC[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1F ZINC000160903024 355966610 /nfs/dbraw/zinc/96/66/10/355966610.db2.gz FRORKERXTOGBLB-CYBMUJFWSA-N 1 0 320.405 2.333 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1nc2ccccc2s1 ZINC000160271684 283470905 /nfs/dbraw/zinc/47/09/05/283470905.db2.gz ABSASKTZUMVVNN-JTQLQIEISA-N 1 0 307.444 2.338 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C1CCOCC1 ZINC000160959506 299323713 /nfs/dbraw/zinc/32/37/13/299323713.db2.gz UNFDBXCWPXIVNC-ZDUSSCGKSA-N 1 0 311.447 2.136 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000161166831 197471720 /nfs/dbraw/zinc/47/17/20/197471720.db2.gz AHFQUPYBGIBAST-UHFFFAOYSA-N 1 0 319.449 2.465 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1 ZINC000160479555 197414884 /nfs/dbraw/zinc/41/48/84/197414884.db2.gz HVLGFACBYDTUPV-CQSZACIVSA-N 1 0 324.428 2.103 20 70 DEIDRO CN(CC(=O)Nc1cccc2c1N=S=N2)[C@@H](C[NH3+])C1CC1 ZINC000160119258 197387184 /nfs/dbraw/zinc/38/71/84/197387184.db2.gz GFZPXJRBNSJABO-LBPRGKRZSA-N 1 0 305.407 2.021 20 70 DEIDRO COc1cc2c(c(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)c1)O[C@H](C)C2 ZINC000159515876 197360060 /nfs/dbraw/zinc/36/00/60/197360060.db2.gz GTSYRTOTAZUTQS-YNEHKIRRSA-N 1 0 318.417 2.104 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000159470282 197355684 /nfs/dbraw/zinc/35/56/84/197355684.db2.gz HJOGBWVKBBMBJS-UWVGGRQHSA-N 1 0 304.312 2.345 20 70 DEIDRO O=C(C[NH2+]CC1CC1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000159422343 197352016 /nfs/dbraw/zinc/35/20/16/197352016.db2.gz ZEMOEHVLNKCMQO-IRXDYDNUSA-N 1 0 318.417 2.307 20 70 DEIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCc2ccco2)[C@@H](C)C1 ZINC000217210043 132549916 /nfs/dbraw/zinc/54/99/16/132549916.db2.gz QXVIZFWOYJQGPH-DOTOQJQBSA-N 1 0 322.449 2.465 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)CSC[C@H]2CCCCO2)CC1 ZINC000161109116 144797459 /nfs/dbraw/zinc/79/74/59/144797459.db2.gz CJFGVIDUESZDHS-OAHLLOKOSA-N 1 0 314.495 2.137 20 70 DEIDRO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1 ZINC000159439872 402323459 /nfs/dbraw/zinc/32/34/59/402323459.db2.gz IKBRVLMWQNPNGD-CYBMUJFWSA-N 1 0 319.372 2.161 20 70 DEIDRO O=C(Cc1ccccc1Br)NCC1CC[NH2+]CC1 ZINC000217268402 402291421 /nfs/dbraw/zinc/29/14/21/402291421.db2.gz YDENCVXFAAHWKP-UHFFFAOYSA-N 1 0 311.223 2.107 20 70 DEIDRO CCc1nnc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)[nH]1 ZINC000160313761 402340519 /nfs/dbraw/zinc/34/05/19/402340519.db2.gz CYIMKERSJCELJO-SNVBAGLBSA-N 1 0 320.393 2.244 20 70 DEIDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]1C(N)=O ZINC000160346107 402341405 /nfs/dbraw/zinc/34/14/05/402341405.db2.gz SSTJEBHYGFHVGU-MRXNPFEDSA-N 1 0 303.450 2.094 20 70 DEIDRO C[C@@H](CC(=O)NCC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000160533492 402349984 /nfs/dbraw/zinc/34/99/84/402349984.db2.gz OKLNMOYCEYDUHU-HNNXBMFYSA-N 1 0 310.482 2.413 20 70 DEIDRO CC(C)N(C)C(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160585584 402352478 /nfs/dbraw/zinc/35/24/78/402352478.db2.gz KPXIGKMKFOYVTB-UHFFFAOYSA-N 1 0 309.498 2.441 20 70 DEIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000160641329 402354800 /nfs/dbraw/zinc/35/48/00/402354800.db2.gz LZKKBYIMCMQTHL-HZPDHXFCSA-N 1 0 305.422 2.115 20 70 DEIDRO CC[NH+](CC)CCNC(=O)N1CCOC2(C1)CCCCCC2 ZINC000160637238 402354940 /nfs/dbraw/zinc/35/49/40/402354940.db2.gz BPNNGTMYJIHGEB-UHFFFAOYSA-N 1 0 311.470 2.463 20 70 DEIDRO COC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000160637908 402355014 /nfs/dbraw/zinc/35/50/14/402355014.db2.gz GJMIWGQJPHHFNX-GOSISDBHSA-N 1 0 304.434 2.033 20 70 DEIDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)c1ccc(C)cc1 ZINC000160664865 402356234 /nfs/dbraw/zinc/35/62/34/402356234.db2.gz UDXSMGKKFGUQHQ-QGZVFWFLSA-N 1 0 307.390 2.126 20 70 DEIDRO CC(C)[C@H](CCO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160728523 402358410 /nfs/dbraw/zinc/35/84/10/402358410.db2.gz XJWXIOCIUVSJSU-MSOLQXFVSA-N 1 0 318.461 2.422 20 70 DEIDRO Cc1c(C(=O)NCCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000160973775 402367834 /nfs/dbraw/zinc/36/78/34/402367834.db2.gz CZSDSVLBQUJLFE-UHFFFAOYSA-N 1 0 314.433 2.479 20 70 DEIDRO CCC[C@](C)(CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161016338 402369098 /nfs/dbraw/zinc/36/90/98/402369098.db2.gz RJMQQRSHBZJQBQ-DOTOQJQBSA-N 1 0 313.486 2.347 20 70 DEIDRO O=C1[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCCN1c1ccccc1F ZINC000161025449 402370059 /nfs/dbraw/zinc/37/00/59/402370059.db2.gz LXLBMIDWRWWZSV-AEFFLSMTSA-N 1 0 318.392 2.434 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000161039469 402370477 /nfs/dbraw/zinc/37/04/77/402370477.db2.gz TYQNQUBCYKDWOW-AWEZNQCLSA-N 1 0 306.406 2.449 20 70 DEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000161062545 402370808 /nfs/dbraw/zinc/37/08/08/402370808.db2.gz XLVFTCCQDRDXSG-HNNXBMFYSA-N 1 0 319.449 2.464 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000161253528 402379291 /nfs/dbraw/zinc/37/92/91/402379291.db2.gz WQDVTBNZKDLBIB-OAHLLOKOSA-N 1 0 318.421 2.041 20 70 DEIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1csc([C@H]2CCCO2)n1 ZINC000161294143 402381303 /nfs/dbraw/zinc/38/13/03/402381303.db2.gz NMJWMYPKVIDMND-CQSZACIVSA-N 1 0 321.446 2.351 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000161316331 402382061 /nfs/dbraw/zinc/38/20/61/402382061.db2.gz YHXFSIOWWMKZBP-NSHDSACASA-N 1 0 302.403 2.029 20 70 DEIDRO COC(=O)[C@](C)(NCC1CCN(C(=O)C(C)(C)C)CC1)C1CC1 ZINC000161348744 402384129 /nfs/dbraw/zinc/38/41/29/402384129.db2.gz CLHPNZRCHHPSMF-GOSISDBHSA-N 1 0 324.465 2.202 20 70 DEIDRO COc1cc([C@@H](C)[NH2+]CCc2cnn(C)c2)cc(OC)c1OC ZINC000159745880 402329495 /nfs/dbraw/zinc/32/94/95/402329495.db2.gz YRYMFWLGQVHKLB-GFCCVEGCSA-N 1 0 319.405 2.339 20 70 DEIDRO CC[NH+]1CCC(CCNC(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000159804290 402331257 /nfs/dbraw/zinc/33/12/57/402331257.db2.gz PXOZUNXMIFHKBG-KBPBESRZSA-N 1 0 311.470 2.364 20 70 DEIDRO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161405272 402386411 /nfs/dbraw/zinc/38/64/11/402386411.db2.gz FJWQXDZTUJWAPV-ZDUSSCGKSA-N 1 0 301.394 2.209 20 70 DEIDRO Cc1c(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cnn1C ZINC000160267556 402339240 /nfs/dbraw/zinc/33/92/40/402339240.db2.gz VGIAGHLVJYOCKM-AWEZNQCLSA-N 1 0 321.469 2.182 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCSc1ccc(OC)cc1 ZINC000161158464 277276783 /nfs/dbraw/zinc/27/67/83/277276783.db2.gz LMRCWXGZVLCBFG-ZDUSSCGKSA-N 1 0 308.447 2.388 20 70 DEIDRO COCc1nc(C)cc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160440953 293330565 /nfs/dbraw/zinc/33/05/65/293330565.db2.gz VHNBXHLYJBILFX-HNNXBMFYSA-N 1 0 304.438 2.386 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000160377162 519850805 /nfs/dbraw/zinc/85/08/05/519850805.db2.gz SRRWOZCEWIRYSM-UHFFFAOYSA-N 1 0 314.389 2.295 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160174612 520720836 /nfs/dbraw/zinc/72/08/36/520720836.db2.gz OQIFZTNOTDFHPO-GFCCVEGCSA-N 1 0 322.796 2.176 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160174517 521113018 /nfs/dbraw/zinc/11/30/18/521113018.db2.gz OQIFZTNOTDFHPO-LBPRGKRZSA-N 1 0 322.796 2.176 20 70 DEIDRO CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161370729 521562236 /nfs/dbraw/zinc/56/22/36/521562236.db2.gz JDIPYSDBCGFCKW-OAHLLOKOSA-N 1 0 320.433 2.455 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)CC1 ZINC000159732675 521609447 /nfs/dbraw/zinc/60/94/47/521609447.db2.gz APLFDEJJHMKJQJ-MRXNPFEDSA-N 1 0 319.449 2.500 20 70 DEIDRO CCc1nc(-c2ccccc2NC(=O)C[N@@H+](CC)C2CC2)n[nH]1 ZINC000161344689 522120006 /nfs/dbraw/zinc/12/00/06/522120006.db2.gz XHIZTJYJZLOQAP-UHFFFAOYSA-N 1 0 313.405 2.457 20 70 DEIDRO C[N@H+](CCCOCCc1ccccc1)[C@H]1CCCCNC1=O ZINC000160299820 522777998 /nfs/dbraw/zinc/77/79/98/522777998.db2.gz IMEXIHLXJIKAAJ-KRWDZBQOSA-N 1 0 304.434 2.236 20 70 DEIDRO C[C@]1(C(=O)NCCCCOc2ccc(F)cc2)CCC[NH2+]C1 ZINC000161316198 525204487 /nfs/dbraw/zinc/20/44/87/525204487.db2.gz LLVDVLDVMUTDOC-KRWDZBQOSA-N 1 0 308.397 2.491 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159863220 526563227 /nfs/dbraw/zinc/56/32/27/526563227.db2.gz RQUZATFTVLBMDU-QWRGUYRKSA-N 1 0 308.426 2.177 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2ccccc2-n2cccn2)CC1 ZINC000160997968 528288477 /nfs/dbraw/zinc/28/84/77/528288477.db2.gz GFGTYBGSMJKEQH-UHFFFAOYSA-N 1 0 312.417 2.334 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000159413497 539582128 /nfs/dbraw/zinc/58/21/28/539582128.db2.gz HLTLSHPGBQEEDN-AWEZNQCLSA-N 1 0 301.475 2.061 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cccc(Br)c2)C1 ZINC000160885080 539588532 /nfs/dbraw/zinc/58/85/32/539588532.db2.gz OIWPCEVIQJHKHY-QWHCGFSZSA-N 1 0 311.223 2.378 20 70 DEIDRO O=C(Cc1ccsc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160303126 197398847 /nfs/dbraw/zinc/39/88/47/197398847.db2.gz GYUNDYDWZWUTJC-CVEARBPZSA-N 1 0 322.474 2.175 20 70 DEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000160263448 197396901 /nfs/dbraw/zinc/39/69/01/197396901.db2.gz GZEVNVKRHKTJNK-CQSZACIVSA-N 1 0 301.814 2.232 20 70 DEIDRO C[C@@H](CNC(=O)N(C)CC1CCOCC1)C[NH+]1CCCCC1 ZINC000159756709 291658467 /nfs/dbraw/zinc/65/84/67/291658467.db2.gz FXFGRSNRNDMARS-HNNXBMFYSA-N 1 0 311.470 2.176 20 70 DEIDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc2c(c1)OCCCO2 ZINC000159762472 197362897 /nfs/dbraw/zinc/36/28/97/197362897.db2.gz IQRXYSCZZZHSJH-ZDUSSCGKSA-N 1 0 301.390 2.475 20 70 DEIDRO CC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000159513957 197359944 /nfs/dbraw/zinc/35/99/44/197359944.db2.gz UNSZXMKRODPZTG-LBPRGKRZSA-N 1 0 310.760 2.400 20 70 DEIDRO Cc1c(CCC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000159446688 197354678 /nfs/dbraw/zinc/35/46/78/197354678.db2.gz KBPYARNBISKAJJ-ZNMIVQPWSA-N 1 0 320.481 2.144 20 70 DEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(=O)NCc1cccs1 ZINC000159601974 402326537 /nfs/dbraw/zinc/32/65/37/402326537.db2.gz JBBSJWNWOVNYIF-JSGCOSHPSA-N 1 0 321.446 2.338 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC(O)(CC)CC ZINC000217037483 402290725 /nfs/dbraw/zinc/29/07/25/402290725.db2.gz TYLJVXMEEJMDQQ-OAHLLOKOSA-N 1 0 313.486 2.491 20 70 DEIDRO O=C(Cc1ccccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000217268400 402291413 /nfs/dbraw/zinc/29/14/13/402291413.db2.gz FVWSSZJIPZYZMB-NSHDSACASA-N 1 0 311.223 2.107 20 70 DEIDRO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000159522504 402324929 /nfs/dbraw/zinc/32/49/29/402324929.db2.gz LOCLAESIGPCXQZ-ZHALLVOQSA-N 1 0 316.445 2.440 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)OCCO2 ZINC000160395031 402343986 /nfs/dbraw/zinc/34/39/86/402343986.db2.gz KRMKGWFNWNIZEH-OAHLLOKOSA-N 1 0 318.417 2.308 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000160490870 402347708 /nfs/dbraw/zinc/34/77/08/402347708.db2.gz YVSGHUUSEOPSHQ-KBPBESRZSA-N 1 0 304.390 2.248 20 70 DEIDRO C[C@H](Sc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160531171 402350187 /nfs/dbraw/zinc/35/01/87/402350187.db2.gz UAGBGGFNIGEAGM-LSDHHAIUSA-N 1 0 322.474 2.130 20 70 DEIDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160550593 402350466 /nfs/dbraw/zinc/35/04/66/402350466.db2.gz FJMHSZJSIMCXOG-ZHALLVOQSA-N 1 0 319.445 2.362 20 70 DEIDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160566341 402351401 /nfs/dbraw/zinc/35/14/01/402351401.db2.gz NIEKLQMIDUWENM-SNVBAGLBSA-N 1 0 304.312 2.414 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160599554 402353194 /nfs/dbraw/zinc/35/31/94/402353194.db2.gz AFKJMGBBWMWTSC-OAHLLOKOSA-N 1 0 314.433 2.103 20 70 DEIDRO COc1ccc(CCNC(=O)[C@@H]([NH3+])CCSC)c(Cl)c1 ZINC000160606530 402354020 /nfs/dbraw/zinc/35/40/20/402354020.db2.gz XZMBPZMLEJYKRR-ZDUSSCGKSA-N 1 0 316.854 2.088 20 70 DEIDRO CC(C)(C)c1noc(CCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000160650569 402355504 /nfs/dbraw/zinc/35/55/04/402355504.db2.gz ASJFOMMWWMNLEV-BETUJISGSA-N 1 0 320.437 2.043 20 70 DEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc2c(s1)CCCC2 ZINC000160671407 402356634 /nfs/dbraw/zinc/35/66/34/402356634.db2.gz FZGZNRABFRRDKR-UHFFFAOYSA-N 1 0 322.474 2.061 20 70 DEIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000160690721 402357441 /nfs/dbraw/zinc/35/74/41/402357441.db2.gz SPLKHEFDRYXMTJ-GJZGRUSLSA-N 1 0 323.437 2.267 20 70 DEIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000160821315 402362062 /nfs/dbraw/zinc/36/20/62/402362062.db2.gz GXKOJQOFIVLQPD-LSDHHAIUSA-N 1 0 321.465 2.214 20 70 DEIDRO CCCCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160843573 402362676 /nfs/dbraw/zinc/36/26/76/402362676.db2.gz ZNLPNIMPCLTFAU-HNNXBMFYSA-N 1 0 311.470 2.461 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[C@H](O)C(C)C ZINC000160918343 402365309 /nfs/dbraw/zinc/36/53/09/402365309.db2.gz UUOJWGXEFJWDCC-CVEARBPZSA-N 1 0 313.486 2.203 20 70 DEIDRO CC[C@](C)(CCO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160928936 402365959 /nfs/dbraw/zinc/36/59/59/402365959.db2.gz KEOZRMVDOOUHCX-NVXWUHKLSA-N 1 0 313.486 2.347 20 70 DEIDRO CC[C@H](O)CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000160947834 402366358 /nfs/dbraw/zinc/36/63/58/402366358.db2.gz KMMPBMMBYNOQNU-KRWDZBQOSA-N 1 0 321.465 2.487 20 70 DEIDRO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940542 402366377 /nfs/dbraw/zinc/36/63/77/402366377.db2.gz RVVLLKFOQNRURP-KEYYUXOJSA-N 1 0 324.490 2.050 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C(C)(C)C ZINC000161001999 402369007 /nfs/dbraw/zinc/36/90/07/402369007.db2.gz XWESDTFZFCHCSJ-GJZGRUSLSA-N 1 0 313.486 2.203 20 70 DEIDRO CC(=O)Nc1ccc(CC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161026100 402369592 /nfs/dbraw/zinc/36/95/92/402369592.db2.gz OIOQLTICPWJGTP-UHFFFAOYSA-N 1 0 317.433 2.224 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161040228 402370380 /nfs/dbraw/zinc/37/03/80/402370380.db2.gz DJLJGTKIALVKSU-OWCLPIDISA-N 1 0 306.406 2.435 20 70 DEIDRO c1cnn(-c2ncccc2C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161452460 402388336 /nfs/dbraw/zinc/38/83/36/402388336.db2.gz JSTGKIIKIYQOJO-UHFFFAOYSA-N 1 0 314.389 2.043 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000161191074 402377161 /nfs/dbraw/zinc/37/71/61/402377161.db2.gz SQVHUISQDPGJSL-USWWRNFRSA-N 1 0 316.327 2.305 20 70 DEIDRO COC1(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000161237935 402378974 /nfs/dbraw/zinc/37/89/74/402378974.db2.gz UDTFHQIPZURXBE-WBVHZDCISA-N 1 0 316.445 2.407 20 70 DEIDRO Cn1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000161341683 402383382 /nfs/dbraw/zinc/38/33/82/402383382.db2.gz KFYJBZZWTHBSGD-UHFFFAOYSA-N 1 0 318.808 2.032 20 70 DEIDRO CCNC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161387617 402385834 /nfs/dbraw/zinc/38/58/34/402385834.db2.gz APDNEFFEGMZLMV-UHFFFAOYSA-N 1 0 318.396 2.216 20 70 DEIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000159802181 402331168 /nfs/dbraw/zinc/33/11/68/402331168.db2.gz ALURMELQYVMMIX-HNNXBMFYSA-N 1 0 320.437 2.010 20 70 DEIDRO C[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000159865027 402332376 /nfs/dbraw/zinc/33/23/76/402332376.db2.gz YKYKFGRAIJWEER-CQSZACIVSA-N 1 0 323.481 2.317 20 70 DEIDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000161414769 402386555 /nfs/dbraw/zinc/38/65/55/402386555.db2.gz LPJDTAIUTVPOSL-SFHVURJKSA-N 1 0 306.450 2.173 20 70 DEIDRO Cc1cccc([C@@H]2CCCN2CC(=O)NC(=O)NCC(C)C)n1 ZINC000160009199 402335002 /nfs/dbraw/zinc/33/50/02/402335002.db2.gz OCGGCHPLGSHITM-HNNXBMFYSA-N 1 0 318.421 2.009 20 70 DEIDRO Cc1nc([C@H](NC(=O)CC[NH2+]C(C)C)c2ccccc2F)no1 ZINC000160138356 402337019 /nfs/dbraw/zinc/33/70/19/402337019.db2.gz GFWULNIOGFPTFN-OAHLLOKOSA-N 1 0 320.368 2.111 20 70 DEIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc[nH]c1=O ZINC000161510197 402389861 /nfs/dbraw/zinc/38/98/61/402389861.db2.gz PFCHZSABFOYGEL-UHFFFAOYSA-N 1 0 317.364 2.130 20 70 DEIDRO O=C([C@@H]1COc2ccc(Cl)cc2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160082282 275006168 /nfs/dbraw/zinc/00/61/68/275006168.db2.gz WXCRZWCIVZPOMT-AEGPPILISA-N 1 0 320.820 2.244 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000161161200 277284546 /nfs/dbraw/zinc/28/45/46/277284546.db2.gz LZVRTJJMBNNUBG-GXTWGEPZSA-N 1 0 308.809 2.102 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)COc2cccc(OC)c2)CC1 ZINC000160393100 519848928 /nfs/dbraw/zinc/84/89/28/519848928.db2.gz IQZPOWOSWGULTG-UHFFFAOYSA-N 1 0 306.406 2.018 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(C)c(OC)c2)CC1 ZINC000159896338 521607700 /nfs/dbraw/zinc/60/77/00/521607700.db2.gz BFOSIPMLOGYPCZ-UHFFFAOYSA-N 1 0 319.449 2.283 20 70 DEIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160380291 521722466 /nfs/dbraw/zinc/72/24/66/521722466.db2.gz MVYRNLPWGMERBT-NCOADZHNSA-N 1 0 321.465 2.212 20 70 DEIDRO CCc1ccccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161373880 521809775 /nfs/dbraw/zinc/80/97/75/521809775.db2.gz QLVMJCAJADWOGP-GJZGRUSLSA-N 1 0 304.434 2.478 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160630601 522979460 /nfs/dbraw/zinc/97/94/60/522979460.db2.gz NWCSMYRXVYKTFM-SJORKVTESA-N 1 0 319.449 2.284 20 70 DEIDRO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159773200 524104355 /nfs/dbraw/zinc/10/43/55/524104355.db2.gz XJJCEDHUILONAE-UHFFFAOYSA-N 1 0 312.417 2.473 20 70 DEIDRO C[C@H](CNC(=O)CC/C=C/c1ccccc1)N1CC[NH+](C)CC1 ZINC000160151434 524374777 /nfs/dbraw/zinc/37/47/77/524374777.db2.gz WMMIRQFGTBUONE-DKISHCGFSA-N 1 0 315.461 2.232 20 70 DEIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000159444570 524691570 /nfs/dbraw/zinc/69/15/70/524691570.db2.gz DHKKSRIWINIDAH-CJNGLKHVSA-N 1 0 324.852 2.498 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccccc2)CCC1 ZINC000160271821 526484526 /nfs/dbraw/zinc/48/45/26/526484526.db2.gz KXMKLBNVFWZJIX-QGZVFWFLSA-N 1 0 316.445 2.071 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000160779485 539587648 /nfs/dbraw/zinc/58/76/48/539587648.db2.gz LCDUWPRXACQLCB-VHSXEESVSA-N 1 0 317.311 2.022 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2nc(-c3cccs3)no2)C1 ZINC000160898785 539588155 /nfs/dbraw/zinc/58/81/55/539588155.db2.gz HCHWDCKBKPXSOV-QWRGUYRKSA-N 1 0 320.418 2.117 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000160981837 539588234 /nfs/dbraw/zinc/58/82/34/539588234.db2.gz ZYFAJSNZXBINEK-VXGBXAGGSA-N 1 0 305.403 2.332 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000161080858 539589472 /nfs/dbraw/zinc/58/94/72/539589472.db2.gz LGMSLMDCAGHBEC-CHWSQXEVSA-N 1 0 302.353 2.011 20 70 DEIDRO CC(C)(CO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000160167541 539584905 /nfs/dbraw/zinc/58/49/05/539584905.db2.gz HEDFSKOVNWJASB-LLVKDONJSA-N 1 0 322.232 2.341 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCOCCc2ccccc2)C1 ZINC000161505644 539591774 /nfs/dbraw/zinc/59/17/74/539591774.db2.gz DBNYOEAIYQXAKB-IRXDYDNUSA-N 1 0 304.434 2.412 20 70 DEIDRO CC[NH+]1CCC(NC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000159575860 355961930 /nfs/dbraw/zinc/96/19/30/355961930.db2.gz XWRIUUXLOLQZCI-UHFFFAOYSA-N 1 0 323.481 2.319 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000159811709 355963047 /nfs/dbraw/zinc/96/30/47/355963047.db2.gz GDMARFMKIKQASY-GFCCVEGCSA-N 1 0 310.442 2.254 20 70 DEIDRO CC(C)[C@H](CNC(=O)[C@@H](C)c1ccsc1)[NH+]1CCN(C)CC1 ZINC000160056014 355963084 /nfs/dbraw/zinc/96/30/84/355963084.db2.gz PZQZATFZBUQPHW-HOCLYGCPSA-N 1 0 323.506 2.240 20 70 DEIDRO C[C@H](O)C[NH+]1CCC(CN(C)c2nc3ccccc3o2)CC1 ZINC000216931595 201505670 /nfs/dbraw/zinc/50/56/70/201505670.db2.gz WCYWIGWMVCBAAN-ZDUSSCGKSA-N 1 0 303.406 2.357 20 70 DEIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)C3CC3)CC2)CC1 ZINC000160974627 197453561 /nfs/dbraw/zinc/45/35/61/197453561.db2.gz FSXQEAZPZVGQQW-UHFFFAOYSA-N 1 0 300.468 2.111 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000160520110 197418669 /nfs/dbraw/zinc/41/86/69/197418669.db2.gz QGWXTNMLYUWGCP-LLVKDONJSA-N 1 0 319.792 2.087 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000160392561 197406497 /nfs/dbraw/zinc/40/64/97/197406497.db2.gz YTBCGLAFZWBHHN-GDBMZVCRSA-N 1 0 318.392 2.389 20 70 DEIDRO CCSCC[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000160412594 197408309 /nfs/dbraw/zinc/40/83/09/197408309.db2.gz FGTRCGXWCLIHSR-UHFFFAOYSA-N 1 0 316.511 2.383 20 70 DEIDRO COCC(C)(C)NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160199520 197392365 /nfs/dbraw/zinc/39/23/65/197392365.db2.gz ZNGFEQAAIKDJJQ-HOCLYGCPSA-N 1 0 319.449 2.374 20 70 DEIDRO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160003324 197379291 /nfs/dbraw/zinc/37/92/91/197379291.db2.gz VKFSTIGEGNQCHX-UHFFFAOYSA-N 1 0 313.405 2.078 20 70 DEIDRO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159463211 197355777 /nfs/dbraw/zinc/35/57/77/197355777.db2.gz JTBJJPHDJMVWMU-ZVZYQTTQSA-N 1 0 316.445 2.447 20 70 DEIDRO Cc1nc(C)c(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)s1 ZINC000159444176 197354712 /nfs/dbraw/zinc/35/47/12/197354712.db2.gz SUFBNZITAGXBMS-CQSZACIVSA-N 1 0 324.494 2.284 20 70 DEIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCCc1cccc(F)c1 ZINC000159451822 402324009 /nfs/dbraw/zinc/32/40/09/402324009.db2.gz VQTPQUMYMRGTOQ-QGZVFWFLSA-N 1 0 300.377 2.445 20 70 DEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000159568992 402325952 /nfs/dbraw/zinc/32/59/52/402325952.db2.gz WJNZNZJTFNREGE-AWEZNQCLSA-N 1 0 320.437 2.260 20 70 DEIDRO COc1ccc(OC)c(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159589351 402326318 /nfs/dbraw/zinc/32/63/18/402326318.db2.gz LOYFJUOTJBHJOI-QHLGLPELSA-N 1 0 316.401 2.070 20 70 DEIDRO C[C@@H](Cc1ccccc1F)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000160336121 402341541 /nfs/dbraw/zinc/34/15/41/402341541.db2.gz OIPZVJIDUKTRMC-AWEZNQCLSA-N 1 0 322.424 2.231 20 70 DEIDRO C[NH+]1CCC(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160335775 402341727 /nfs/dbraw/zinc/34/17/27/402341727.db2.gz WGSPAWAFZGHZIT-INIZCTEOSA-N 1 0 319.405 2.070 20 70 DEIDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cn1 ZINC000160455326 402346541 /nfs/dbraw/zinc/34/65/41/402346541.db2.gz MORLIJQKVKVOAN-UHFFFAOYSA-N 1 0 304.438 2.406 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1cccnc1OCC(F)(F)F ZINC000160548326 402350733 /nfs/dbraw/zinc/35/07/33/402350733.db2.gz URXPAOSVBWJFMP-UHFFFAOYSA-N 1 0 319.327 2.270 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000160554994 402351386 /nfs/dbraw/zinc/35/13/86/402351386.db2.gz PKOOCIJOBNIGBT-UHFFFAOYSA-N 1 0 315.421 2.131 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000160571720 402351655 /nfs/dbraw/zinc/35/16/55/402351655.db2.gz LXMWLNIZVKSWIP-AWEZNQCLSA-N 1 0 315.442 2.097 20 70 DEIDRO O=C(C[NH2+][C@@H]1CCCOc2ccccc21)NCC(F)(F)F ZINC000160588632 402352297 /nfs/dbraw/zinc/35/22/97/402352297.db2.gz ZFOAUPMJHYJYCA-LLVKDONJSA-N 1 0 302.296 2.168 20 70 DEIDRO Cc1nc2c(s1)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CCC2 ZINC000160597573 402353289 /nfs/dbraw/zinc/35/32/89/402353289.db2.gz XFRSAAOFQBYIKD-MRVPVSSYSA-N 1 0 307.341 2.097 20 70 DEIDRO C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160685529 402356666 /nfs/dbraw/zinc/35/66/66/402356666.db2.gz XYRVBLQDEAPOKN-XJKSGUPXSA-N 1 0 306.381 2.289 20 70 DEIDRO Cc1nccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000160711708 402357811 /nfs/dbraw/zinc/35/78/11/402357811.db2.gz OTZQCESRFACYEK-UHFFFAOYSA-N 1 0 319.453 2.048 20 70 DEIDRO CCc1cc(=O)[nH]c(CN(C)Cc2ccc(O)c(OC)c2)n1 ZINC000160726901 402358508 /nfs/dbraw/zinc/35/85/08/402358508.db2.gz LNRWCLRYZZSVMH-UHFFFAOYSA-N 1 0 303.362 2.091 20 70 DEIDRO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC)CC2)C12CCC2 ZINC000160752632 402359675 /nfs/dbraw/zinc/35/96/75/402359675.db2.gz RCCSWWVHLYRUIL-CVEARBPZSA-N 1 0 323.481 2.460 20 70 DEIDRO COC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160793323 402360999 /nfs/dbraw/zinc/36/09/99/402360999.db2.gz XDWLHGHVBRQKKK-DLBZAZTESA-N 1 0 302.418 2.365 20 70 DEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160866280 402363469 /nfs/dbraw/zinc/36/34/69/402363469.db2.gz LGDWGDOVYFWILR-RHSMWYFYSA-N 1 0 311.470 2.053 20 70 DEIDRO COCCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160905284 402364707 /nfs/dbraw/zinc/36/47/07/402364707.db2.gz SLPVDEXBZWOTPI-HNNXBMFYSA-N 1 0 311.470 2.317 20 70 DEIDRO COCCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160905157 402364819 /nfs/dbraw/zinc/36/48/19/402364819.db2.gz SLPVDEXBZWOTPI-OAHLLOKOSA-N 1 0 311.470 2.317 20 70 DEIDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cc1 ZINC000161099303 402372726 /nfs/dbraw/zinc/37/27/26/402372726.db2.gz MXHPVXOWNIBRMO-IAGOWNOFSA-N 1 0 320.433 2.050 20 70 DEIDRO C[C@@H](O)C(C)(C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000161125792 402373901 /nfs/dbraw/zinc/37/39/01/402373901.db2.gz MEPKTNYTELPSGR-GFCCVEGCSA-N 1 0 300.443 2.383 20 70 DEIDRO CCC1(CNC(=O)NCC2([NH+](C)C)CCOCC2)CCCC1 ZINC000161135637 402374609 /nfs/dbraw/zinc/37/46/09/402374609.db2.gz IFGOQHGVBIWMKX-UHFFFAOYSA-N 1 0 311.470 2.367 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000161178638 402376479 /nfs/dbraw/zinc/37/64/79/402376479.db2.gz MLXVZQRAVRIYEW-YNEHKIRRSA-N 1 0 302.484 2.024 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000161248776 402379384 /nfs/dbraw/zinc/37/93/84/402379384.db2.gz BUGWJCOZNFYQBS-OAHLLOKOSA-N 1 0 323.481 2.049 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000161308219 402382119 /nfs/dbraw/zinc/38/21/19/402382119.db2.gz LQZBCXCEQHXQPE-WQVCFCJDSA-N 1 0 315.417 2.105 20 70 DEIDRO O=C(C[NH2+]CC1CC1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161326579 402382614 /nfs/dbraw/zinc/38/26/14/402382614.db2.gz YMICCDOHWORYJW-KRWDZBQOSA-N 1 0 302.418 2.051 20 70 DEIDRO CN(CCc1cccs1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000161395059 402385770 /nfs/dbraw/zinc/38/57/70/402385770.db2.gz RIECQVNJHNWFRS-UHFFFAOYSA-N 1 0 300.427 2.245 20 70 DEIDRO CCOCc1ccccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159617792 402326956 /nfs/dbraw/zinc/32/69/56/402326956.db2.gz XZZSLDAZNXCFNA-UHFFFAOYSA-N 1 0 319.449 2.460 20 70 DEIDRO COCc1cc([C@@H](C)[NH2+]CCc2cnn(C)c2)ccc1OC ZINC000159748284 402329629 /nfs/dbraw/zinc/32/96/29/402329629.db2.gz LVMVWSVGLRAYNS-CYBMUJFWSA-N 1 0 303.406 2.468 20 70 DEIDRO C[N@H+](C[C@@H](O)C(F)(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161403396 402386509 /nfs/dbraw/zinc/38/65/09/402386509.db2.gz PZHHIILHXGXLKX-GFCCVEGCSA-N 1 0 324.387 2.126 20 70 DEIDRO O=C(C[C@H]1CCc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160178161 402337349 /nfs/dbraw/zinc/33/73/49/402337349.db2.gz FCMJOLAFQPDVTH-IAGOWNOFSA-N 1 0 316.445 2.070 20 70 DEIDRO CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160213943 402338161 /nfs/dbraw/zinc/33/81/61/402338161.db2.gz UZCZFCUOGVYKCR-DOTOQJQBSA-N 1 0 319.449 2.063 20 70 DEIDRO Cn1cnc2cc(C(=O)N(CC[NH+](C)C)c3ccccc3)cnc21 ZINC000160269435 402339119 /nfs/dbraw/zinc/33/91/19/402339119.db2.gz ZISNVKCWAYLUIX-UHFFFAOYSA-N 1 0 323.400 2.177 20 70 DEIDRO COC1(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC[NH2+]CC1 ZINC000159805081 277462099 /nfs/dbraw/zinc/46/20/99/277462099.db2.gz PZNILBWFDLAENB-HIFRSBDPSA-N 1 0 320.408 2.299 20 70 DEIDRO CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160972451 519048867 /nfs/dbraw/zinc/04/88/67/519048867.db2.gz DERKQHZZHONFDI-HOCLYGCPSA-N 1 0 304.434 2.133 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCOCc1ccccc1 ZINC000159384453 519645571 /nfs/dbraw/zinc/64/55/71/519645571.db2.gz GHLCQXNHONHRCR-UHFFFAOYSA-N 1 0 307.438 2.185 20 70 DEIDRO CC(C)Oc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160240897 519783962 /nfs/dbraw/zinc/78/39/62/519783962.db2.gz DGRXXCPVPXBYBO-OAHLLOKOSA-N 1 0 320.433 2.050 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2)CC1 ZINC000159860458 521608570 /nfs/dbraw/zinc/60/85/70/521608570.db2.gz SXDBLSBDULXSRL-OAHLLOKOSA-N 1 0 305.422 2.191 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000160463762 522501034 /nfs/dbraw/zinc/50/10/34/522501034.db2.gz KEMOTMFWCIQIGE-HNNXBMFYSA-N 1 0 313.401 2.403 20 70 DEIDRO CN(Cc1cc2ccccc2o1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000161414548 523186987 /nfs/dbraw/zinc/18/69/87/523186987.db2.gz SGLBUCWDAVVNJT-AWEZNQCLSA-N 1 0 302.374 2.160 20 70 DEIDRO CCc1ccc(C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000160868182 523900332 /nfs/dbraw/zinc/90/03/32/523900332.db2.gz HNNXYUPVIOYCFX-KRWDZBQOSA-N 1 0 318.461 2.411 20 70 DEIDRO C[C@H](C(=O)NCCCOC1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000160941448 526046847 /nfs/dbraw/zinc/04/68/47/526046847.db2.gz WDAQBEJDJAYFJX-WMLDXEAASA-N 1 0 320.433 2.024 20 70 DEIDRO COc1cccc(O[C@H](C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161129006 526239969 /nfs/dbraw/zinc/23/99/69/526239969.db2.gz FNHIKNSWEMWILR-RDBSUJKOSA-N 1 0 306.406 2.096 20 70 DEIDRO O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160410296 527605095 /nfs/dbraw/zinc/60/50/95/527605095.db2.gz OHEPKZSQWQEHBK-DQCUJPBYSA-N 1 0 322.412 2.238 20 70 DEIDRO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159547292 539582776 /nfs/dbraw/zinc/58/27/76/539582776.db2.gz VTQGJSBXRLTMKI-ZFWWWQNUSA-N 1 0 320.437 2.030 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000160767040 539587912 /nfs/dbraw/zinc/58/79/12/539587912.db2.gz CJRJNCZFQNDPHJ-JKSUJKDBSA-N 1 0 316.449 2.462 20 70 DEIDRO CC(C)(CO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000160167419 539584756 /nfs/dbraw/zinc/58/47/56/539584756.db2.gz HEDFSKOVNWJASB-NSHDSACASA-N 1 0 322.232 2.341 20 70 DEIDRO CCCc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)[nH]c(C)c1C(C)=O ZINC000161509161 539591921 /nfs/dbraw/zinc/59/19/21/539591921.db2.gz TWTFIVGAFGLIOA-STQMWFEESA-N 1 0 305.422 2.478 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000161197188 539590633 /nfs/dbraw/zinc/59/06/33/539590633.db2.gz IRTXDGWDRVIVPY-UWVGGRQHSA-N 1 0 313.195 2.154 20 70 DEIDRO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)sc1C ZINC000159676995 186134746 /nfs/dbraw/zinc/13/47/46/186134746.db2.gz WFUFBSZXMZHBIB-WXHSDQCUSA-N 1 0 311.451 2.180 20 70 DEIDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000159738735 186138558 /nfs/dbraw/zinc/13/85/58/186138558.db2.gz PCRJKYOXRNMBAC-CQSZACIVSA-N 1 0 310.463 2.054 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000159740102 186138792 /nfs/dbraw/zinc/13/87/92/186138792.db2.gz STYJQNRYNDFWBB-CQSZACIVSA-N 1 0 305.422 2.060 20 70 DEIDRO CC(C)[C@@H](CNC(=O)[C@H](C)c1ccsc1)[NH+]1CCN(C)CC1 ZINC000160056151 355964241 /nfs/dbraw/zinc/96/42/41/355964241.db2.gz PZQZATFZBUQPHW-GDBMZVCRSA-N 1 0 323.506 2.240 20 70 DEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160742068 355966555 /nfs/dbraw/zinc/96/65/55/355966555.db2.gz HGOCJZAOKDJCHB-GOEBONIOSA-N 1 0 302.422 2.346 20 70 DEIDRO C[C@@H](O)[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160934962 355967832 /nfs/dbraw/zinc/96/78/32/355967832.db2.gz BNNNFNSHQSEKAQ-GDBMZVCRSA-N 1 0 310.482 2.364 20 70 DEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000160551912 197421810 /nfs/dbraw/zinc/42/18/10/197421810.db2.gz INUMCPKWEJFVIZ-LSDHHAIUSA-N 1 0 308.447 2.246 20 70 DEIDRO Cc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160249894 197396039 /nfs/dbraw/zinc/39/60/39/197396039.db2.gz SLXBVXRHRCUKQN-GOSISDBHSA-N 1 0 318.461 2.199 20 70 DEIDRO CC(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000160157497 197389883 /nfs/dbraw/zinc/38/98/83/197389883.db2.gz KUTCTTQVSPASPZ-MRXNPFEDSA-N 1 0 324.446 2.075 20 70 DEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000160242771 197394588 /nfs/dbraw/zinc/39/45/88/197394588.db2.gz ZJLGIKFAUYYRLE-JSGCOSHPSA-N 1 0 308.389 2.285 20 70 DEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000160105537 197386214 /nfs/dbraw/zinc/38/62/14/197386214.db2.gz FHRYZMCACUWOPK-RYUDHWBXSA-N 1 0 317.275 2.354 20 70 DEIDRO Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCCC[NH3+] ZINC000160071763 197383968 /nfs/dbraw/zinc/38/39/68/197383968.db2.gz JDRCDIDBQDCKBN-CMDGGOBGSA-N 1 0 318.808 2.312 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000159953886 197376359 /nfs/dbraw/zinc/37/63/59/197376359.db2.gz PEYIIOQHVLMRJA-LLVKDONJSA-N 1 0 323.245 2.351 20 70 DEIDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCCCO1 ZINC000159937886 197374750 /nfs/dbraw/zinc/37/47/50/197374750.db2.gz SPAZJLJBBSRJCW-QGZVFWFLSA-N 1 0 317.433 2.254 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)C1 ZINC000160709316 291669438 /nfs/dbraw/zinc/66/94/38/291669438.db2.gz DWUOWGOQLHTSFR-GFUIURDCSA-N 1 0 324.856 2.334 20 70 DEIDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)C[NH3+])cc1 ZINC000161031716 291671852 /nfs/dbraw/zinc/67/18/52/291671852.db2.gz INTMBSAGGQUKPK-JKSUJKDBSA-N 1 0 306.406 2.240 20 70 DEIDRO CCC[C@H](C(=O)NC[C@H](c1ccccc1OC)N(C)C)[NH+](C)C ZINC000161244162 291673324 /nfs/dbraw/zinc/67/33/24/291673324.db2.gz NIBCFJASEVKGEU-HZPDHXFCSA-N 1 0 321.465 2.144 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2F)c1 ZINC000159775729 197363563 /nfs/dbraw/zinc/36/35/63/197363563.db2.gz XGLWOMPCMWVARB-NWDGAFQWSA-N 1 0 302.353 2.386 20 70 DEIDRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159447052 197354424 /nfs/dbraw/zinc/35/44/24/197354424.db2.gz LASZSBQOXLYWEL-GHMZBOCLSA-N 1 0 314.813 2.297 20 70 DEIDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159412731 197351859 /nfs/dbraw/zinc/35/18/59/197351859.db2.gz OEPRUDIPNBNHRR-CQSZACIVSA-N 1 0 310.463 2.258 20 70 DEIDRO CS[C@@H]1CCC[C@@H](NC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000159571377 295638884 /nfs/dbraw/zinc/63/88/84/295638884.db2.gz WCKBNIBNGHSIQY-HUUCEWRRSA-N 1 0 304.459 2.273 20 70 DEIDRO CN1CCc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000159393822 402322943 /nfs/dbraw/zinc/32/29/43/402322943.db2.gz DEWZRMUABIIMPU-HNNXBMFYSA-N 1 0 313.445 2.237 20 70 DEIDRO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217139951 402291170 /nfs/dbraw/zinc/29/11/70/402291170.db2.gz QTIUCVPOJDHBHQ-DZGCQCFKSA-N 1 0 323.868 2.371 20 70 DEIDRO CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@H]1C(N)=O ZINC000160305631 402340628 /nfs/dbraw/zinc/34/06/28/402340628.db2.gz SCVVKMAYBOTOIC-INIZCTEOSA-N 1 0 312.417 2.445 20 70 DEIDRO O=C(C1CCN(CCC[NH+]2CCCCC2)CC1)N1CCCC1 ZINC000160354569 402342192 /nfs/dbraw/zinc/34/21/92/402342192.db2.gz UFWVHAJVCIWZAF-UHFFFAOYSA-N 1 0 307.482 2.197 20 70 DEIDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000160370409 402342925 /nfs/dbraw/zinc/34/29/25/402342925.db2.gz XUGJASHSTYMDRZ-SNVBAGLBSA-N 1 0 300.324 2.057 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000160462096 402346534 /nfs/dbraw/zinc/34/65/34/402346534.db2.gz ZJYHBYRZOPYBLT-UHFFFAOYSA-N 1 0 312.845 2.098 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21 ZINC000160495325 402347965 /nfs/dbraw/zinc/34/79/65/402347965.db2.gz BSVVGSWRGQGAIW-MRXNPFEDSA-N 1 0 314.433 2.273 20 70 DEIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000160536419 402350192 /nfs/dbraw/zinc/35/01/92/402350192.db2.gz NTPNKCPUZFAPRI-UHFFFAOYSA-N 1 0 320.437 2.371 20 70 DEIDRO CCc1ccc(CCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160623657 402354385 /nfs/dbraw/zinc/35/43/85/402354385.db2.gz ABUCDRHTQSWRTC-UHFFFAOYSA-N 1 0 318.461 2.002 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C1 ZINC000160805013 402361464 /nfs/dbraw/zinc/36/14/64/402361464.db2.gz BTHARELICMLKLF-LLVKDONJSA-N 1 0 318.808 2.174 20 70 DEIDRO CCC(CC)[C@@H](CNC(=O)NCC[C@@H](O)CC)[NH+]1CCCC1 ZINC000160902651 402364584 /nfs/dbraw/zinc/36/45/84/402364584.db2.gz XLZMKLPCYVAAOA-JKSUJKDBSA-N 1 0 313.486 2.347 20 70 DEIDRO CC(=O)N(Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1)C(C)C ZINC000160954872 402367178 /nfs/dbraw/zinc/36/71/78/402367178.db2.gz MMHXGKOJSRHQCT-UHFFFAOYSA-N 1 0 317.433 2.382 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C(C)(C)C ZINC000161001900 402368707 /nfs/dbraw/zinc/36/87/07/402368707.db2.gz XWESDTFZFCHCSJ-CABCVRRESA-N 1 0 313.486 2.203 20 70 DEIDRO COCCC1(CNC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000161000582 402368925 /nfs/dbraw/zinc/36/89/25/402368925.db2.gz WIEZACYPBQVSFL-UHFFFAOYSA-N 1 0 311.470 2.319 20 70 DEIDRO O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161452515 402388263 /nfs/dbraw/zinc/38/82/63/402388263.db2.gz CGCSLDPKYFIRKO-GJZGRUSLSA-N 1 0 318.392 2.247 20 70 DEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161062148 402370871 /nfs/dbraw/zinc/37/08/71/402370871.db2.gz XZMGOBMYKKFHAB-OAHLLOKOSA-N 1 0 317.433 2.233 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000161127630 402373875 /nfs/dbraw/zinc/37/38/75/402373875.db2.gz SZXQIXUCMATOJW-UHFFFAOYSA-N 1 0 312.417 2.334 20 70 DEIDRO C[C@@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@@H]1CCC[NH2+]C1 ZINC000161331403 402383379 /nfs/dbraw/zinc/38/33/79/402383379.db2.gz VUNTXZNRMULNQZ-GXTWGEPZSA-N 1 0 320.437 2.268 20 70 DEIDRO C[C@H](CNC(=O)N1CCc2cccc(F)c2C1)[N@H+](C)C1CC1 ZINC000159798132 402330796 /nfs/dbraw/zinc/33/07/96/402330796.db2.gz UPKKGHIFLZSGLM-GFCCVEGCSA-N 1 0 305.397 2.376 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCc3ccccc32)CC1 ZINC000159845548 402332085 /nfs/dbraw/zinc/33/20/85/402332085.db2.gz YCOIQCQWSGGEIY-INIZCTEOSA-N 1 0 301.434 2.454 20 70 DEIDRO Cc1sc2ncnc(SCCC(=O)NCCC[NH3+])c2c1C ZINC000160080470 402336391 /nfs/dbraw/zinc/33/63/91/402336391.db2.gz XKAAZNVFDJCYIH-UHFFFAOYSA-N 1 0 324.475 2.255 20 70 DEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnc2c(c1)ncn2C ZINC000160189622 402337516 /nfs/dbraw/zinc/33/75/16/402337516.db2.gz NMWQKFATDRNEDM-ZDUSSCGKSA-N 1 0 317.437 2.209 20 70 DEIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160213103 402338107 /nfs/dbraw/zinc/33/81/07/402338107.db2.gz SJMGDHMGUWFJHK-HUUCEWRRSA-N 1 0 322.424 2.282 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)o1 ZINC000160216574 267454404 /nfs/dbraw/zinc/45/44/04/267454404.db2.gz JWUKVAAOEQICOJ-DLBZAZTESA-N 1 0 320.433 2.394 20 70 DEIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160926657 279631471 /nfs/dbraw/zinc/63/14/71/279631471.db2.gz PKOSIUUKWKMVAN-XKQJLSEDSA-N 1 0 302.418 2.411 20 70 DEIDRO O=C(C[NH2+]C[C@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522364 295519945 /nfs/dbraw/zinc/51/99/45/295519945.db2.gz GSVZSUBUBXELJH-CQSZACIVSA-N 1 0 308.809 2.214 20 70 DEIDRO CC(C)([NH3+])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159768370 519294582 /nfs/dbraw/zinc/29/45/82/519294582.db2.gz OSMKOSNNNHHCGI-UHFFFAOYSA-N 1 0 316.361 2.202 20 70 DEIDRO CC(C)[C@@H](CNC(=O)[C@H](C)c1cccs1)[NH+]1CCN(C)CC1 ZINC000160054732 519794614 /nfs/dbraw/zinc/79/46/14/519794614.db2.gz POSXZRSBNUCNIR-HUUCEWRRSA-N 1 0 323.506 2.240 20 70 DEIDRO CCCNC(=O)c1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160564551 519903096 /nfs/dbraw/zinc/90/30/96/519903096.db2.gz RFNZBNDHBRBNBJ-PBHICJAKSA-N 1 0 303.450 2.399 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000159919650 521608240 /nfs/dbraw/zinc/60/82/40/521608240.db2.gz GZCYZKUYSULVFX-MRXNPFEDSA-N 1 0 319.449 2.500 20 70 DEIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000160160944 524088220 /nfs/dbraw/zinc/08/82/20/524088220.db2.gz QIAJXQNIVUOJDL-CQSZACIVSA-N 1 0 310.825 2.225 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160575752 525545154 /nfs/dbraw/zinc/54/51/54/525545154.db2.gz IEPWNAHLRQHTNQ-IUODEOHRSA-N 1 0 318.446 2.130 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NCc1ccccc1OCC1CC1 ZINC000160100408 525585485 /nfs/dbraw/zinc/58/54/85/525585485.db2.gz WAAWCVJXTNIZGP-AWEZNQCLSA-N 1 0 308.447 2.172 20 70 DEIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160408614 525698792 /nfs/dbraw/zinc/69/87/92/525698792.db2.gz NGRNAZIDIXHDJV-JSGCOSHPSA-N 1 0 306.435 2.032 20 70 DEIDRO O=C([C@H]1CCCCO1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000160378874 526535867 /nfs/dbraw/zinc/53/58/67/526535867.db2.gz MEHZQZAMWAUCKX-DLBZAZTESA-N 1 0 302.418 2.336 20 70 DEIDRO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)S(C)(=O)=O ZINC000159813931 539584365 /nfs/dbraw/zinc/58/43/65/539584365.db2.gz KRZVIGPRQVBTDI-UHFFFAOYSA-N 1 0 316.511 2.196 20 70 DEIDRO CC(C)Cn1ncc2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cnc21 ZINC000160764512 539587783 /nfs/dbraw/zinc/58/77/83/539587783.db2.gz JBFMCFYITGQMAW-GJZGRUSLSA-N 1 0 315.421 2.087 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C1 ZINC000160926506 539588383 /nfs/dbraw/zinc/58/83/83/539588383.db2.gz JUSVAQAPDQJZIE-ZJUUUORDSA-N 1 0 300.374 2.443 20 70 DEIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H](C)c1ccncc1 ZINC000161098202 539589034 /nfs/dbraw/zinc/58/90/34/539589034.db2.gz RSMYNRPMRNPZPC-GDBMZVCRSA-N 1 0 307.438 2.048 20 70 DEIDRO O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1C[NH2+]CCO1 ZINC000159603649 186130296 /nfs/dbraw/zinc/13/02/96/186130296.db2.gz BFZNEXWFSSQGQP-MRXNPFEDSA-N 1 0 304.390 2.073 20 70 DEIDRO CCCn1c(C)nnc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000159681604 186135221 /nfs/dbraw/zinc/13/52/21/186135221.db2.gz VQNFHHBEURCKGS-INIZCTEOSA-N 1 0 305.470 2.304 20 70 DEIDRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159698243 186136049 /nfs/dbraw/zinc/13/60/49/186136049.db2.gz PRBGQSCFKVXMGK-QRTARXTBSA-N 1 0 322.424 2.265 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000159702678 186136605 /nfs/dbraw/zinc/13/66/05/186136605.db2.gz LJNLNZBQWKRAKO-ZDUSSCGKSA-N 1 0 324.306 2.271 20 70 DEIDRO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H]1CC[NH2+]C1 ZINC000161394645 197492052 /nfs/dbraw/zinc/49/20/52/197492052.db2.gz NIRXIIXPZVCLCQ-JTQLQIEISA-N 1 0 322.821 2.330 20 70 DEIDRO OC[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000161434684 197494124 /nfs/dbraw/zinc/49/41/24/197494124.db2.gz OGWBVNMNFYYSQO-CQSZACIVSA-N 1 0 316.367 2.379 20 70 DEIDRO Cc1c(C(=O)NCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000160976215 197453710 /nfs/dbraw/zinc/45/37/10/197453710.db2.gz VTPNIEVQAWKDIB-UHFFFAOYSA-N 1 0 300.406 2.089 20 70 DEIDRO C[C@]1(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC[NH2+]C1 ZINC000160832774 197442748 /nfs/dbraw/zinc/44/27/48/197442748.db2.gz NBBOPQNUWMRWEH-OCCSQVGLSA-N 1 0 300.324 2.276 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000160704676 197433319 /nfs/dbraw/zinc/43/33/19/197433319.db2.gz QDGUZKRTPKSAQP-NNNHXZLVSA-N 1 0 314.307 2.419 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ccccc1Br ZINC000160338285 197401867 /nfs/dbraw/zinc/40/18/67/197401867.db2.gz ZQELRLRCZPPCFZ-LBPRGKRZSA-N 1 0 311.223 2.331 20 70 DEIDRO CCn1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1=O ZINC000160223425 197393819 /nfs/dbraw/zinc/39/38/19/197393819.db2.gz NKVKBQYCEMZABK-GOEBONIOSA-N 1 0 312.417 2.196 20 70 DEIDRO CCNC(=O)c1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000160178047 197391592 /nfs/dbraw/zinc/39/15/92/197391592.db2.gz NUVYIHCEZLWFOH-GRDNDAEWSA-N 1 0 303.450 2.255 20 70 DEIDRO CCc1ccc([C@@H](COC)NC(=O)N2CCC[N@@H+](CC)CC2)o1 ZINC000159906462 197372362 /nfs/dbraw/zinc/37/23/62/197372362.db2.gz FKKHQVZKGQBACL-OAHLLOKOSA-N 1 0 323.437 2.267 20 70 DEIDRO O=C(c1ccc(-n2cccn2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159775665 197363545 /nfs/dbraw/zinc/36/35/45/197363545.db2.gz FKSWWOUIVCOFAO-UHFFFAOYSA-N 1 0 324.428 2.477 20 70 DEIDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc2c(c1)OCCCO2 ZINC000159762614 197362975 /nfs/dbraw/zinc/36/29/75/197362975.db2.gz IQRXYSCZZZHSJH-CYBMUJFWSA-N 1 0 301.390 2.475 20 70 DEIDRO [NH3+]CCCCCCC(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000159466941 197356297 /nfs/dbraw/zinc/35/62/97/197356297.db2.gz INKCDZYFTVZYEL-UHFFFAOYSA-N 1 0 323.481 2.147 20 70 DEIDRO CCc1noc2ncc(C(=O)NCC3([NH3+])CCCCC3)cc12 ZINC000159473354 197355908 /nfs/dbraw/zinc/35/59/08/197355908.db2.gz WNUWTUBEDYGOJZ-UHFFFAOYSA-N 1 0 302.378 2.177 20 70 DEIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000159405714 284957913 /nfs/dbraw/zinc/95/79/13/284957913.db2.gz PJTCFPUVBVVAGK-HNNXBMFYSA-N 1 0 319.449 2.042 20 70 DEIDRO C[C@H](CCOc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159397544 402322849 /nfs/dbraw/zinc/32/28/49/402322849.db2.gz HXHAORCFDBROAU-OAGGEKHMSA-N 1 0 302.418 2.445 20 70 DEIDRO CCCn1c2ccccc2nc1CNC[C@H](O)C(F)(F)F ZINC000218208682 402294722 /nfs/dbraw/zinc/29/47/22/402294722.db2.gz ZHRPKPJPQFEAQN-LBPRGKRZSA-N 1 0 301.312 2.459 20 70 DEIDRO Cc1nc(CC[NH2+][C@H](C)c2nnnn2-c2ccccc2)cs1 ZINC000160271970 402340083 /nfs/dbraw/zinc/34/00/83/402340083.db2.gz NZWZUCXWDBBRNW-LLVKDONJSA-N 1 0 314.418 2.321 20 70 DEIDRO CC(C)c1nc(N[C@H]2CCO[C@H](C3CC3)C2)nc(N(C)C)n1 ZINC000160405970 402344281 /nfs/dbraw/zinc/34/42/81/402344281.db2.gz ADAMCZIAXUTTKK-STQMWFEESA-N 1 0 305.426 2.431 20 70 DEIDRO COc1cccc(CCCN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000160425638 402344748 /nfs/dbraw/zinc/34/47/48/402344748.db2.gz QNFVLYXWHXTFOG-UHFFFAOYSA-N 1 0 306.450 2.016 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@H]1CCOC1 ZINC000160436261 402345336 /nfs/dbraw/zinc/34/53/36/402345336.db2.gz POQXHSCCTREMGC-YJBOKZPZSA-N 1 0 304.434 2.033 20 70 DEIDRO CCOc1cccc2c1OCC(C(=O)NCC([NH3+])(CC)CC)=C2 ZINC000160494158 402348040 /nfs/dbraw/zinc/34/80/40/402348040.db2.gz LRSRAUHLQURWAW-UHFFFAOYSA-N 1 0 318.417 2.495 20 70 DEIDRO C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000160509899 402348710 /nfs/dbraw/zinc/34/87/10/402348710.db2.gz VCEVQHHKAHFECY-NILFDRSVSA-N 1 0 308.397 2.488 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000160541177 402349978 /nfs/dbraw/zinc/34/99/78/402349978.db2.gz NDBLQNNICLSAEI-VIFPVBQESA-N 1 0 304.724 2.375 20 70 DEIDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160691896 402357226 /nfs/dbraw/zinc/35/72/26/402357226.db2.gz HDNZEOJQIJEPJB-ROUUACIJSA-N 1 0 316.445 2.493 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000160691109 402357392 /nfs/dbraw/zinc/35/73/92/402357392.db2.gz SPLKHEFDRYXMTJ-HUUCEWRRSA-N 1 0 323.437 2.267 20 70 DEIDRO O=C(NCc1ccc(O)c(F)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160871321 402363540 /nfs/dbraw/zinc/36/35/40/402363540.db2.gz ZDKRDFHHQWCVNQ-CYBMUJFWSA-N 1 0 321.396 2.347 20 70 DEIDRO CC(=O)N(Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1)C1CC1 ZINC000160952453 402367238 /nfs/dbraw/zinc/36/72/38/402367238.db2.gz XGWJKICMITWETR-UHFFFAOYSA-N 1 0 315.417 2.136 20 70 DEIDRO CC[C@H](O)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160967220 402367823 /nfs/dbraw/zinc/36/78/23/402367823.db2.gz ZEBFATHQBFHFOW-KRWDZBQOSA-N 1 0 319.449 2.243 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000161020518 402369238 /nfs/dbraw/zinc/36/92/38/402369238.db2.gz CEXUJXHOFNXWFT-UHFFFAOYSA-N 1 0 313.423 2.388 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)CCn2cnc3ccccc32)CC1 ZINC000161035603 402370521 /nfs/dbraw/zinc/37/05/21/402370521.db2.gz JDVVHGXKDPHBSB-UHFFFAOYSA-N 1 0 314.433 2.275 20 70 DEIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1(C(N)=O)CCCC1 ZINC000161051105 402370864 /nfs/dbraw/zinc/37/08/64/402370864.db2.gz HAHGXIGCPVZBCJ-UHFFFAOYSA-N 1 0 323.481 2.001 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1 ZINC000161104627 402372701 /nfs/dbraw/zinc/37/27/01/402372701.db2.gz WCHWWTGKRUJTEL-UHFFFAOYSA-N 1 0 312.845 2.001 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000161197947 402377157 /nfs/dbraw/zinc/37/71/57/402377157.db2.gz RJDQXRGCOKUTDG-UHFFFAOYSA-N 1 0 305.422 2.069 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000161246438 402378734 /nfs/dbraw/zinc/37/87/34/402378734.db2.gz GOXCMJWDYHNADG-UKRRQHHQSA-N 1 0 317.433 2.062 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000161239581 402378903 /nfs/dbraw/zinc/37/89/03/402378903.db2.gz GXLOAYNGTOTSFZ-UHFFFAOYSA-N 1 0 309.385 2.231 20 70 DEIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000161334686 402383555 /nfs/dbraw/zinc/38/35/55/402383555.db2.gz LQPNOFIRZPXPFX-LLVKDONJSA-N 1 0 324.856 2.411 20 70 DEIDRO C[C@H](C(=O)N1CCOC[C@H]1C1CC1)N1CCc2ccccc2C1 ZINC000161348761 402384268 /nfs/dbraw/zinc/38/42/68/402384268.db2.gz WEQITICULFDZIA-KDOFPFPSSA-N 1 0 314.429 2.071 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)C(=O)OC ZINC000159670235 402328129 /nfs/dbraw/zinc/32/81/29/402328129.db2.gz OXRHEWQEQDJENG-KGLIPLIRSA-N 1 0 312.454 2.250 20 70 DEIDRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000159808583 402330857 /nfs/dbraw/zinc/33/08/57/402330857.db2.gz ISTRAKACSDOADQ-QGZVFWFLSA-N 1 0 317.477 2.242 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000159895918 402332715 /nfs/dbraw/zinc/33/27/15/402332715.db2.gz DSOOMNQHRHQJAB-KRWDZBQOSA-N 1 0 319.449 2.237 20 70 DEIDRO Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1C ZINC000159932387 402333604 /nfs/dbraw/zinc/33/36/04/402333604.db2.gz VBXRDOVFEMQJEU-OAHLLOKOSA-N 1 0 310.463 2.278 20 70 DEIDRO O=C(c1ccc(F)cc1OC(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159925856 402333756 /nfs/dbraw/zinc/33/37/56/402333756.db2.gz UMOWVMZASLCXSX-PHIMTYICSA-N 1 0 314.307 2.394 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCc2sccc21 ZINC000160029145 402335605 /nfs/dbraw/zinc/33/56/05/402335605.db2.gz SNLIXYIGTQDCLE-UKRRQHHQSA-N 1 0 322.474 2.131 20 70 DEIDRO Cc1n[nH]cc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160114387 402336409 /nfs/dbraw/zinc/33/64/09/402336409.db2.gz KWCJHAOBMXSRQJ-UHFFFAOYSA-N 1 0 301.394 2.198 20 70 DEIDRO Cc1c(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cnn1C ZINC000160267694 402339067 /nfs/dbraw/zinc/33/90/67/402339067.db2.gz VGIAGHLVJYOCKM-CQSZACIVSA-N 1 0 321.469 2.182 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000160457425 274854186 /nfs/dbraw/zinc/85/41/86/274854186.db2.gz VPZIFJBJTQKFNU-MRXNPFEDSA-N 1 0 311.433 2.160 20 70 DEIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCCCO2)CC1 ZINC000160703238 277027170 /nfs/dbraw/zinc/02/71/70/277027170.db2.gz BITFFJVDOYHCHE-INIZCTEOSA-N 1 0 306.406 2.272 20 70 DEIDRO CC(C)CCS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160162679 277358894 /nfs/dbraw/zinc/35/88/94/277358894.db2.gz JMSPWOJEENKEBL-HNNXBMFYSA-N 1 0 302.484 2.313 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022491 278131330 /nfs/dbraw/zinc/13/13/30/278131330.db2.gz XNBMUAPFLJNRMQ-XXILOJSOSA-N 1 0 300.374 2.017 20 70 DEIDRO CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000161370852 521563209 /nfs/dbraw/zinc/56/32/09/521563209.db2.gz JDIPYSDBCGFCKW-HNNXBMFYSA-N 1 0 320.433 2.455 20 70 DEIDRO COCCCOc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159842259 523417822 /nfs/dbraw/zinc/41/78/22/523417822.db2.gz SVFZQKVULIIEQY-UHFFFAOYSA-N 1 0 320.433 2.189 20 70 DEIDRO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)CCn1cccn1 ZINC000159480949 526970773 /nfs/dbraw/zinc/97/07/73/526970773.db2.gz OZEHPSZDPLQFFM-CQSZACIVSA-N 1 0 315.421 2.314 20 70 DEIDRO [NH3+]C1(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCCCC1 ZINC000159514691 527131112 /nfs/dbraw/zinc/13/11/12/527131112.db2.gz GBMFQWIPVYWRKM-ZDUSSCGKSA-N 1 0 319.380 2.029 20 70 DEIDRO C[NH+](C)CCN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CCCC1 ZINC000160442470 535842366 /nfs/dbraw/zinc/84/23/66/535842366.db2.gz ABUXOTDJQOCOBV-NVXWUHKLSA-N 1 0 323.481 2.460 20 70 DEIDRO COc1cc(C)cc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000159799901 539584117 /nfs/dbraw/zinc/58/41/17/539584117.db2.gz CRRUVKWFIAGBBW-CQSZACIVSA-N 1 0 305.422 2.145 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000160763505 539587817 /nfs/dbraw/zinc/58/78/17/539587817.db2.gz WSCLWIAYFSAXGA-QWRGUYRKSA-N 1 0 302.403 2.205 20 70 DEIDRO CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161172808 539589008 /nfs/dbraw/zinc/58/90/08/539589008.db2.gz MFCKIPSQAYTQSA-CVEARBPZSA-N 1 0 318.417 2.434 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000161172724 539589080 /nfs/dbraw/zinc/58/90/80/539589080.db2.gz KOEKTEPMTGEUKW-UHFFFAOYSA-N 1 0 310.401 2.179 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160000281 539584816 /nfs/dbraw/zinc/58/48/16/539584816.db2.gz MAVRBKFYVHEHGF-SUNKGSAMSA-N 1 0 320.437 2.319 20 70 DEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159597088 186129867 /nfs/dbraw/zinc/12/98/67/186129867.db2.gz BNACSXSNQRFQDJ-WCQYABFASA-N 1 0 314.476 2.141 20 70 DEIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159648437 186132966 /nfs/dbraw/zinc/13/29/66/186132966.db2.gz MDLCDSVYQOAOSN-YPMHNXCESA-N 1 0 314.476 2.141 20 70 DEIDRO OCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CCCC1 ZINC000160145734 355963882 /nfs/dbraw/zinc/96/38/82/355963882.db2.gz OGASQGDNOBIDML-CQSZACIVSA-N 1 0 313.825 2.222 20 70 DEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000160741882 355966344 /nfs/dbraw/zinc/96/63/44/355966344.db2.gz HGOCJZAOKDJCHB-HOCLYGCPSA-N 1 0 302.422 2.346 20 70 DEIDRO C[C@@H](O)[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160935144 355967946 /nfs/dbraw/zinc/96/79/46/355967946.db2.gz BNNNFNSHQSEKAQ-ZBFHGGJFSA-N 1 0 310.482 2.364 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1c[nH]nc1-c1ccccc1F ZINC000160502665 197417408 /nfs/dbraw/zinc/41/74/08/197417408.db2.gz TZTKVBXIUAKPIR-UHFFFAOYSA-N 1 0 304.369 2.463 20 70 DEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000160225481 197393967 /nfs/dbraw/zinc/39/39/67/197393967.db2.gz MXVHKLSKNFDVLP-HUUCEWRRSA-N 1 0 306.454 2.072 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000160192803 197392063 /nfs/dbraw/zinc/39/20/63/197392063.db2.gz JPACYDICILFCNC-YUSALJHKSA-N 1 0 314.307 2.248 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc(F)ccc2o1 ZINC000160058911 197382408 /nfs/dbraw/zinc/38/24/08/197382408.db2.gz WUBVBYJRGDEASY-CQSZACIVSA-N 1 0 320.364 2.149 20 70 DEIDRO C[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159852929 197369013 /nfs/dbraw/zinc/36/90/13/197369013.db2.gz GFMAEMFFJAGFBX-LBPRGKRZSA-N 1 0 324.446 2.220 20 70 DEIDRO O=C(NCCC[NH2+]C1CCCCC1)NCCc1cscn1 ZINC000159570122 291656159 /nfs/dbraw/zinc/65/61/59/291656159.db2.gz NMFIYQNMHRVRPD-UHFFFAOYSA-N 1 0 310.467 2.297 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000161259846 291673864 /nfs/dbraw/zinc/67/38/64/291673864.db2.gz QRYJXPNEIIMONM-ZBFHGGJFSA-N 1 0 306.450 2.422 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159498697 197357767 /nfs/dbraw/zinc/35/77/67/197357767.db2.gz QDDRLUSINMJODP-AWEZNQCLSA-N 1 0 323.462 2.152 20 70 DEIDRO [NH3+]C1(CNC(=O)c2ccc3c(c2)NC(=O)CS3)CCCCC1 ZINC000159458887 197355293 /nfs/dbraw/zinc/35/52/93/197355293.db2.gz WARLEIMTTWCCKF-UHFFFAOYSA-N 1 0 319.430 2.122 20 70 DEIDRO Cc1ccc(N2CC[C@H](N3CC[NH+](CC4CC4)CC3)C2=O)cc1 ZINC000159406314 197351321 /nfs/dbraw/zinc/35/13/21/197351321.db2.gz RJJQMKSWYCADIY-SFHVURJKSA-N 1 0 313.445 2.128 20 70 DEIDRO COC1(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)CC[NH2+]CC1 ZINC000159894433 292091231 /nfs/dbraw/zinc/09/12/31/292091231.db2.gz PFFWSHTVMQZHTD-CVEARBPZSA-N 1 0 316.445 2.468 20 70 DEIDRO CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](CCC)CC1 ZINC000160368542 402342545 /nfs/dbraw/zinc/34/25/45/402342545.db2.gz PCHFQDLQJNYKFX-INIZCTEOSA-N 1 0 323.481 2.112 20 70 DEIDRO CC(C)(C)c1nsc(N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000160407592 402343998 /nfs/dbraw/zinc/34/39/98/402343998.db2.gz ORZZDATUSRIQEH-GFCCVEGCSA-N 1 0 310.467 2.137 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000160497545 402348423 /nfs/dbraw/zinc/34/84/23/402348423.db2.gz ZVTKDFHLZXWPOI-LLVKDONJSA-N 1 0 312.845 2.098 20 70 DEIDRO COC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000160506834 402348609 /nfs/dbraw/zinc/34/86/09/402348609.db2.gz VQVOQWSKIGGAOT-SFHVURJKSA-N 1 0 304.434 2.033 20 70 DEIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160519619 402349401 /nfs/dbraw/zinc/34/94/01/402349401.db2.gz FCMRPRYIUAIWDK-WCQYABFASA-N 1 0 316.405 2.269 20 70 DEIDRO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160543865 402350845 /nfs/dbraw/zinc/35/08/45/402350845.db2.gz HRIXHTISQOQIPZ-DLBZAZTESA-N 1 0 323.481 2.317 20 70 DEIDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160569168 402351367 /nfs/dbraw/zinc/35/13/67/402351367.db2.gz CQGKEORPCKCSSS-HOTGVXAUSA-N 1 0 309.454 2.070 20 70 DEIDRO CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160642042 402355067 /nfs/dbraw/zinc/35/50/67/402355067.db2.gz IIQZGCUIPGNGER-BMFZPTHFSA-N 1 0 316.401 2.009 20 70 DEIDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160808667 402361195 /nfs/dbraw/zinc/36/11/95/402361195.db2.gz BCSYJNQOUKBBGR-UHFFFAOYSA-N 1 0 319.331 2.005 20 70 DEIDRO C[NH+](C)Cc1ccnc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000160875088 402363410 /nfs/dbraw/zinc/36/34/10/402363410.db2.gz MQENFHXUCMOCTQ-GFCCVEGCSA-N 1 0 311.476 2.320 20 70 DEIDRO CC[C@@](C)(CCO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160928810 402366084 /nfs/dbraw/zinc/36/60/84/402366084.db2.gz KEOZRMVDOOUHCX-WBVHZDCISA-N 1 0 313.486 2.347 20 70 DEIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000160969490 402367895 /nfs/dbraw/zinc/36/78/95/402367895.db2.gz COPOZXKZGKTRCX-UHFFFAOYSA-N 1 0 306.454 2.298 20 70 DEIDRO O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161452258 402388296 /nfs/dbraw/zinc/38/82/96/402388296.db2.gz CGCSLDPKYFIRKO-CABCVRRESA-N 1 0 318.392 2.247 20 70 DEIDRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161452396 402388362 /nfs/dbraw/zinc/38/83/62/402388362.db2.gz CGCSLDPKYFIRKO-LSDHHAIUSA-N 1 0 318.392 2.247 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000161200117 402376861 /nfs/dbraw/zinc/37/68/61/402376861.db2.gz JFKOTITYVSOQCG-AWEZNQCLSA-N 1 0 308.447 2.315 20 70 DEIDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1 ZINC000161317527 402381947 /nfs/dbraw/zinc/38/19/47/402381947.db2.gz RRVCQVMBRPOXFP-SFHVURJKSA-N 1 0 312.413 2.488 20 70 DEIDRO CC(C)CNC(=O)[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000159663892 402327853 /nfs/dbraw/zinc/32/78/53/402327853.db2.gz GPALLVHADADFGO-HNAYVOBHSA-N 1 0 316.445 2.321 20 70 DEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000161399919 402386502 /nfs/dbraw/zinc/38/65/02/402386502.db2.gz DQBYRVJAQMRWJR-ZBFHGGJFSA-N 1 0 304.434 2.347 20 70 DEIDRO C[C@@H](O)C[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1C ZINC000159909898 402333547 /nfs/dbraw/zinc/33/35/47/402333547.db2.gz OFJIYNOLNYMWEB-ZIAGYGMSSA-N 1 0 322.453 2.004 20 70 DEIDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000160510021 296858617 /nfs/dbraw/zinc/85/86/17/296858617.db2.gz VCEVQHHKAHFECY-BYCMXARLSA-N 1 0 308.397 2.488 20 70 DEIDRO COC1(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC[NH2+]CC1 ZINC000159805348 277179996 /nfs/dbraw/zinc/17/99/96/277179996.db2.gz PZNILBWFDLAENB-UKRRQHHQSA-N 1 0 320.408 2.299 20 70 DEIDRO CC1(C)CCC(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000160709068 278193672 /nfs/dbraw/zinc/19/36/72/278193672.db2.gz XCFROOAKFJPNFP-OAHLLOKOSA-N 1 0 308.466 2.384 20 70 DEIDRO CC(C)[C@H](C(=O)NCC[NH2+]C1CCCCCC1)N1CCCC1=O ZINC000159704834 280171160 /nfs/dbraw/zinc/17/11/60/280171160.db2.gz WAMAMQMRCOOCKN-QGZVFWFLSA-N 1 0 323.481 2.062 20 70 DEIDRO C[C@H](c1ccccc1F)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364860 290265152 /nfs/dbraw/zinc/26/51/52/290265152.db2.gz MOKTWHRIDXRAAF-CXAGYDPISA-N 1 0 319.424 2.301 20 70 DEIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CC3CC3)nc(N)c21 ZINC000160621036 521401807 /nfs/dbraw/zinc/40/18/07/521401807.db2.gz JIUAEXMWSKXYRY-UHFFFAOYSA-N 1 0 318.377 2.132 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000161187690 522050599 /nfs/dbraw/zinc/05/05/99/522050599.db2.gz OXVBTUKESIOBSX-RDJZCZTQSA-N 1 0 318.417 2.068 20 70 DEIDRO COc1cccc(CCC[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000159726754 525884365 /nfs/dbraw/zinc/88/43/65/525884365.db2.gz XUIBFNGFCRHNFJ-KRWDZBQOSA-N 1 0 304.434 2.476 20 70 DEIDRO CCOCCC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000160695628 539587170 /nfs/dbraw/zinc/58/71/70/539587170.db2.gz ZBVZHKUPOVBWJA-UHFFFAOYSA-N 1 0 317.433 2.327 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2nc(-c3cccs3)no2)C1 ZINC000160899006 539588570 /nfs/dbraw/zinc/58/85/70/539588570.db2.gz HCHWDCKBKPXSOV-MNOVXSKESA-N 1 0 320.418 2.117 20 70 DEIDRO C[N@H+](CCCCS(C)(=O)=O)CCOc1ccc(Cl)cc1 ZINC000161180718 539590198 /nfs/dbraw/zinc/59/01/98/539590198.db2.gz DHKPDPSUULSTCB-UHFFFAOYSA-N 1 0 319.854 2.475 20 70 DEIDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cn1 ZINC000161464219 539591893 /nfs/dbraw/zinc/59/18/93/539591893.db2.gz UXDPRQBQICBSOY-UHFFFAOYSA-N 1 0 313.405 2.381 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159590113 186129495 /nfs/dbraw/zinc/12/94/95/186129495.db2.gz XHMMIPSDVIABRM-JSGCOSHPSA-N 1 0 318.446 2.130 20 70 DEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159666675 186134307 /nfs/dbraw/zinc/13/43/07/186134307.db2.gz GDNDWSDXFIWWLD-INMHGKMJSA-N 1 0 304.434 2.204 20 70 DEIDRO C[C@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000159697916 186136542 /nfs/dbraw/zinc/13/65/42/186136542.db2.gz DFRJFTKQMFHPHK-MNOVXSKESA-N 1 0 318.343 2.410 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000159811573 355962936 /nfs/dbraw/zinc/96/29/36/355962936.db2.gz GDMARFMKIKQASY-LBPRGKRZSA-N 1 0 310.442 2.254 20 70 DEIDRO C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccsc1 ZINC000160143646 355963888 /nfs/dbraw/zinc/96/38/88/355963888.db2.gz SMCDAOWKDQEZGB-CQSZACIVSA-N 1 0 323.506 2.241 20 70 DEIDRO CCCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160730977 355966132 /nfs/dbraw/zinc/96/61/32/355966132.db2.gz IXRWHUNSYWORGQ-SJORKVTESA-N 1 0 323.481 2.461 20 70 DEIDRO CCOC(=O)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000161243231 355967923 /nfs/dbraw/zinc/96/79/23/355967923.db2.gz CVXNNDQDYFBBMD-UHFFFAOYSA-N 1 0 318.417 2.306 20 70 DEIDRO C[C@@H]([NH3+])C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000161211252 197475368 /nfs/dbraw/zinc/47/53/68/197475368.db2.gz IGBAPJXQQREFDR-LLVKDONJSA-N 1 0 317.414 2.306 20 70 DEIDRO CCCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160973867 197453921 /nfs/dbraw/zinc/45/39/21/197453921.db2.gz UMMGPWHRWDWGNN-UHFFFAOYSA-N 1 0 302.484 2.359 20 70 DEIDRO CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160574390 197422866 /nfs/dbraw/zinc/42/28/66/197422866.db2.gz LINQQOMLKLWEIF-HNNXBMFYSA-N 1 0 320.433 2.201 20 70 DEIDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1OCC(C)C ZINC000160229155 197393729 /nfs/dbraw/zinc/39/37/29/197393729.db2.gz AFUYEOHNZWYPHP-CQSZACIVSA-N 1 0 306.406 2.293 20 70 DEIDRO C[C@@H]1C[C@@H](NC(=O)N2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000159845860 197368147 /nfs/dbraw/zinc/36/81/47/197368147.db2.gz XRYTVXDQYGRAOD-GDBMZVCRSA-N 1 0 319.474 2.408 20 70 DEIDRO COCCC1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000159633696 291656709 /nfs/dbraw/zinc/65/67/09/291656709.db2.gz VNTSHFHDFUTCGQ-KRWDZBQOSA-N 1 0 318.461 2.482 20 70 DEIDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncn1 ZINC000161303582 291673957 /nfs/dbraw/zinc/67/39/57/291673957.db2.gz MLRCHRIRFHVEAK-KRWDZBQOSA-N 1 0 310.401 2.352 20 70 DEIDRO C[C@@H]1C[NH+](CCCNC(=O)N2CCC3(CCC3)C2)C[C@@H](C)O1 ZINC000159808682 197365059 /nfs/dbraw/zinc/36/50/59/197365059.db2.gz WWMIPMJAXBPDTI-HUUCEWRRSA-N 1 0 309.454 2.071 20 70 DEIDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159794132 197364823 /nfs/dbraw/zinc/36/48/23/197364823.db2.gz HMRAXRZZLRNVJN-PGUXBMHVSA-N 1 0 312.360 2.385 20 70 DEIDRO Cc1nc(COc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)no1 ZINC000159474295 197356008 /nfs/dbraw/zinc/35/60/08/197356008.db2.gz FIHUFHUHZJXFAA-CQSZACIVSA-N 1 0 316.361 2.038 20 70 DEIDRO [NH3+]C1CCC(NC(=O)Cc2ccccc2Br)CC1 ZINC000217268326 132550185 /nfs/dbraw/zinc/55/01/85/132550185.db2.gz GYZHYHPRSZPOPW-UHFFFAOYSA-N 1 0 311.223 2.378 20 70 DEIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160326677 402340835 /nfs/dbraw/zinc/34/08/35/402340835.db2.gz BWEPIEKYYFBSEE-WCQYABFASA-N 1 0 316.405 2.269 20 70 DEIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@](C)(O)C1 ZINC000160356368 402341910 /nfs/dbraw/zinc/34/19/10/402341910.db2.gz VJPNCRIJFRRYHQ-NVXWUHKLSA-N 1 0 311.470 2.197 20 70 DEIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1C ZINC000160453361 402346309 /nfs/dbraw/zinc/34/63/09/402346309.db2.gz SDOCUGAJTWBLQI-ZDUSSCGKSA-N 1 0 323.437 2.124 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2ccsc2n1 ZINC000160510683 402348472 /nfs/dbraw/zinc/34/84/72/402348472.db2.gz GJESFWUSWYZISW-CQSZACIVSA-N 1 0 320.462 2.175 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1cnc(-c2ccccn2)s1 ZINC000160515527 402348594 /nfs/dbraw/zinc/34/85/94/402348594.db2.gz ZAHGMXCMDLFDBI-UHFFFAOYSA-N 1 0 304.419 2.452 20 70 DEIDRO CCO[C@H]1C[C@H](N(C)C(=O)NCC[NH+](CC)CC)C12CCC2 ZINC000160636580 402354954 /nfs/dbraw/zinc/35/49/54/402354954.db2.gz SZZCGOCEKNZIGS-GJZGRUSLSA-N 1 0 311.470 2.317 20 70 DEIDRO CSc1ccc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160665793 402356093 /nfs/dbraw/zinc/35/60/93/402356093.db2.gz COCSOXQWNKXUGP-CQSZACIVSA-N 1 0 322.474 2.294 20 70 DEIDRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160832352 402362663 /nfs/dbraw/zinc/36/26/63/402362663.db2.gz ODARJPPBAONTGS-RDJZCZTQSA-N 1 0 322.424 2.343 20 70 DEIDRO CCC(CC)[C@H](CNC(=O)NCC[C@@H](O)CC)[NH+]1CCCC1 ZINC000160902786 402364657 /nfs/dbraw/zinc/36/46/57/402364657.db2.gz XLZMKLPCYVAAOA-HOTGVXAUSA-N 1 0 313.486 2.347 20 70 DEIDRO COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccncc1C ZINC000160919267 402365180 /nfs/dbraw/zinc/36/51/80/402365180.db2.gz FGSQLEDKMNIZJX-UHFFFAOYSA-N 1 0 324.333 2.117 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2cncn2-c2ccccc2)CC1 ZINC000161136886 402374557 /nfs/dbraw/zinc/37/45/57/402374557.db2.gz XDJQBBHGVIRPAM-UHFFFAOYSA-N 1 0 312.417 2.334 20 70 DEIDRO Cc1cc(C[C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)[nH]n1 ZINC000161139445 402374862 /nfs/dbraw/zinc/37/48/62/402374862.db2.gz SFOFZGQJXQUBHT-GFCCVEGCSA-N 1 0 300.406 2.141 20 70 DEIDRO CCc1ncc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cn1 ZINC000161179989 402376745 /nfs/dbraw/zinc/37/67/45/402376745.db2.gz QRZIKUNFDXGUHO-UHFFFAOYSA-N 1 0 305.426 2.281 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000161290527 402380963 /nfs/dbraw/zinc/38/09/63/402380963.db2.gz YUQFSOUTHXBUSJ-AWEZNQCLSA-N 1 0 306.454 2.466 20 70 DEIDRO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCn2ccnc2C1 ZINC000161343374 402384191 /nfs/dbraw/zinc/38/41/91/402384191.db2.gz LZXVEWPTSGZSDY-HNNXBMFYSA-N 1 0 306.454 2.074 20 70 DEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(CCOCC)CC2)C1 ZINC000159763823 402330261 /nfs/dbraw/zinc/33/02/61/402330261.db2.gz APJJCFXYLMZDCH-OAHLLOKOSA-N 1 0 311.470 2.224 20 70 DEIDRO CCCC[N@H+](C)CCNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159836928 402331701 /nfs/dbraw/zinc/33/17/01/402331701.db2.gz GUEULERFOHTUDB-LBPRGKRZSA-N 1 0 310.442 2.426 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000159998495 402335251 /nfs/dbraw/zinc/33/52/51/402335251.db2.gz PZFPFOUZSMZDRP-KBPBESRZSA-N 1 0 309.454 2.118 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160239082 402338764 /nfs/dbraw/zinc/33/87/64/402338764.db2.gz RXYDUACLIJLSBJ-WBVHZDCISA-N 1 0 323.481 2.460 20 70 DEIDRO CC(C)c1noc(-c2ccccc2C(=O)N2CC[C@@H]([NH3+])C2)n1 ZINC000160254068 402339082 /nfs/dbraw/zinc/33/90/82/402339082.db2.gz CWVJETIQQMSSJQ-LLVKDONJSA-N 1 0 300.362 2.033 20 70 DEIDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161499365 402389752 /nfs/dbraw/zinc/38/97/52/402389752.db2.gz HEJDMOLAJDWOAT-FZMZJTMJSA-N 1 0 322.371 2.023 20 70 DEIDRO COCCC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000161119203 292302332 /nfs/dbraw/zinc/30/23/32/292302332.db2.gz OBUXQKFKAHRSER-INIZCTEOSA-N 1 0 323.481 2.463 20 70 DEIDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000161209802 280984572 /nfs/dbraw/zinc/98/45/72/280984572.db2.gz UFZQLECTXLYODU-WMZOPIPTSA-N 1 0 319.449 2.154 20 70 DEIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000161334566 519881954 /nfs/dbraw/zinc/88/19/54/519881954.db2.gz LQPNOFIRZPXPFX-NSHDSACASA-N 1 0 324.856 2.411 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cccc(OC)c1)C(=O)OC ZINC000159650656 521439831 /nfs/dbraw/zinc/43/98/31/521439831.db2.gz NIJIGCWABOOUSM-UHFFFAOYSA-N 1 0 322.405 2.203 20 70 DEIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)c2cccs2)CC1 ZINC000160118082 521685318 /nfs/dbraw/zinc/68/53/18/521685318.db2.gz JQOJHJIMJQQRFK-GJZGRUSLSA-N 1 0 323.506 2.241 20 70 DEIDRO CC[C@@H](C)c1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)on1 ZINC000159426694 522419131 /nfs/dbraw/zinc/41/91/31/522419131.db2.gz UEDRGUWVYSVBPO-MGPQQGTHSA-N 1 0 323.437 2.417 20 70 DEIDRO COC1(C(=O)NC[C@H](C)Sc2ccccc2)CC[NH2+]CC1 ZINC000161119397 522550842 /nfs/dbraw/zinc/55/08/42/522550842.db2.gz GQFIOSGAXKNNAG-ZDUSSCGKSA-N 1 0 308.447 2.052 20 70 DEIDRO CC[C@H](O)CCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000160827103 522795964 /nfs/dbraw/zinc/79/59/64/522795964.db2.gz WXPPSKLXVGQISJ-KRWDZBQOSA-N 1 0 321.465 2.489 20 70 DEIDRO Cc1cc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)on1 ZINC000161313711 524724854 /nfs/dbraw/zinc/72/48/54/524724854.db2.gz QXIJOGOSFFBSTD-UHFFFAOYSA-N 1 0 308.426 2.246 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160399499 525543723 /nfs/dbraw/zinc/54/37/23/525543723.db2.gz SUMQOSOTYDSKIT-DZGCQCFKSA-N 1 0 310.438 2.297 20 70 DEIDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(C)n1 ZINC000161190519 527307115 /nfs/dbraw/zinc/30/71/15/527307115.db2.gz STCDLFNHRWUVJJ-OCCSQVGLSA-N 1 0 312.417 2.449 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000160763620 539587810 /nfs/dbraw/zinc/58/78/10/539587810.db2.gz WSCLWIAYFSAXGA-GHMZBOCLSA-N 1 0 302.403 2.205 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160885765 539588304 /nfs/dbraw/zinc/58/83/04/539588304.db2.gz FHTFQZYSENXADD-KBPBESRZSA-N 1 0 304.390 2.044 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C1 ZINC000160926244 539588416 /nfs/dbraw/zinc/58/84/16/539588416.db2.gz JUSVAQAPDQJZIE-UWVGGRQHSA-N 1 0 300.374 2.443 20 70 DEIDRO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161114487 539589485 /nfs/dbraw/zinc/58/94/85/539589485.db2.gz QYYZYUVKEOKCMV-DZGCQCFKSA-N 1 0 303.406 2.281 20 70 DEIDRO CC(C)N(C(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000161388860 539591404 /nfs/dbraw/zinc/59/14/04/539591404.db2.gz UGAGQYSLTMSZCO-MRXNPFEDSA-N 1 0 318.465 2.238 20 70 DEIDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)cc(F)cc1C ZINC000217910142 539727187 /nfs/dbraw/zinc/72/71/87/539727187.db2.gz SAGHIBXLPGPETJ-ZDUSSCGKSA-N 1 0 316.442 2.451 20 70 DEIDRO Cc1ccc(N2CC[C@H]([N@H+](C)C[C@@H]3CCC[C@@H]3O)C2=O)cc1 ZINC000159588793 186129262 /nfs/dbraw/zinc/12/92/62/186129262.db2.gz CWIJMQSHMAWKOZ-XIRDDKMYSA-N 1 0 302.418 2.193 20 70 DEIDRO C[S@](=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159649834 355962122 /nfs/dbraw/zinc/96/21/22/355962122.db2.gz GXSOZDYJUMBCKE-KGWSRGFLSA-N 1 0 305.443 2.471 20 70 DEIDRO C[C@H](CNC(=O)NCc1ccccc1CO)C[NH+]1CCCCC1 ZINC000161117394 355967669 /nfs/dbraw/zinc/96/76/69/355967669.db2.gz SZQSUNAKFPMTGI-OAHLLOKOSA-N 1 0 319.449 2.100 20 70 DEIDRO CC1CC[NH+](CCCNC(=O)NCc2ccccc2CO)CC1 ZINC000161121877 355967929 /nfs/dbraw/zinc/96/79/29/355967929.db2.gz VPEWTMJWTZPKLJ-UHFFFAOYSA-N 1 0 319.449 2.100 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000160813439 197440809 /nfs/dbraw/zinc/44/08/09/197440809.db2.gz QBICGCMEIXBWAU-ONGXEEELSA-N 1 0 300.761 2.067 20 70 DEIDRO CCc1sc(C(=O)NCC2CC[NH+](CCO)CC2)cc1C ZINC000160595272 197424894 /nfs/dbraw/zinc/42/48/94/197424894.db2.gz ABHKQGINIJVNRT-UHFFFAOYSA-N 1 0 310.463 2.053 20 70 DEIDRO C[C@@H](NC(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000160004698 197379544 /nfs/dbraw/zinc/37/95/44/197379544.db2.gz HDHANFSBDZHNLU-ABAIWWIYSA-N 1 0 309.841 2.186 20 70 DEIDRO CC(C)(CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000159914329 197372933 /nfs/dbraw/zinc/37/29/33/197372933.db2.gz IOKISIBPHXHBAN-QGZVFWFLSA-N 1 0 318.461 2.317 20 70 DEIDRO CCc1ccc([C@H](COC)NC(=O)N2CCC[N@@H+](CC)CC2)o1 ZINC000159906586 197372329 /nfs/dbraw/zinc/37/23/29/197372329.db2.gz FKKHQVZKGQBACL-HNNXBMFYSA-N 1 0 323.437 2.267 20 70 DEIDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)C[NH3+])cc1 ZINC000161031839 291671777 /nfs/dbraw/zinc/67/17/77/291671777.db2.gz INTMBSAGGQUKPK-HOTGVXAUSA-N 1 0 306.406 2.240 20 70 DEIDRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ncn1 ZINC000161303705 291673966 /nfs/dbraw/zinc/67/39/66/291673966.db2.gz MLRCHRIRFHVEAK-QGZVFWFLSA-N 1 0 310.401 2.352 20 70 DEIDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159464050 197356176 /nfs/dbraw/zinc/35/61/76/197356176.db2.gz BHGVRBXYMPQYEX-CVEARBPZSA-N 1 0 313.486 2.419 20 70 DEIDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159424365 197352510 /nfs/dbraw/zinc/35/25/10/197352510.db2.gz UAFLDJPJFYVHSC-VHSXEESVSA-N 1 0 302.296 2.395 20 70 DEIDRO O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000159381464 197350112 /nfs/dbraw/zinc/35/01/12/197350112.db2.gz FNKVBWCCVAMMLX-TZMCWYRMSA-N 1 0 322.380 2.322 20 70 DEIDRO CN1CCc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc21 ZINC000159452394 402324031 /nfs/dbraw/zinc/32/40/31/402324031.db2.gz NMNZWTXEEDPHOS-IAGOWNOFSA-N 1 0 313.445 2.235 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC000217222249 402291136 /nfs/dbraw/zinc/29/11/36/402291136.db2.gz PPIGOGLGRXBDMD-AWEZNQCLSA-N 1 0 305.422 2.475 20 70 DEIDRO CC(=O)Nc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000218084154 402294316 /nfs/dbraw/zinc/29/43/16/402294316.db2.gz PJSMMQOUMXFPQJ-UHFFFAOYSA-N 1 0 307.394 2.259 20 70 DEIDRO COc1ccc(C(F)(F)C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000160335692 402341804 /nfs/dbraw/zinc/34/18/04/402341804.db2.gz KVBCWGNITYYGDV-UHFFFAOYSA-N 1 0 314.376 2.491 20 70 DEIDRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000160368800 402342912 /nfs/dbraw/zinc/34/29/12/402342912.db2.gz QEZXXZITTYDSLS-LBPRGKRZSA-N 1 0 323.824 2.322 20 70 DEIDRO CCO[C@@H](C)c1nc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000160389901 402343688 /nfs/dbraw/zinc/34/36/88/402343688.db2.gz XGSXJAPYISDOHR-RWMBFGLXSA-N 1 0 323.462 2.136 20 70 DEIDRO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)NCC(F)(F)F ZINC000160526863 402349411 /nfs/dbraw/zinc/34/94/11/402349411.db2.gz BHOOJFRFWHRUNC-ZDUSSCGKSA-N 1 0 300.324 2.276 20 70 DEIDRO CC1(C)C[C@H]([NH2+]Cc2cnc(N3CCOCC3)s2)CCO1 ZINC000160557586 402351271 /nfs/dbraw/zinc/35/12/71/402351271.db2.gz STQQJCSAVBCIMD-GFCCVEGCSA-N 1 0 311.451 2.027 20 70 DEIDRO Cc1ccc(CCCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160595104 402352973 /nfs/dbraw/zinc/35/29/73/402352973.db2.gz WRGGBZWBJDMXJF-UHFFFAOYSA-N 1 0 318.461 2.138 20 70 DEIDRO CC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1nc(C)cs1 ZINC000161440821 402387732 /nfs/dbraw/zinc/38/77/32/402387732.db2.gz DFGOZKNQLIPKTR-RYUDHWBXSA-N 1 0 304.419 2.478 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000160813559 402361210 /nfs/dbraw/zinc/36/12/10/402361210.db2.gz QBICGCMEIXBWAU-KOLCDFICSA-N 1 0 300.761 2.067 20 70 DEIDRO C[C@@]1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC[NH2+]C1 ZINC000160832644 402362517 /nfs/dbraw/zinc/36/25/17/402362517.db2.gz NBBOPQNUWMRWEH-GXTWGEPZSA-N 1 0 300.324 2.276 20 70 DEIDRO COc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)ccc1OC(F)F ZINC000160929005 402366022 /nfs/dbraw/zinc/36/60/22/402366022.db2.gz XCSSSHVKUUCSCJ-JTQLQIEISA-N 1 0 316.348 2.472 20 70 DEIDRO CCOc1cccc(CCNC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000161472661 402388532 /nfs/dbraw/zinc/38/85/32/402388532.db2.gz XFXKMAZPRNUBMF-OAHLLOKOSA-N 1 0 322.474 2.181 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(F)cc1Cl ZINC000161156654 402375207 /nfs/dbraw/zinc/37/52/07/402375207.db2.gz MEVQSPXXHOGPNW-LLVKDONJSA-N 1 0 300.761 2.068 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000161233308 402378126 /nfs/dbraw/zinc/37/81/26/402378126.db2.gz ODRPUCFOJMDQFO-INIZCTEOSA-N 1 0 304.434 2.474 20 70 DEIDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)c1 ZINC000161310740 402381928 /nfs/dbraw/zinc/38/19/28/402381928.db2.gz YCLGFAHBVDGBHE-GOSISDBHSA-N 1 0 319.449 2.195 20 70 DEIDRO CCCc1noc(CCCC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000159711865 402328758 /nfs/dbraw/zinc/32/87/58/402328758.db2.gz JKCIMWIMLWOUID-UHFFFAOYSA-N 1 0 308.426 2.123 20 70 DEIDRO CCc1nc(CCNC(=O)N2CCC[N@@H+](CC)CC2)sc1C ZINC000159797784 402330994 /nfs/dbraw/zinc/33/09/94/402330994.db2.gz SRFVRCINLCKHDJ-UHFFFAOYSA-N 1 0 324.494 2.294 20 70 DEIDRO COCC[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1C ZINC000159921046 402333496 /nfs/dbraw/zinc/33/34/96/402333496.db2.gz MVZOVURWTLKDGM-AWEZNQCLSA-N 1 0 322.453 2.270 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000159930166 402333833 /nfs/dbraw/zinc/33/38/33/402333833.db2.gz CBJSHVPLQJMCGP-LBPRGKRZSA-N 1 0 323.441 2.165 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)o1 ZINC000160216205 402338900 /nfs/dbraw/zinc/33/89/00/402338900.db2.gz JWUKVAAOEQICOJ-SJORKVTESA-N 1 0 320.433 2.394 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCSc1ccc(OC)cc1 ZINC000161158605 273967207 /nfs/dbraw/zinc/96/72/07/273967207.db2.gz LMRCWXGZVLCBFG-CYBMUJFWSA-N 1 0 308.447 2.388 20 70 DEIDRO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000161088043 278640638 /nfs/dbraw/zinc/64/06/38/278640638.db2.gz BAUDSCOZAFHVLD-RHSMWYFYSA-N 1 0 302.418 2.365 20 70 DEIDRO CC(C)NC(=O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000160931351 519708146 /nfs/dbraw/zinc/70/81/46/519708146.db2.gz DWRQBDSHIFQCOD-UHFFFAOYSA-N 1 0 323.868 2.419 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000160391918 519849009 /nfs/dbraw/zinc/84/90/09/519849009.db2.gz UZRSKIAMPNVJRZ-UHFFFAOYSA-N 1 0 320.433 2.191 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000160004361 521608342 /nfs/dbraw/zinc/60/83/42/521608342.db2.gz LETDCDIEGGMXLH-UHFFFAOYSA-N 1 0 308.451 2.258 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000159914236 521609325 /nfs/dbraw/zinc/60/93/25/521609325.db2.gz JIWRPANAHMBGQY-HNNXBMFYSA-N 1 0 306.454 2.083 20 70 DEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160140423 522058720 /nfs/dbraw/zinc/05/87/20/522058720.db2.gz FZGZVQNREJDKKN-KGLIPLIRSA-N 1 0 302.426 2.043 20 70 DEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000161347243 524396707 /nfs/dbraw/zinc/39/67/07/524396707.db2.gz YSZMMPQZPCBTDP-RDJZCZTQSA-N 1 0 304.434 2.119 20 70 DEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000161347497 524396756 /nfs/dbraw/zinc/39/67/56/524396756.db2.gz YSZMMPQZPCBTDP-DOTOQJQBSA-N 1 0 304.434 2.119 20 70 DEIDRO O=C(c1ccc(-n2ccnc2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159800785 526657079 /nfs/dbraw/zinc/65/70/79/526657079.db2.gz HEQSUBKVQUWDLM-UHFFFAOYSA-N 1 0 324.428 2.477 20 70 DEIDRO CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161001022 282562104 /nfs/dbraw/zinc/56/21/04/282562104.db2.gz AORCBICGCJLIBY-MRXNPFEDSA-N 1 0 323.481 2.016 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000160887662 539588781 /nfs/dbraw/zinc/58/87/81/539588781.db2.gz DKVPJOPTMZJXRG-QWHCGFSZSA-N 1 0 322.380 2.183 20 70 DEIDRO CCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000161401961 539590890 /nfs/dbraw/zinc/59/08/90/539590890.db2.gz XZHBBBUHWUXCCY-KBPBESRZSA-N 1 0 306.406 2.484 20 70 DEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159597362 186129810 /nfs/dbraw/zinc/12/98/10/186129810.db2.gz BNACSXSNQRFQDJ-AAEUAGOBSA-N 1 0 314.476 2.141 20 70 DEIDRO COC1(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000159630277 186131874 /nfs/dbraw/zinc/13/18/74/186131874.db2.gz PSXXVBGKPSNFIN-SNVBAGLBSA-N 1 0 314.788 2.425 20 70 DEIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000159629769 186131980 /nfs/dbraw/zinc/13/19/80/186131980.db2.gz AMKCUONQSNZJDC-UHFFFAOYSA-N 1 0 311.341 2.435 20 70 DEIDRO C[C@@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000159697780 186136121 /nfs/dbraw/zinc/13/61/21/186136121.db2.gz DFRJFTKQMFHPHK-QWRGUYRKSA-N 1 0 318.343 2.410 20 70 DEIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159739245 186138576 /nfs/dbraw/zinc/13/85/76/186138576.db2.gz CDZLCWRMYOXMQW-UKRRQHHQSA-N 1 0 311.470 2.052 20 70 DEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000160650214 355965505 /nfs/dbraw/zinc/96/55/05/355965505.db2.gz SODJZQUEMYJXFY-LSDHHAIUSA-N 1 0 317.437 2.131 20 70 DEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000161250386 197478279 /nfs/dbraw/zinc/47/82/79/197478279.db2.gz FDMWQUIRTCZKQL-UYSNPLJNSA-N 1 0 310.825 2.410 20 70 DEIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000161081642 197462743 /nfs/dbraw/zinc/46/27/43/197462743.db2.gz QLPJGRLREVPUNO-KBXCAEBGSA-N 1 0 323.400 2.437 20 70 DEIDRO O=C(/C=C/c1ccco1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160308916 197399167 /nfs/dbraw/zinc/39/91/67/197399167.db2.gz RZMTUWABPYWGDK-PWHGLLLSSA-N 1 0 318.417 2.177 20 70 DEIDRO COc1cc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000160295031 197398152 /nfs/dbraw/zinc/39/81/52/197398152.db2.gz VJYBYGVDTCWVPN-HZRUHFOJSA-N 1 0 304.390 2.055 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc2c1CCCC2 ZINC000160128558 197387805 /nfs/dbraw/zinc/38/78/05/197387805.db2.gz HUHRZCSXABLCPB-CYBMUJFWSA-N 1 0 322.474 2.204 20 70 DEIDRO O=S(=O)(Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160112456 197386478 /nfs/dbraw/zinc/38/64/78/197386478.db2.gz HBFYJZGCTDYMHA-KRWDZBQOSA-N 1 0 322.474 2.467 20 70 DEIDRO CC(C)(Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159988505 197379226 /nfs/dbraw/zinc/37/92/26/197379226.db2.gz YGKPEXDTFBBDQO-QGZVFWFLSA-N 1 0 318.461 2.218 20 70 DEIDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCCO1 ZINC000159937760 197375026 /nfs/dbraw/zinc/37/50/26/197375026.db2.gz SPAZJLJBBSRJCW-KRWDZBQOSA-N 1 0 317.433 2.254 20 70 DEIDRO C[C@H]1OCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000159901094 197371518 /nfs/dbraw/zinc/37/15/18/197371518.db2.gz ZMBHFJICVKNSLW-ZIAGYGMSSA-N 1 0 305.422 2.067 20 70 DEIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159853242 197368905 /nfs/dbraw/zinc/36/89/05/197368905.db2.gz GFMAEMFFJAGFBX-GFCCVEGCSA-N 1 0 324.446 2.220 20 70 DEIDRO CCn1c(CC[NH3+])nnc1Sc1nc(C(C)(C)C)ns1 ZINC000159815989 197366550 /nfs/dbraw/zinc/36/65/50/197366550.db2.gz WEMSYSTWEIRBJU-UHFFFAOYSA-N 1 0 312.468 2.099 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2F)c1 ZINC000159775580 197363639 /nfs/dbraw/zinc/36/36/39/197363639.db2.gz XGLWOMPCMWVARB-VXGBXAGGSA-N 1 0 302.353 2.386 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000159447783 197354420 /nfs/dbraw/zinc/35/44/20/197354420.db2.gz LJALSEIQRHEYBB-OKZBNKHCSA-N 1 0 316.445 2.283 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000159441666 197353994 /nfs/dbraw/zinc/35/39/94/197353994.db2.gz MGISTONQWKTCBR-UWVGGRQHSA-N 1 0 315.211 2.089 20 70 DEIDRO COCCC1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000161134780 284858703 /nfs/dbraw/zinc/85/87/03/284858703.db2.gz PUMUVBOAVGNJAD-INIZCTEOSA-N 1 0 323.481 2.463 20 70 DEIDRO Cc1cccc([C@H](C)[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159392998 402322725 /nfs/dbraw/zinc/32/27/25/402322725.db2.gz FCBVMOPBTQLDLC-MAUKXSAKSA-N 1 0 315.461 2.470 20 70 DEIDRO Cc1nc(CC[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cs1 ZINC000160271859 402340112 /nfs/dbraw/zinc/34/01/12/402340112.db2.gz NZWZUCXWDBBRNW-NSHDSACASA-N 1 0 314.418 2.321 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1Cl ZINC000160346955 402341571 /nfs/dbraw/zinc/34/15/71/402341571.db2.gz LMQXNQCKLVZYGX-LLVKDONJSA-N 1 0 314.788 2.056 20 70 DEIDRO COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)CC[NH2+]CC1 ZINC000161423308 402387100 /nfs/dbraw/zinc/38/71/00/402387100.db2.gz IYFJPGNIZVEHQS-GOEBONIOSA-N 1 0 302.418 2.160 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000160478320 402346830 /nfs/dbraw/zinc/34/68/30/402346830.db2.gz WGGXKBMDHJNZPE-GJZGRUSLSA-N 1 0 323.481 2.049 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160491136 402348044 /nfs/dbraw/zinc/34/80/44/402348044.db2.gz YVSGHUUSEOPSHQ-UONOGXRCSA-N 1 0 304.390 2.248 20 70 DEIDRO CCCOc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160519575 402349263 /nfs/dbraw/zinc/34/92/63/402349263.db2.gz PSSZJXNJNKKDCA-MRXNPFEDSA-N 1 0 320.433 2.052 20 70 DEIDRO O=C(CCCOc1cccc(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160655540 402355547 /nfs/dbraw/zinc/35/55/47/402355547.db2.gz LWULZNXHASCPRI-GASCZTMLSA-N 1 0 306.381 2.338 20 70 DEIDRO C[C@H]1C[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C ZINC000160660325 402356128 /nfs/dbraw/zinc/35/61/28/402356128.db2.gz XPGAHWZLCJSHRI-SZMVWBNQSA-N 1 0 315.461 2.422 20 70 DEIDRO COC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160828195 402361911 /nfs/dbraw/zinc/36/19/11/402361911.db2.gz PGYWILBDDALKGU-HUUCEWRRSA-N 1 0 309.454 2.071 20 70 DEIDRO O=C(NCc1ccc(O)c(F)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160871435 402363494 /nfs/dbraw/zinc/36/34/94/402363494.db2.gz ZDKRDFHHQWCVNQ-ZDUSSCGKSA-N 1 0 321.396 2.347 20 70 DEIDRO c1c(CC[NH2+]C2CCC3(CC2)OCCO3)nc2ccccn12 ZINC000161021977 402369247 /nfs/dbraw/zinc/36/92/47/402369247.db2.gz DRZMIFNSNOCWNY-UHFFFAOYSA-N 1 0 301.390 2.152 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000161043831 402370204 /nfs/dbraw/zinc/37/02/04/402370204.db2.gz HBSHJRUWHAUDKK-CQSZACIVSA-N 1 0 304.390 2.218 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000161039580 402370516 /nfs/dbraw/zinc/37/05/16/402370516.db2.gz TYQNQUBCYKDWOW-CQSZACIVSA-N 1 0 306.406 2.449 20 70 DEIDRO C[C@@H]1CN(CCC[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC000161461320 402388325 /nfs/dbraw/zinc/38/83/25/402388325.db2.gz FILKNHGLKQZHCG-CQSZACIVSA-N 1 0 307.404 2.431 20 70 DEIDRO Cc1cccc(O[C@H](C)CNC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000161165346 402376177 /nfs/dbraw/zinc/37/61/77/402376177.db2.gz UWQRAJDVWJREPR-OAHLLOKOSA-N 1 0 324.424 2.375 20 70 DEIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CCOCC1 ZINC000161190319 402376737 /nfs/dbraw/zinc/37/67/37/402376737.db2.gz DTBFVFHDNLPZDE-AWEZNQCLSA-N 1 0 306.454 2.342 20 70 DEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000161204941 402377784 /nfs/dbraw/zinc/37/77/84/402377784.db2.gz PUGXRYXRVUZHOW-WMLDXEAASA-N 1 0 314.437 2.187 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2F)c1 ZINC000161233296 402378165 /nfs/dbraw/zinc/37/81/65/402378165.db2.gz SJADMNYSJPDYAA-LBPRGKRZSA-N 1 0 302.353 2.258 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000161218690 402378272 /nfs/dbraw/zinc/37/82/72/402378272.db2.gz LSIDHGILOMTQPX-OAHLLOKOSA-N 1 0 324.428 2.185 20 70 DEIDRO CCC[N@H+](CCO)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000161229718 402378498 /nfs/dbraw/zinc/37/84/98/402378498.db2.gz VPTUFBJOLKZVMH-UHFFFAOYSA-N 1 0 305.378 2.161 20 70 DEIDRO CC1CC[NH+](CCCNC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000161468204 402388768 /nfs/dbraw/zinc/38/87/68/402388768.db2.gz OEJPFICDTUCIHY-HNNXBMFYSA-N 1 0 313.486 2.205 20 70 DEIDRO CN(C)C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237177 402378824 /nfs/dbraw/zinc/37/88/24/402378824.db2.gz ZOCOMZOXPSFBLN-UHFFFAOYSA-N 1 0 300.406 2.029 20 70 DEIDRO CC[N@H+](Cc1ccc(C(=O)NCC[C@@H](O)COC)cc1)C(C)C ZINC000161236812 402379192 /nfs/dbraw/zinc/37/91/92/402379192.db2.gz LTFRDXANFLVDLO-QGZVFWFLSA-N 1 0 322.449 2.044 20 70 DEIDRO CCc1ccc([C@@H](CNC(=O)c2cc(C)ncn2)[NH+](C)C)cc1 ZINC000161301718 402381467 /nfs/dbraw/zinc/38/14/67/402381467.db2.gz YMGXMEOLURIVBB-QGZVFWFLSA-N 1 0 312.417 2.380 20 70 DEIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159771170 402330266 /nfs/dbraw/zinc/33/02/66/402330266.db2.gz SMLGKRVJSYJFOU-LSDHHAIUSA-N 1 0 311.470 2.175 20 70 DEIDRO Cc1cnccc1CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161400763 402386402 /nfs/dbraw/zinc/38/64/02/402386402.db2.gz SCGAQZDRGVENAT-MRXNPFEDSA-N 1 0 316.449 2.249 20 70 DEIDRO CSCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159977009 402334268 /nfs/dbraw/zinc/33/42/68/402334268.db2.gz RPDKFRXAMYYGNN-MRXNPFEDSA-N 1 0 322.474 2.126 20 70 DEIDRO CC(C)(C)CC(=O)Nc1ccc(CC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160099095 402336152 /nfs/dbraw/zinc/33/61/52/402336152.db2.gz AWQKFMZBLYKEPR-UHFFFAOYSA-N 1 0 319.449 2.457 20 70 DEIDRO O=C(CCSc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160312818 267454481 /nfs/dbraw/zinc/45/44/81/267454481.db2.gz UOZUHUXQFHDQND-OAHLLOKOSA-N 1 0 322.474 2.132 20 70 DEIDRO CS[C@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161122895 274184447 /nfs/dbraw/zinc/18/44/47/274184447.db2.gz DMKHZGKFGUTJFQ-PMPSAXMXSA-N 1 0 304.459 2.491 20 70 DEIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@@H](C)O1 ZINC000160466854 274350686 /nfs/dbraw/zinc/35/06/86/274350686.db2.gz YFYCWGYXDCWMMF-BZPMIXESSA-N 1 0 310.829 2.208 20 70 DEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000161499820 279312130 /nfs/dbraw/zinc/31/21/30/279312130.db2.gz IDRVTQITOYONKT-QXSJWSMHSA-N 1 0 321.465 2.118 20 70 DEIDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)N(C)C1CC1 ZINC000218561153 337339822 /nfs/dbraw/zinc/33/98/22/337339822.db2.gz SUDFFJFQWKECND-WFASDCNBSA-N 1 0 312.841 2.152 20 70 DEIDRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160832244 519717102 /nfs/dbraw/zinc/71/71/02/519717102.db2.gz ODARJPPBAONTGS-NVXWUHKLSA-N 1 0 322.424 2.343 20 70 DEIDRO CC(C)[C@H](CNC(=O)[C@@H](C)c1cccs1)[NH+]1CCN(C)CC1 ZINC000160054615 519815572 /nfs/dbraw/zinc/81/55/72/519815572.db2.gz POSXZRSBNUCNIR-GJZGRUSLSA-N 1 0 323.506 2.240 20 70 DEIDRO CCOc1cc(CCCNC(=O)[C@H]2CCCC[NH2+]2)ccc1OC ZINC000160062513 520693770 /nfs/dbraw/zinc/69/37/70/520693770.db2.gz YAZUQIJMZFECLO-OAHLLOKOSA-N 1 0 320.433 2.285 20 70 DEIDRO CCOc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159605343 521352867 /nfs/dbraw/zinc/35/28/67/521352867.db2.gz OESHBUOWPJUZRS-UHFFFAOYSA-N 1 0 305.422 2.323 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)NCc1ccccc1C)C(=O)OC ZINC000159658996 521440408 /nfs/dbraw/zinc/44/04/08/521440408.db2.gz PFMHMHRARSTGFA-UHFFFAOYSA-N 1 0 320.433 2.180 20 70 DEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000161347130 524398064 /nfs/dbraw/zinc/39/80/64/524398064.db2.gz YSZMMPQZPCBTDP-WBVHZDCISA-N 1 0 304.434 2.119 20 70 DEIDRO C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1cccs1 ZINC000160142652 526041373 /nfs/dbraw/zinc/04/13/73/526041373.db2.gz IEMJMUQRMMSVQM-AWEZNQCLSA-N 1 0 323.506 2.241 20 70 DEIDRO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160406251 526936638 /nfs/dbraw/zinc/93/66/38/526936638.db2.gz AUBUMCAFSLFRFA-NVXWUHKLSA-N 1 0 321.465 2.214 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000160192524 282177581 /nfs/dbraw/zinc/17/75/81/282177581.db2.gz JPACYDICILFCNC-JLLWLGSASA-N 1 0 314.307 2.248 20 70 DEIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160527085 295771031 /nfs/dbraw/zinc/77/10/31/295771031.db2.gz LVFQSFNEMSVLKF-ZACQAIPSSA-N 1 0 321.465 2.214 20 70 DEIDRO COc1ccccc1[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccn1 ZINC000159820320 539584407 /nfs/dbraw/zinc/58/44/07/539584407.db2.gz ZTUZNTKPJGWHEU-SUMWQHHRSA-N 1 0 313.401 2.246 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000160767297 539587880 /nfs/dbraw/zinc/58/78/80/539587880.db2.gz CJRJNCZFQNDPHJ-HZPDHXFCSA-N 1 0 316.449 2.462 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000161080989 539589222 /nfs/dbraw/zinc/58/92/22/539589222.db2.gz LGMSLMDCAGHBEC-OLZOCXBDSA-N 1 0 302.353 2.011 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000161066175 539589638 /nfs/dbraw/zinc/58/96/38/539589638.db2.gz GXHCLUUARHOFGT-HZPDHXFCSA-N 1 0 320.408 2.260 20 70 DEIDRO Cc1cc(NC(=O)c2ccc(C[NH3+])o2)ccc1C(=O)N(C)C ZINC000160517492 539586340 /nfs/dbraw/zinc/58/63/40/539586340.db2.gz XMIYSXVEYSNNNV-UHFFFAOYSA-N 1 0 301.346 2.001 20 70 DEIDRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(C)cc(F)cc1C ZINC000217902790 539726897 /nfs/dbraw/zinc/72/68/97/539726897.db2.gz UMEAVNPYVLTFNK-UHFFFAOYSA-N 1 0 316.442 2.453 20 70 DEIDRO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@@H]1CCC[C@@H]1O ZINC000159608426 186130646 /nfs/dbraw/zinc/13/06/46/186130646.db2.gz HBZJRQDPNNCMLP-LNLFQRSKSA-N 1 0 316.445 2.347 20 70 DEIDRO Cc1cc(C)n([C@H](C)C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159726916 186138174 /nfs/dbraw/zinc/13/81/74/186138174.db2.gz QDAKSDZFPJSPHD-OAHLLOKOSA-N 1 0 306.454 2.490 20 70 DEIDRO Cc1csc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000160770761 355966071 /nfs/dbraw/zinc/96/60/71/355966071.db2.gz NXHNBYXRKSSVRJ-CYBMUJFWSA-N 1 0 322.478 2.470 20 70 DEIDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160295828 197398610 /nfs/dbraw/zinc/39/86/10/197398610.db2.gz BHJKOZXCIHRDBR-MEDUHNTESA-N 1 0 313.405 2.211 20 70 DEIDRO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000160141076 197388937 /nfs/dbraw/zinc/38/89/37/197388937.db2.gz MKIJHRILDMEDSP-LBPRGKRZSA-N 1 0 305.397 2.106 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2nc(C)c(C)s2)CC1 ZINC000159999470 197378385 /nfs/dbraw/zinc/37/83/85/197378385.db2.gz SATFQFJUUJLYOS-UHFFFAOYSA-N 1 0 310.467 2.040 20 70 DEIDRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159794264 197365836 /nfs/dbraw/zinc/36/58/36/197365836.db2.gz HMRAXRZZLRNVJN-ZETOZRRWSA-N 1 0 312.360 2.385 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2F)c1 ZINC000159778745 197363476 /nfs/dbraw/zinc/36/34/76/197363476.db2.gz RQWVTJOKQXPDMA-LBPRGKRZSA-N 1 0 302.353 2.400 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2F)c1 ZINC000159775465 197363208 /nfs/dbraw/zinc/36/32/08/197363208.db2.gz XGLWOMPCMWVARB-RYUDHWBXSA-N 1 0 302.353 2.386 20 70 DEIDRO COc1cc(F)c(C(=O)NCC2([NH3+])CCCCC2)cc1OC ZINC000159483815 197357157 /nfs/dbraw/zinc/35/71/57/197357157.db2.gz GHAKODYXZRJLRJ-UHFFFAOYSA-N 1 0 310.369 2.234 20 70 DEIDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159401344 197350642 /nfs/dbraw/zinc/35/06/42/197350642.db2.gz OFNOQLPBZDFSMB-UHFFFAOYSA-N 1 0 300.406 2.413 20 70 DEIDRO O=C(CSCc1cc(-c2cccs2)on1)N1CC[NH2+]CC1 ZINC000159404848 402322520 /nfs/dbraw/zinc/32/25/20/402322520.db2.gz FJNXMZGVJLXFKX-UHFFFAOYSA-N 1 0 323.443 2.068 20 70 DEIDRO C[C@@H](CCOc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159397489 402322889 /nfs/dbraw/zinc/32/28/89/402322889.db2.gz HXHAORCFDBROAU-HRCADAONSA-N 1 0 302.418 2.445 20 70 DEIDRO CC(C)COC[C@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159424132 402323451 /nfs/dbraw/zinc/32/34/51/402323451.db2.gz ZKDVAPJSHHGMTQ-IEBWSBKVSA-N 1 0 319.445 2.194 20 70 DEIDRO Cc1cc(CN2CCC[C@H]2C(N)=O)sc1Br ZINC000160334793 402340891 /nfs/dbraw/zinc/34/08/91/402340891.db2.gz GSKBSXLWKNIRKX-VIFPVBQESA-N 1 0 303.225 2.269 20 70 DEIDRO CC(C)(C)c1nsc(N2CCC[C@H]2CN2CCOCC2)n1 ZINC000160407716 402344308 /nfs/dbraw/zinc/34/43/08/402344308.db2.gz ORZZDATUSRIQEH-LBPRGKRZSA-N 1 0 310.467 2.137 20 70 DEIDRO O=C(Cc1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160504970 402348535 /nfs/dbraw/zinc/34/85/35/402348535.db2.gz YGEDENRYMKERPK-CVEARBPZSA-N 1 0 322.474 2.175 20 70 DEIDRO O=C(Cc1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160505229 402349009 /nfs/dbraw/zinc/34/90/09/402349009.db2.gz YGEDENRYMKERPK-HZPDHXFCSA-N 1 0 322.474 2.175 20 70 DEIDRO O=C(C[NH2+][C@H]1CCCOc2ccc(F)cc21)NCC(F)(F)F ZINC000160540107 402349967 /nfs/dbraw/zinc/34/99/67/402349967.db2.gz OPKNYAOBHDHIOU-NSHDSACASA-N 1 0 320.286 2.308 20 70 DEIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(OCc2nccn2C)cc1 ZINC000160607406 402353985 /nfs/dbraw/zinc/35/39/85/402353985.db2.gz SSMBFGIPBILXEG-CYBMUJFWSA-N 1 0 303.406 2.421 20 70 DEIDRO O=C(CCc1ccoc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160655328 402355498 /nfs/dbraw/zinc/35/54/98/402355498.db2.gz ZTDDBXUGKBHNGG-SJORKVTESA-N 1 0 320.433 2.096 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000160669408 402356118 /nfs/dbraw/zinc/35/61/18/402356118.db2.gz MSZZLURFJCUCCP-GJZGRUSLSA-N 1 0 302.418 2.326 20 70 DEIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000160664153 402356396 /nfs/dbraw/zinc/35/63/96/402356396.db2.gz MGTDUYYQOMNGOR-IXDOHACOSA-N 1 0 301.434 2.356 20 70 DEIDRO C[N@H+](C[C@H]1CCOC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160685674 402356597 /nfs/dbraw/zinc/35/65/97/402356597.db2.gz XYRVBLQDEAPOKN-CZUORRHYSA-N 1 0 306.381 2.289 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)C1 ZINC000160684261 402356641 /nfs/dbraw/zinc/35/66/41/402356641.db2.gz GWHGUOJZNYSGNN-LBPRGKRZSA-N 1 0 317.414 2.253 20 70 DEIDRO CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160849859 402362943 /nfs/dbraw/zinc/36/29/43/402362943.db2.gz PXYPAFHHEMFFNJ-OAHLLOKOSA-N 1 0 302.422 2.240 20 70 DEIDRO COCCOC[C@@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160849709 402363208 /nfs/dbraw/zinc/36/32/08/402363208.db2.gz JGZOSHYWFXZCEW-OAHLLOKOSA-N 1 0 303.406 2.128 20 70 DEIDRO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000161035852 402370393 /nfs/dbraw/zinc/37/03/93/402370393.db2.gz HABUFEONKVDAIO-HNNXBMFYSA-N 1 0 318.417 2.430 20 70 DEIDRO Cc1ncsc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161062901 402371682 /nfs/dbraw/zinc/37/16/82/402371682.db2.gz DMCMEZBESUGOPH-UHFFFAOYSA-N 1 0 307.394 2.452 20 70 DEIDRO C[NH+](C)[C@H](CNC(=O)c1cccc(F)n1)c1cccc(F)c1 ZINC000161087258 402372197 /nfs/dbraw/zinc/37/21/97/402372197.db2.gz SEXYKEUHLANNSV-CQSZACIVSA-N 1 0 305.328 2.393 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000161148897 402375350 /nfs/dbraw/zinc/37/53/50/402375350.db2.gz ZUSCVVQCQJGWGL-CYBMUJFWSA-N 1 0 320.481 2.064 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccccc1Cn1cccn1 ZINC000161169709 402375719 /nfs/dbraw/zinc/37/57/19/402375719.db2.gz FGJRODJGUJVZIF-UHFFFAOYSA-N 1 0 314.433 2.313 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000161192343 402377292 /nfs/dbraw/zinc/37/72/92/402377292.db2.gz MQRLCNIIKQCDGO-CYBMUJFWSA-N 1 0 324.306 2.098 20 70 DEIDRO CCCNC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161238651 402378797 /nfs/dbraw/zinc/37/87/97/402378797.db2.gz OZYQUMVJDGWESL-UHFFFAOYSA-N 1 0 314.433 2.467 20 70 DEIDRO CC(C)NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161238365 402379026 /nfs/dbraw/zinc/37/90/26/402379026.db2.gz VIPFSXMITYYPFH-UHFFFAOYSA-N 1 0 314.433 2.466 20 70 DEIDRO CCc1nsc(N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000161383024 402385365 /nfs/dbraw/zinc/38/53/65/402385365.db2.gz CRTCUVHQSZLROA-UHFFFAOYSA-N 1 0 323.510 2.099 20 70 DEIDRO COc1ccccc1[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159669848 402328234 /nfs/dbraw/zinc/32/82/34/402328234.db2.gz DUIVWTTWIWMCMH-KRWDZBQOSA-N 1 0 319.449 2.124 20 70 DEIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ncccc1F ZINC000159750005 402329759 /nfs/dbraw/zinc/32/97/59/402329759.db2.gz PBUNDIJRCXYDCE-CHWSQXEVSA-N 1 0 308.401 2.140 20 70 DEIDRO Cn1cnc2cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cnc21 ZINC000159857082 402332074 /nfs/dbraw/zinc/33/20/74/402332074.db2.gz WQEOBQPKEKQCIZ-AWEZNQCLSA-N 1 0 317.437 2.065 20 70 DEIDRO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)C12CCC2 ZINC000159907296 402332916 /nfs/dbraw/zinc/33/29/16/402332916.db2.gz QUEBABFMOUDDHM-CABCVRRESA-N 1 0 309.454 2.071 20 70 DEIDRO O=C([C@H]1CCCCO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161401250 402386585 /nfs/dbraw/zinc/38/65/85/402386585.db2.gz DVSXKXPUGWMKBY-QGZVFWFLSA-N 1 0 302.418 2.290 20 70 DEIDRO O=C(C1CC[NH2+]CC1)N1CCc2ccc(Br)cc21 ZINC000159992256 402335170 /nfs/dbraw/zinc/33/51/70/402335170.db2.gz GHEIBBCIGJVZAX-UHFFFAOYSA-N 1 0 309.207 2.338 20 70 DEIDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCn1cccn1 ZINC000160037903 402335458 /nfs/dbraw/zinc/33/54/58/402335458.db2.gz HWTJSIMVAIGLEH-UHFFFAOYSA-N 1 0 321.469 2.037 20 70 DEIDRO O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160049089 402335772 /nfs/dbraw/zinc/33/57/72/402335772.db2.gz DTWRAIPKJBXEMA-GASCZTMLSA-N 1 0 318.804 2.469 20 70 DEIDRO O=C(C[C@@H]1CCc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160178305 402337331 /nfs/dbraw/zinc/33/73/31/402337331.db2.gz FCMJOLAFQPDVTH-DLBZAZTESA-N 1 0 316.445 2.070 20 70 DEIDRO CCn1cc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cn1 ZINC000160160971 402337713 /nfs/dbraw/zinc/33/77/13/402337713.db2.gz ASPONDJIGIAPGT-UHFFFAOYSA-N 1 0 315.421 2.383 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000161357071 277025176 /nfs/dbraw/zinc/02/51/76/277025176.db2.gz QAJAUBVKNMDGJE-XYUDRNGQSA-N 1 0 309.498 2.390 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@H]1C ZINC000161263839 277283956 /nfs/dbraw/zinc/28/39/56/277283956.db2.gz SWALFVOFZLZFHD-NVXWUHKLSA-N 1 0 315.461 2.428 20 70 DEIDRO CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160972245 519048112 /nfs/dbraw/zinc/04/81/12/519048112.db2.gz DERKQHZZHONFDI-ZBFHGGJFSA-N 1 0 304.434 2.133 20 70 DEIDRO CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000160970212 519049203 /nfs/dbraw/zinc/04/92/03/519049203.db2.gz GYZKWUXQTCTBOS-HZPDHXFCSA-N 1 0 304.434 2.276 20 70 DEIDRO CC[C@@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)[NH+](C)C ZINC000159414734 521853174 /nfs/dbraw/zinc/85/31/74/521853174.db2.gz AUPFZPCBCFRZHG-INIZCTEOSA-N 1 0 314.433 2.446 20 70 DEIDRO CCc1nc(-c2ccccc2NC(=O)C[NH+](CC)CC)n[nH]1 ZINC000161194074 522119842 /nfs/dbraw/zinc/11/98/42/522119842.db2.gz ZDNMENQEBFFYRM-UHFFFAOYSA-N 1 0 301.394 2.314 20 70 DEIDRO COC1(C(=O)NCC(C)(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000159489174 522544271 /nfs/dbraw/zinc/54/42/71/522544271.db2.gz HBKXAKDFXKIEKX-UHFFFAOYSA-N 1 0 304.434 2.140 20 70 DEIDRO COCCC1(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000161091811 523010596 /nfs/dbraw/zinc/01/05/96/523010596.db2.gz ROVXPCXNOKEZFM-UHFFFAOYSA-N 1 0 320.433 2.060 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000160213653 526225481 /nfs/dbraw/zinc/22/54/81/526225481.db2.gz BYGAEBOSSJADIT-MRXNPFEDSA-N 1 0 318.465 2.352 20 70 DEIDRO CC[NH+](CC)C1CCN(c2cc(S(=O)(=O)F)ccn2)CC1 ZINC001165053604 722007638 /nfs/dbraw/zinc/00/76/38/722007638.db2.gz ANODCHOTOURPAZ-UHFFFAOYSA-N 1 0 315.414 2.050 20 70 DEIDRO CN(CCOCc1ccccc1)C(=O)CCCn1ccnc1 ZINC000159508791 539582811 /nfs/dbraw/zinc/58/28/11/539582811.db2.gz FPULCPDFSWBNFZ-UHFFFAOYSA-N 1 0 301.390 2.339 20 70 DEIDRO CC(C)C[C@@H]([NH3+])C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161302603 539590067 /nfs/dbraw/zinc/59/00/67/539590067.db2.gz ATIUBJAHWIFRSP-MRXNPFEDSA-N 1 0 318.396 2.044 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000161334400 539591102 /nfs/dbraw/zinc/59/11/02/539591102.db2.gz GBSIZKJSBIRBNE-GHMZBOCLSA-N 1 0 317.311 2.022 20 70 DEIDRO CCc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000161502242 539591845 /nfs/dbraw/zinc/59/18/45/539591845.db2.gz BRBWSKUBFKGHMR-ZIAGYGMSSA-N 1 0 312.417 2.434 20 70 DEIDRO CCCn1c(C)nnc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000159681463 186135442 /nfs/dbraw/zinc/13/54/42/186135442.db2.gz VQNFHHBEURCKGS-MRXNPFEDSA-N 1 0 305.470 2.304 20 70 DEIDRO Cc1cc(C)n([C@@H](C)C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159726776 186137805 /nfs/dbraw/zinc/13/78/05/186137805.db2.gz QDAKSDZFPJSPHD-HNNXBMFYSA-N 1 0 306.454 2.490 20 70 DEIDRO CS(=O)(=O)c1ccc(CNCCC[NH+]2CCCCC2)cc1 ZINC000159736867 186138832 /nfs/dbraw/zinc/13/88/32/186138832.db2.gz JWJJAQNYBJDVHD-UHFFFAOYSA-N 1 0 310.463 2.056 20 70 DEIDRO Cc1ncc(Cl)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000159822391 355963019 /nfs/dbraw/zinc/96/30/19/355963019.db2.gz ZKLVMHQCUOLPNY-UHFFFAOYSA-N 1 0 308.813 2.043 20 70 DEIDRO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000159950615 355963111 /nfs/dbraw/zinc/96/31/11/355963111.db2.gz HQDFBCYYDCXSPE-SMDDNHRTSA-N 1 0 308.426 2.334 20 70 DEIDRO CCC(CC)CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000160563587 355965270 /nfs/dbraw/zinc/96/52/70/355965270.db2.gz SRRYBEWMSSWVJP-UHFFFAOYSA-N 1 0 312.502 2.090 20 70 DEIDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2CO)CC1 ZINC000161123542 355968010 /nfs/dbraw/zinc/96/80/10/355968010.db2.gz APKOERLXZCZRBX-UHFFFAOYSA-N 1 0 319.449 2.099 20 70 DEIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000160240358 197394562 /nfs/dbraw/zinc/39/45/62/197394562.db2.gz SLHHPGUCWVSZFO-LSDHHAIUSA-N 1 0 306.406 2.086 20 70 DEIDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CO)C1 ZINC000160127387 197388242 /nfs/dbraw/zinc/38/82/42/197388242.db2.gz WBYFQUDXXKVQOJ-CHWSQXEVSA-N 1 0 300.443 2.430 20 70 DEIDRO COc1cc(F)c([C@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000159964162 197376646 /nfs/dbraw/zinc/37/66/46/197376646.db2.gz RGKVKCKZIWRSCA-WDEREUQCSA-N 1 0 310.369 2.020 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000159953585 197376284 /nfs/dbraw/zinc/37/62/84/197376284.db2.gz PZHNHEPTBWDDJS-GFCCVEGCSA-N 1 0 322.352 2.063 20 70 DEIDRO O=C(NCCc1cscn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000159468940 197356215 /nfs/dbraw/zinc/35/62/15/197356215.db2.gz FXTORJLKZTXJBV-HNNXBMFYSA-N 1 0 322.478 2.346 20 70 DEIDRO C[N@H+](CCCOc1ccc2c(c1)OCO2)C[C@@H]1CCC[C@@H]1O ZINC000159453709 197355343 /nfs/dbraw/zinc/35/53/43/197355343.db2.gz BKOAQSCDQUEBTG-ZFWWWQNUSA-N 1 0 307.390 2.277 20 70 DEIDRO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159401382 197350538 /nfs/dbraw/zinc/35/05/38/197350538.db2.gz LVNFYKKBUIQGKX-CQSZACIVSA-N 1 0 314.307 2.411 20 70 DEIDRO Cc1ccc(C)c(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159380037 402322813 /nfs/dbraw/zinc/32/28/13/402322813.db2.gz WXVUJSZHDQEEDR-SFHVURJKSA-N 1 0 315.461 2.218 20 70 DEIDRO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1 ZINC000159439753 402323250 /nfs/dbraw/zinc/32/32/50/402323250.db2.gz IKBRVLMWQNPNGD-ZDUSSCGKSA-N 1 0 319.372 2.161 20 70 DEIDRO O=C(NCCc1cscn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000159468821 402323978 /nfs/dbraw/zinc/32/39/78/402323978.db2.gz FXTORJLKZTXJBV-OAHLLOKOSA-N 1 0 322.478 2.346 20 70 DEIDRO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217139959 402291141 /nfs/dbraw/zinc/29/11/41/402291141.db2.gz QTIUCVPOJDHBHQ-UKRRQHHQSA-N 1 0 323.868 2.371 20 70 DEIDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC000217825574 402293868 /nfs/dbraw/zinc/29/38/68/402293868.db2.gz ZZWMXIPWLNLXAL-UHFFFAOYSA-N 1 0 309.362 2.225 20 70 DEIDRO CSc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160325198 402340575 /nfs/dbraw/zinc/34/05/75/402340575.db2.gz AOPKHAXDBLHGDN-LLVKDONJSA-N 1 0 314.476 2.047 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000160447462 402346054 /nfs/dbraw/zinc/34/60/54/402346054.db2.gz BATWHWOQVHSFGD-JTQLQIEISA-N 1 0 321.446 2.367 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 ZINC000160469314 402347207 /nfs/dbraw/zinc/34/72/07/402347207.db2.gz WLSNRXWXXNBFBW-LBPRGKRZSA-N 1 0 314.364 2.398 20 70 DEIDRO CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160574277 402351546 /nfs/dbraw/zinc/35/15/46/402351546.db2.gz LINQQOMLKLWEIF-OAHLLOKOSA-N 1 0 320.433 2.201 20 70 DEIDRO COc1ccc(CCNC(=O)[C@H]([NH3+])CCSC)c(Cl)c1 ZINC000160606389 402354042 /nfs/dbraw/zinc/35/40/42/402354042.db2.gz XZMBPZMLEJYKRR-CYBMUJFWSA-N 1 0 316.854 2.088 20 70 DEIDRO CC[N@H+](CCNC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C ZINC000160740766 402358901 /nfs/dbraw/zinc/35/89/01/402358901.db2.gz HKMXEXVOUMVQHB-UHFFFAOYSA-N 1 0 321.347 2.297 20 70 DEIDRO O=C(c1ccccc1OCc1cscn1)N1CCC[NH2+]CC1 ZINC000160838053 402362683 /nfs/dbraw/zinc/36/26/83/402362683.db2.gz LPCLOBOQOUOEOT-UHFFFAOYSA-N 1 0 317.414 2.158 20 70 DEIDRO CC[C@H](C)[C@@H](O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160953301 402367160 /nfs/dbraw/zinc/36/71/60/402367160.db2.gz YZRFUSVLYSUDPJ-JYJNAYRXSA-N 1 0 313.486 2.203 20 70 DEIDRO CO[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000161002516 402369014 /nfs/dbraw/zinc/36/90/14/402369014.db2.gz JTXYWJBSHOWWKG-CVEARBPZSA-N 1 0 311.470 2.317 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000161039723 402370353 /nfs/dbraw/zinc/37/03/53/402370353.db2.gz JFUOIRPMPVJXKX-CQSZACIVSA-N 1 0 304.390 2.218 20 70 DEIDRO CCC[N@H+](CCO)Cc1cnc2ccc(Br)cn12 ZINC000161197727 402376836 /nfs/dbraw/zinc/37/68/36/402376836.db2.gz CQHTWRABOOOKRO-UHFFFAOYSA-N 1 0 312.211 2.301 20 70 DEIDRO CC(C)(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000161247046 402379187 /nfs/dbraw/zinc/37/91/87/402379187.db2.gz MVUJFPPFAUAULP-AWEZNQCLSA-N 1 0 313.486 2.347 20 70 DEIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2(C)CCC2)[C@H](C)C1 ZINC000161304014 402381564 /nfs/dbraw/zinc/38/15/64/402381564.db2.gz MITUMAAZBXXVTK-CABCVRRESA-N 1 0 311.470 2.365 20 70 DEIDRO COC1(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000161350346 402384205 /nfs/dbraw/zinc/38/42/05/402384205.db2.gz GUIGNIGWYUADCF-OAHLLOKOSA-N 1 0 304.434 2.119 20 70 DEIDRO CC(=O)Nc1cccc(NC(=O)CN(C)[C@H]2CCSC2)c1C ZINC000159718086 402328869 /nfs/dbraw/zinc/32/88/69/402328869.db2.gz PMBVIKVIJGSVFC-ZDUSSCGKSA-N 1 0 321.446 2.329 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000159998751 402335219 /nfs/dbraw/zinc/33/52/19/402335219.db2.gz PZFPFOUZSMZDRP-KGLIPLIRSA-N 1 0 309.454 2.118 20 70 DEIDRO CCCN(CCO)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160214346 402338243 /nfs/dbraw/zinc/33/82/43/402338243.db2.gz UZCZFCUOGVYKCR-WBVHZDCISA-N 1 0 319.449 2.063 20 70 DEIDRO CC[C@H](C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)[NH+](C)C ZINC000161101786 276540744 /nfs/dbraw/zinc/54/07/44/276540744.db2.gz IUWAHVIQXMJSLR-OAHLLOKOSA-N 1 0 319.449 2.431 20 70 DEIDRO COC1(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000159805205 277462058 /nfs/dbraw/zinc/46/20/58/277462058.db2.gz PZNILBWFDLAENB-ZFWWWQNUSA-N 1 0 320.408 2.299 20 70 DEIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000160456273 280283220 /nfs/dbraw/zinc/28/32/20/280283220.db2.gz OSGHMVLMBVVTTP-AWEZNQCLSA-N 1 0 305.422 2.116 20 70 DEIDRO CC(C)C[C@H]([NH3+])C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161302501 519367860 /nfs/dbraw/zinc/36/78/60/519367860.db2.gz ATIUBJAHWIFRSP-INIZCTEOSA-N 1 0 318.396 2.044 20 70 DEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccc(OC)cc1 ZINC000160332607 521654811 /nfs/dbraw/zinc/65/48/11/521654811.db2.gz XIDAUIROWXPPQY-ZDUSSCGKSA-N 1 0 312.360 2.388 20 70 DEIDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159651662 525122010 /nfs/dbraw/zinc/12/20/10/525122010.db2.gz SDGAKBOVMCPADF-NJAFHUGGSA-N 1 0 318.461 2.435 20 70 DEIDRO Cc1ccc(C(C)(C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160066315 526243058 /nfs/dbraw/zinc/24/30/58/526243058.db2.gz IHSQJEAQHGAUIP-QGZVFWFLSA-N 1 0 318.461 2.236 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccccc2Br)C1 ZINC000160890109 539588168 /nfs/dbraw/zinc/58/81/68/539588168.db2.gz PVSKNNYGTPKNKI-NEPJUHHUSA-N 1 0 311.223 2.378 20 70 DEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161163344 539589125 /nfs/dbraw/zinc/58/91/25/539589125.db2.gz WADGWYSANRMNLV-LSDHHAIUSA-N 1 0 312.417 2.489 20 70 DEIDRO Cc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ncn1 ZINC000161457606 539591738 /nfs/dbraw/zinc/59/17/38/539591738.db2.gz HMFMUSPFSAFUHA-QGZVFWFLSA-N 1 0 310.401 2.352 20 70 DEIDRO COc1cc(OC)c(C(=O)NCC2([NH3+])CCCCC2)cc1OC ZINC000159578470 186128396 /nfs/dbraw/zinc/12/83/96/186128396.db2.gz WKEINUUIGNOBCM-UHFFFAOYSA-N 1 0 322.405 2.104 20 70 DEIDRO c1cn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)cn1 ZINC000159577572 186128589 /nfs/dbraw/zinc/12/85/89/186128589.db2.gz LJVNPDJSZOVYRI-UAGQMJEPSA-N 1 0 310.401 2.315 20 70 DEIDRO C[C@H](CNC(=O)[C@H](C)[NH3+])Sc1ccc(Br)cc1 ZINC000159653099 186132794 /nfs/dbraw/zinc/13/27/94/186132794.db2.gz WBTTZYXPDCCOLA-BDAKNGLRSA-N 1 0 317.252 2.393 20 70 DEIDRO C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C[C@@H]1CCC[C@@H]1O ZINC000159739365 186138440 /nfs/dbraw/zinc/13/84/40/186138440.db2.gz KVAABUONNJGUFN-NHYWBVRUSA-N 1 0 303.358 2.091 20 70 DEIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159739118 186138504 /nfs/dbraw/zinc/13/85/04/186138504.db2.gz CDZLCWRMYOXMQW-DZGCQCFKSA-N 1 0 311.470 2.052 20 70 DEIDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000159511878 355961351 /nfs/dbraw/zinc/96/13/51/355961351.db2.gz XNCDWKMNLDYUSH-GFCCVEGCSA-N 1 0 319.430 2.404 20 70 DEIDRO CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160730848 355966797 /nfs/dbraw/zinc/96/67/97/355966797.db2.gz IXRWHUNSYWORGQ-IAGOWNOFSA-N 1 0 323.481 2.461 20 70 DEIDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161246911 197478077 /nfs/dbraw/zinc/47/80/77/197478077.db2.gz KOCYAMVBBBUVPT-OAGGEKHMSA-N 1 0 321.465 2.116 20 70 DEIDRO COCC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000160372712 197403953 /nfs/dbraw/zinc/40/39/53/197403953.db2.gz FOINRYOLQLITTN-HNNXBMFYSA-N 1 0 308.422 2.087 20 70 DEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccc(N(C)C)n1 ZINC000160240398 197395272 /nfs/dbraw/zinc/39/52/72/197395272.db2.gz APYOWPDVENAVRL-HOCLYGCPSA-N 1 0 311.433 2.475 20 70 DEIDRO Cc1nnc2ccc(N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nn12 ZINC000160242447 197394458 /nfs/dbraw/zinc/39/44/58/197394458.db2.gz FOCJIUVDAWSENW-BBRMVZONSA-N 1 0 322.416 2.365 20 70 DEIDRO CCS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160008329 197379455 /nfs/dbraw/zinc/37/94/55/197379455.db2.gz HYJWYFOIFPWSPV-ZBFHGGJFSA-N 1 0 310.463 2.321 20 70 DEIDRO Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)[NH3+])o2)cc1 ZINC000159924909 197373870 /nfs/dbraw/zinc/37/38/70/197373870.db2.gz ROWGOPMAQGUHDM-UHFFFAOYSA-N 1 0 301.390 2.436 20 70 DEIDRO CCN(CC)C(=O)CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159712664 197361519 /nfs/dbraw/zinc/36/15/19/197361519.db2.gz CRAXJEKAPGDAFG-UHFFFAOYSA-N 1 0 311.470 2.064 20 70 DEIDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159412557 197351163 /nfs/dbraw/zinc/35/11/63/197351163.db2.gz OEPRUDIPNBNHRR-AWEZNQCLSA-N 1 0 310.463 2.258 20 70 DEIDRO O=C(CCc1ccoc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160655556 144797475 /nfs/dbraw/zinc/79/74/75/144797475.db2.gz ZTDDBXUGKBHNGG-IAGOWNOFSA-N 1 0 320.433 2.096 20 70 DEIDRO CN1CCc2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc21 ZINC000159452540 402323850 /nfs/dbraw/zinc/32/38/50/402323850.db2.gz NMNZWTXEEDPHOS-SJORKVTESA-N 1 0 313.445 2.235 20 70 DEIDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1 ZINC000217268468 402291159 /nfs/dbraw/zinc/29/11/59/402291159.db2.gz MIQCLMCWKFONFU-NSHDSACASA-N 1 0 311.223 2.189 20 70 DEIDRO Cn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238541 402295359 /nfs/dbraw/zinc/29/53/59/402295359.db2.gz UAFIEMUKZDKSMG-CYBMUJFWSA-N 1 0 308.426 2.157 20 70 DEIDRO CO[C@@H](C)c1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000159609343 402326432 /nfs/dbraw/zinc/32/64/32/402326432.db2.gz SIRPJYUTZDUZGD-SDDRHHMPSA-N 1 0 309.435 2.125 20 70 DEIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160467470 402346928 /nfs/dbraw/zinc/34/69/28/402346928.db2.gz IYZUBOVMMOJKAR-MRXNPFEDSA-N 1 0 322.424 2.066 20 70 DEIDRO O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000160497550 402348108 /nfs/dbraw/zinc/34/81/08/402348108.db2.gz GNIJBKRYYPOUIS-ZDUSSCGKSA-N 1 0 308.447 2.055 20 70 DEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C2CCOCC2)c1C ZINC000160501050 402348284 /nfs/dbraw/zinc/34/82/84/402348284.db2.gz NOIAGUMWSXPUAU-ZDUSSCGKSA-N 1 0 322.453 2.003 20 70 DEIDRO CCC[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000160519478 402349497 /nfs/dbraw/zinc/34/94/97/402349497.db2.gz ZYYNJBGTYHQYQV-QGZVFWFLSA-N 1 0 319.449 2.329 20 70 DEIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160519762 402349534 /nfs/dbraw/zinc/34/95/34/402349534.db2.gz FCMRPRYIUAIWDK-AAEUAGOBSA-N 1 0 316.405 2.269 20 70 DEIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)cc1N(C)C ZINC000160600059 402353072 /nfs/dbraw/zinc/35/30/72/402353072.db2.gz WABPXLPCUPQZKR-VIFPVBQESA-N 1 0 321.318 2.221 20 70 DEIDRO Cc1nc2c(s1)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCC2 ZINC000160597700 402353103 /nfs/dbraw/zinc/35/31/03/402353103.db2.gz XFRSAAOFQBYIKD-QMMMGPOBSA-N 1 0 307.341 2.097 20 70 DEIDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160630657 402354257 /nfs/dbraw/zinc/35/42/57/402354257.db2.gz ALMFOIGCZGNWKX-ISVAXAHUSA-N 1 0 304.287 2.327 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(CCc3ccccc3)n2)C1 ZINC000160627317 402354399 /nfs/dbraw/zinc/35/43/99/402354399.db2.gz LLWWXRTVKXGWTR-CQSZACIVSA-N 1 0 315.442 2.362 20 70 DEIDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160630773 402354451 /nfs/dbraw/zinc/35/44/51/402354451.db2.gz ALMFOIGCZGNWKX-OQPBUACISA-N 1 0 304.287 2.327 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000160634892 402354854 /nfs/dbraw/zinc/35/48/54/402354854.db2.gz FKRCPAYNZWNMLE-AWEZNQCLSA-N 1 0 312.373 2.048 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000160669530 402356369 /nfs/dbraw/zinc/35/63/69/402356369.db2.gz MSZZLURFJCUCCP-HUUCEWRRSA-N 1 0 302.418 2.326 20 70 DEIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000160841357 402362417 /nfs/dbraw/zinc/36/24/17/402362417.db2.gz RKZBSAKTPFADSP-RTBURBONSA-N 1 0 324.424 2.465 20 70 DEIDRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000160968762 402367752 /nfs/dbraw/zinc/36/77/52/402367752.db2.gz FWXAJXPDKWOVGN-ZANVPECISA-N 1 0 317.216 2.143 20 70 DEIDRO CCC[C@@](C)(CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161016439 402369428 /nfs/dbraw/zinc/36/94/28/402369428.db2.gz RJMQQRSHBZJQBQ-WBVHZDCISA-N 1 0 313.486 2.347 20 70 DEIDRO O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@H]1CCC[NH2+]C1 ZINC000161040951 402370362 /nfs/dbraw/zinc/37/03/62/402370362.db2.gz NFYOQILUMSTLND-JQFCIGGWSA-N 1 0 318.417 2.307 20 70 DEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161083834 402372089 /nfs/dbraw/zinc/37/20/89/402372089.db2.gz MGJQWAIEFUXTJJ-MRVPVSSYSA-N 1 0 318.261 2.329 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000161481610 402388438 /nfs/dbraw/zinc/38/84/38/402388438.db2.gz RRYKWGUVGBGABB-UHFFFAOYSA-N 1 0 303.406 2.052 20 70 DEIDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000161167675 402375967 /nfs/dbraw/zinc/37/59/67/402375967.db2.gz PFSSOZZRCJFKSG-AWEZNQCLSA-N 1 0 307.404 2.477 20 70 DEIDRO CC[C@@H](CNC(=O)[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000161224169 402378148 /nfs/dbraw/zinc/37/81/48/402378148.db2.gz WNJXOOUEAIIRRS-GHMZBOCLSA-N 1 0 313.239 2.481 20 70 DEIDRO Cc1cc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n(C)n1 ZINC000161241846 402378846 /nfs/dbraw/zinc/37/88/46/402378846.db2.gz JSSNDNPLIVGHHD-UHFFFAOYSA-N 1 0 314.433 2.369 20 70 DEIDRO COc1ccc2nc(C)cc(C(=O)NC[C@H]3CC[N@H+](C)C3)c2c1 ZINC000161308509 402381941 /nfs/dbraw/zinc/38/19/41/402381941.db2.gz RTNAPRCSYSYHRO-CYBMUJFWSA-N 1 0 313.401 2.233 20 70 DEIDRO CC1CC[NH+](C2CCC(NC(=O)C3=COCCO3)CC2)CC1 ZINC000161503452 402389791 /nfs/dbraw/zinc/38/97/91/402389791.db2.gz YIANUINXGMAFOH-UHFFFAOYSA-N 1 0 308.422 2.034 20 70 DEIDRO COc1cc(CCC(=O)NC2CC[NH+](C)CC2)ccc1Cl ZINC000161075768 224721177 /nfs/dbraw/zinc/72/11/77/224721177.db2.gz KFHXLOBBJMYMMH-UHFFFAOYSA-N 1 0 310.825 2.492 20 70 DEIDRO CC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cnn(C)c1 ZINC000161453039 276533122 /nfs/dbraw/zinc/53/31/22/276533122.db2.gz ILIOFDRLHMLXCN-QGZVFWFLSA-N 1 0 314.433 2.498 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)CC2 ZINC000160509672 293554808 /nfs/dbraw/zinc/55/48/08/293554808.db2.gz BPURFPFCWWUGFH-SMDDNHRTSA-N 1 0 317.412 2.457 20 70 DEIDRO CC(C)c1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000161405385 519835080 /nfs/dbraw/zinc/83/50/80/519835080.db2.gz NEIFPRFLFUALOD-GJZGRUSLSA-N 1 0 319.449 2.434 20 70 DEIDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC000160900753 522026996 /nfs/dbraw/zinc/02/69/96/522026996.db2.gz LFZRIVKFGYSLFV-CYBMUJFWSA-N 1 0 320.433 2.488 20 70 DEIDRO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1C ZINC000159781217 522407716 /nfs/dbraw/zinc/40/77/16/522407716.db2.gz IEOIDNUPFUHWHB-TZMCWYRMSA-N 1 0 322.405 2.284 20 70 DEIDRO C[N@H+](CCCNC(=O)NO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161477870 522763604 /nfs/dbraw/zinc/76/36/04/522763604.db2.gz VEUZXKPQHZXBCL-MRXNPFEDSA-N 1 0 321.421 2.266 20 70 DEIDRO C[N@H+](CCCOCCc1ccccc1)[C@@H]1CCCCNC1=O ZINC000160299686 522778209 /nfs/dbraw/zinc/77/82/09/522778209.db2.gz IMEXIHLXJIKAAJ-QGZVFWFLSA-N 1 0 304.434 2.236 20 70 DEIDRO C[C@H]([NH3+])C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000161211119 524822820 /nfs/dbraw/zinc/82/28/20/524822820.db2.gz IGBAPJXQQREFDR-NSHDSACASA-N 1 0 317.414 2.306 20 70 DEIDRO COc1cccc(CO[C@@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159571309 526055469 /nfs/dbraw/zinc/05/54/69/526055469.db2.gz LTSLAEGWPNTVTG-AWEZNQCLSA-N 1 0 320.433 2.378 20 70 DEIDRO c1cc2c(s1)CCN(CC[NH2+]C1CCC3(CC1)OCCO3)C2 ZINC000161346310 526446493 /nfs/dbraw/zinc/44/64/93/526446493.db2.gz CNWSFPBHBJMOJU-UHFFFAOYSA-N 1 0 322.474 2.382 20 70 DEIDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000161323324 527412222 /nfs/dbraw/zinc/41/22/22/527412222.db2.gz JOYIZHUQZNVUOT-ZACQAIPSSA-N 1 0 302.418 2.179 20 70 DEIDRO CS[C@H]1CCC[C@@H](NC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000159571529 295667917 /nfs/dbraw/zinc/66/79/17/295667917.db2.gz WCKBNIBNGHSIQY-CABCVRRESA-N 1 0 304.459 2.273 20 70 DEIDRO CN(Cc1ccc(Cl)s1)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160013997 282177050 /nfs/dbraw/zinc/17/70/50/282177050.db2.gz DCPMQECUHVKGOH-LBPRGKRZSA-N 1 0 315.870 2.029 20 70 DEIDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160771168 539587996 /nfs/dbraw/zinc/58/79/96/539587996.db2.gz TYRLAKCGZLIXKR-IRXDYDNUSA-N 1 0 304.434 2.299 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000160887787 539588185 /nfs/dbraw/zinc/58/81/85/539588185.db2.gz DKVPJOPTMZJXRG-STQMWFEESA-N 1 0 322.380 2.183 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2nc(-c3cccs3)no2)C1 ZINC000160898646 539588290 /nfs/dbraw/zinc/58/82/90/539588290.db2.gz HCHWDCKBKPXSOV-WDEREUQCSA-N 1 0 320.418 2.117 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cccc(Br)c2)C1 ZINC000160885491 539588317 /nfs/dbraw/zinc/58/83/17/539588317.db2.gz OIWPCEVIQJHKHY-OLZOCXBDSA-N 1 0 311.223 2.378 20 70 DEIDRO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160743471 539586952 /nfs/dbraw/zinc/58/69/52/539586952.db2.gz SAGZRPKTDWZWFQ-LRDDRELGSA-N 1 0 306.406 2.115 20 70 DEIDRO COc1cc2c(c(C[NH+]3CCC(CC(N)=O)CC3)c1)O[C@H](C)C2 ZINC000159726301 186138105 /nfs/dbraw/zinc/13/81/05/186138105.db2.gz MPVVAEQURKEVHG-GFCCVEGCSA-N 1 0 318.417 2.106 20 70 DEIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(OC)nn2)C1 ZINC000159752372 186139704 /nfs/dbraw/zinc/13/97/04/186139704.db2.gz JHAMBVFESGAHLI-ZDUSSCGKSA-N 1 0 320.437 2.116 20 70 DEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000160649837 355965062 /nfs/dbraw/zinc/96/50/62/355965062.db2.gz SODJZQUEMYJXFY-CABCVRRESA-N 1 0 317.437 2.131 20 70 DEIDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCSC2(CCCCC2)C1 ZINC000161450390 283847413 /nfs/dbraw/zinc/84/74/13/283847413.db2.gz AMNVTPCYHAMNHD-CQSZACIVSA-N 1 0 312.479 2.033 20 70 DEIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160216708 197393025 /nfs/dbraw/zinc/39/30/25/197393025.db2.gz OPCMLMCATOWPAK-ZWNOBZJWSA-N 1 0 300.324 2.444 20 70 DEIDRO O=C([C@@H]1OCCc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000160148389 197389236 /nfs/dbraw/zinc/38/92/36/197389236.db2.gz TTZIWEIFADBBKY-GOSISDBHSA-N 1 0 314.429 2.291 20 70 DEIDRO C[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160066174 197383822 /nfs/dbraw/zinc/38/38/22/197383822.db2.gz HNBMITXOFBQGSH-KGLIPLIRSA-N 1 0 303.324 2.330 20 70 DEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000159474365 197355728 /nfs/dbraw/zinc/35/57/28/197355728.db2.gz QDRYTECVKVPXKX-ABAIWWIYSA-N 1 0 310.825 2.433 20 70 DEIDRO COC[C@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000159440012 197353251 /nfs/dbraw/zinc/35/32/51/197353251.db2.gz HUOORQHOTNXTCH-JSGCOSHPSA-N 1 0 308.378 2.067 20 70 DEIDRO Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000217139706 132550096 /nfs/dbraw/zinc/55/00/96/132550096.db2.gz LMVLYKLKZKXGLZ-QZTJIDSGSA-N 1 0 320.477 2.378 20 70 DEIDRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCCCC1 ZINC000159514836 402324625 /nfs/dbraw/zinc/32/46/25/402324625.db2.gz GBMFQWIPVYWRKM-CYBMUJFWSA-N 1 0 319.380 2.029 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2cscn2)CC1 ZINC000159572013 402325704 /nfs/dbraw/zinc/32/57/04/402325704.db2.gz DALJJNOEYVZJDU-UHFFFAOYSA-N 1 0 310.467 2.201 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159593563 402326287 /nfs/dbraw/zinc/32/62/87/402326287.db2.gz XHMMIPSDVIABRM-GXTWGEPZSA-N 1 0 318.446 2.130 20 70 DEIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)n1-c1nccs1 ZINC000160315649 402340680 /nfs/dbraw/zinc/34/06/80/402340680.db2.gz YHEYWKDJXWDSFQ-GFCCVEGCSA-N 1 0 304.419 2.114 20 70 DEIDRO Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000160412131 402344959 /nfs/dbraw/zinc/34/49/59/402344959.db2.gz BHFVUOIMSVIVEY-ZOBUZTSGSA-N 1 0 302.418 2.426 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@H]1CCOC1 ZINC000160436381 402345509 /nfs/dbraw/zinc/34/55/09/402345509.db2.gz POQXHSCCTREMGC-QAPCUYQASA-N 1 0 304.434 2.033 20 70 DEIDRO Cc1cc(NC(=O)CN2CCC[C@H]2c2cccc(C)n2)no1 ZINC000160445414 402346065 /nfs/dbraw/zinc/34/60/65/402346065.db2.gz GSWNXFBIPQUSDS-AWEZNQCLSA-N 1 0 300.362 2.462 20 70 DEIDRO CC(=O)Nc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160456825 402346461 /nfs/dbraw/zinc/34/64/61/402346461.db2.gz HYTPWZDAOGKJGP-QGZVFWFLSA-N 1 0 317.433 2.495 20 70 DEIDRO CCC[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000160472483 402346949 /nfs/dbraw/zinc/34/69/49/402346949.db2.gz MTHNEQOXYMIUEP-HNNXBMFYSA-N 1 0 311.470 2.460 20 70 DEIDRO COC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(C)C ZINC000160486558 402347796 /nfs/dbraw/zinc/34/77/96/402347796.db2.gz OPFXFUPQECQPJH-GOSISDBHSA-N 1 0 306.450 2.279 20 70 DEIDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C(C)=O)cn1C ZINC000160533250 402350110 /nfs/dbraw/zinc/35/01/10/402350110.db2.gz UGVQLWUQCQMEAG-UHFFFAOYSA-N 1 0 307.438 2.422 20 70 DEIDRO CC(C)CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)nn1 ZINC000160579637 402351796 /nfs/dbraw/zinc/35/17/96/402351796.db2.gz FLMIPWFWWLDOFE-OAHLLOKOSA-N 1 0 321.469 2.174 20 70 DEIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC[C@@H]21 ZINC000160587881 402352685 /nfs/dbraw/zinc/35/26/85/402352685.db2.gz WLRVPHOIIDLYEF-NCOADZHNSA-N 1 0 321.465 2.070 20 70 DEIDRO CCCNC(=O)c1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160596378 402353316 /nfs/dbraw/zinc/35/33/16/402353316.db2.gz CUQXARPXQRIETB-WMLDXEAASA-N 1 0 303.450 2.256 20 70 DEIDRO C[N@H+](CC(=O)NCCc1cc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000161446919 402387497 /nfs/dbraw/zinc/38/74/97/402387497.db2.gz AKZAXXIHQLGSIB-OAHLLOKOSA-N 1 0 317.458 2.264 20 70 DEIDRO CN(C)c1cccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000160613759 402353975 /nfs/dbraw/zinc/35/39/75/402353975.db2.gz RUWSVQDGEYSNMS-INIZCTEOSA-N 1 0 321.490 2.148 20 70 DEIDRO CC(=O)Nc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160674000 402356951 /nfs/dbraw/zinc/35/69/51/402356951.db2.gz HXCGUXBPLBNRPD-NWOVIEQLSA-N 1 0 313.401 2.011 20 70 DEIDRO COc1cccc(C[N@H+](CC(OC)OC)C[C@H]2CCCO2)c1 ZINC000160699581 402357425 /nfs/dbraw/zinc/35/74/25/402357425.db2.gz FJKBHBRBLRAMCN-MRXNPFEDSA-N 1 0 309.406 2.295 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000160712955 402357926 /nfs/dbraw/zinc/35/79/26/402357926.db2.gz NFBUZFQALPCJEQ-HNNXBMFYSA-N 1 0 311.385 2.095 20 70 DEIDRO COC(C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831551 402362071 /nfs/dbraw/zinc/36/20/71/402362071.db2.gz UMQIMQFLDWGXJR-STQMWFEESA-N 1 0 316.442 2.373 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCOc2ccc(F)c(F)c2)CC1 ZINC000161451181 402388109 /nfs/dbraw/zinc/38/81/09/402388109.db2.gz OFCBLDVLEVOTRB-UHFFFAOYSA-N 1 0 312.360 2.381 20 70 DEIDRO C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111661 402373532 /nfs/dbraw/zinc/37/35/32/402373532.db2.gz QYIAIFVQBHWEIR-SMDDNHRTSA-N 1 0 307.825 2.493 20 70 DEIDRO CS[C@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161122621 402374062 /nfs/dbraw/zinc/37/40/62/402374062.db2.gz DMKHZGKFGUTJFQ-JYJNAYRXSA-N 1 0 304.459 2.491 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2F)c1 ZINC000161233182 402378133 /nfs/dbraw/zinc/37/81/33/402378133.db2.gz SJADMNYSJPDYAA-GFCCVEGCSA-N 1 0 302.353 2.258 20 70 DEIDRO CC(=O)Nc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161285870 402380994 /nfs/dbraw/zinc/38/09/94/402380994.db2.gz OWYCPVSGJYJKKV-UHFFFAOYSA-N 1 0 303.406 2.182 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161328247 402382905 /nfs/dbraw/zinc/38/29/05/402382905.db2.gz ONDMTEFUPTYBKQ-IAGOWNOFSA-N 1 0 302.418 2.194 20 70 DEIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000159717003 402328940 /nfs/dbraw/zinc/32/89/40/402328940.db2.gz LVBYMWRTRXHAEG-UHFFFAOYSA-N 1 0 317.389 2.114 20 70 DEIDRO CCN(C(=O)CC[NH2+]C(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000159771337 402330180 /nfs/dbraw/zinc/33/01/80/402330180.db2.gz WEOKZHCDILFGCR-INIZCTEOSA-N 1 0 317.433 2.029 20 70 DEIDRO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000159764139 402330309 /nfs/dbraw/zinc/33/03/09/402330309.db2.gz JVTOKSDXGKVKFC-LSDHHAIUSA-N 1 0 320.433 2.061 20 70 DEIDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(=O)n3ccccc3n2)c1 ZINC000159763100 402330323 /nfs/dbraw/zinc/33/03/23/402330323.db2.gz VVQJRYSWZXBFCN-UHFFFAOYSA-N 1 0 322.412 2.393 20 70 DEIDRO Cc1cc(C)c2ncc(C(=O)NC3CC[NH+](C)CC3)c(O)c2c1 ZINC000161501725 402390032 /nfs/dbraw/zinc/39/00/32/402390032.db2.gz KLLMLRIOZCGVDV-UHFFFAOYSA-N 1 0 313.401 2.381 20 70 DEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccc(N(C)C)n1 ZINC000160240274 274355455 /nfs/dbraw/zinc/35/54/55/274355455.db2.gz APYOWPDVENAVRL-ZBFHGGJFSA-N 1 0 311.433 2.475 20 70 DEIDRO COCc1nc(C)cc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160440834 293330654 /nfs/dbraw/zinc/33/06/54/293330654.db2.gz VHNBXHLYJBILFX-OAHLLOKOSA-N 1 0 304.438 2.386 20 70 DEIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000160596986 519903731 /nfs/dbraw/zinc/90/37/31/519903731.db2.gz RMUKRTVJCSMUPU-ZDUSSCGKSA-N 1 0 300.406 2.411 20 70 DEIDRO CCc1ccc([C@H](CNC(=O)NCC[C@@H](O)CC)[NH+](C)C)cc1 ZINC000160745321 524048646 /nfs/dbraw/zinc/04/86/46/524048646.db2.gz ZXWJBPSPPOWXJJ-IRXDYDNUSA-N 1 0 321.465 2.312 20 70 DEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](O)c2ccccc2Cl)C1 ZINC000159542939 524225038 /nfs/dbraw/zinc/22/50/38/524225038.db2.gz WEDXPQYKSJUJHT-IUODEOHRSA-N 1 0 310.825 2.222 20 70 DEIDRO C[C@H](CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])Oc1ccc(F)cc1 ZINC000161122551 524454320 /nfs/dbraw/zinc/45/43/20/524454320.db2.gz KJMHLKFKYQVTPN-SEQRPAEDSA-N 1 0 306.381 2.083 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160575658 525544901 /nfs/dbraw/zinc/54/49/01/525544901.db2.gz IEPWNAHLRQHTNQ-SWLSCSKDSA-N 1 0 318.446 2.130 20 70 DEIDRO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160405986 526939890 /nfs/dbraw/zinc/93/98/90/526939890.db2.gz AUBUMCAFSLFRFA-WBVHZDCISA-N 1 0 321.465 2.214 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000161356201 539591209 /nfs/dbraw/zinc/59/12/09/539591209.db2.gz KDZPHIJAWNWDPR-DZGCQCFKSA-N 1 0 301.390 2.035 20 70 DEIDRO c1ncn(-c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)n1 ZINC000159642246 186132303 /nfs/dbraw/zinc/13/23/03/186132303.db2.gz OYXJAZYSTSBYJP-IKGGRYGDSA-N 1 0 310.401 2.315 20 70 DEIDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc12 ZINC000159526408 355961829 /nfs/dbraw/zinc/96/18/29/355961829.db2.gz DIQPOFKTFSJDAF-BMFZPTHFSA-N 1 0 312.417 2.324 20 70 DEIDRO O=C(NCCCNc1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160731749 355966425 /nfs/dbraw/zinc/96/64/25/355966425.db2.gz GTMUTRHOFLYCFM-KRWDZBQOSA-N 1 0 316.449 2.272 20 70 DEIDRO C[C@@H](CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])Oc1ccc(F)cc1 ZINC000161122209 197466994 /nfs/dbraw/zinc/46/69/94/197466994.db2.gz KJMHLKFKYQVTPN-GNNBREFNSA-N 1 0 306.381 2.083 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)C1CCCCC1 ZINC000160299573 197398467 /nfs/dbraw/zinc/39/84/67/197398467.db2.gz UOCHOZCHTBVEJV-DOTOQJQBSA-N 1 0 311.470 2.053 20 70 DEIDRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000160224626 197394121 /nfs/dbraw/zinc/39/41/21/197394121.db2.gz SAWKJRBPDADZLF-GTNSWQLSSA-N 1 0 313.401 2.226 20 70 DEIDRO CCC[C@@H]([NH2+][C@H](C)COC)C(=O)N1CCc2sccc2C1 ZINC000160206975 197392756 /nfs/dbraw/zinc/39/27/56/197392756.db2.gz LISACHJIEPRHLC-TZMCWYRMSA-N 1 0 310.463 2.426 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159960132 197377119 /nfs/dbraw/zinc/37/71/19/197377119.db2.gz WVIGDABBZMVARU-UHFFFAOYSA-N 1 0 322.453 2.400 20 70 DEIDRO CC[C@H]1CCCCN1C(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159664845 291657251 /nfs/dbraw/zinc/65/72/51/291657251.db2.gz FAQVPFPUDZEMIR-AWEZNQCLSA-N 1 0 312.454 2.347 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2F)c1 ZINC000159778863 197363637 /nfs/dbraw/zinc/36/36/37/197363637.db2.gz RQWVTJOKQXPDMA-GFCCVEGCSA-N 1 0 302.353 2.400 20 70 DEIDRO Cc1ccsc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159436517 197353113 /nfs/dbraw/zinc/35/31/13/197353113.db2.gz SKDBETUWUBAYGI-ZDUSSCGKSA-N 1 0 316.492 2.350 20 70 DEIDRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)C[NH+]1CCCC1 ZINC000159377904 197350067 /nfs/dbraw/zinc/35/00/67/197350067.db2.gz XLXOAFPMUQKWPH-CYBMUJFWSA-N 1 0 307.413 2.353 20 70 DEIDRO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159401251 197350595 /nfs/dbraw/zinc/35/05/95/197350595.db2.gz LVNFYKKBUIQGKX-AWEZNQCLSA-N 1 0 314.307 2.411 20 70 DEIDRO COCCC1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161018742 284859003 /nfs/dbraw/zinc/85/90/03/284859003.db2.gz HYUWYLBMFZADSX-HNNXBMFYSA-N 1 0 309.454 2.073 20 70 DEIDRO CC(C)COC[C@@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159424284 402323331 /nfs/dbraw/zinc/32/33/31/402323331.db2.gz ZKDVAPJSHHGMTQ-PKOBYXMFSA-N 1 0 319.445 2.194 20 70 DEIDRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160297809 402339762 /nfs/dbraw/zinc/33/97/62/402339762.db2.gz GTBQMJKRRSSEKE-SNVBAGLBSA-N 1 0 309.435 2.214 20 70 DEIDRO Cc1ccc(N2CC[C@@H](N3CC[C@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000160338520 402341536 /nfs/dbraw/zinc/34/15/36/402341536.db2.gz AWEYKVWTBNUMDG-ZWKOTPCHSA-N 1 0 313.445 2.270 20 70 DEIDRO CCSCCN1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000160408113 402344078 /nfs/dbraw/zinc/34/40/78/402344078.db2.gz DUUSEYDNYWVFQW-UHFFFAOYSA-N 1 0 314.401 2.476 20 70 DEIDRO CC(C)c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(N(C)C)n1 ZINC000160405850 402344326 /nfs/dbraw/zinc/34/43/26/402344326.db2.gz ADAMCZIAXUTTKK-OLZOCXBDSA-N 1 0 305.426 2.431 20 70 DEIDRO COc1ccncc1NC(=O)c1cnn(C2CCOCC2)c1C ZINC000160452055 402345843 /nfs/dbraw/zinc/34/58/43/402345843.db2.gz KGBHAJJLRXKJDU-UHFFFAOYSA-N 1 0 316.361 2.199 20 70 DEIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@H](C)O1 ZINC000160466599 402346660 /nfs/dbraw/zinc/34/66/60/402346660.db2.gz YFYCWGYXDCWMMF-SCRDCRAPSA-N 1 0 310.829 2.208 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)OCO2 ZINC000160492030 402347920 /nfs/dbraw/zinc/34/79/20/402347920.db2.gz BWANNZOFWVLPPP-CQSZACIVSA-N 1 0 304.390 2.266 20 70 DEIDRO Cc1ccccc1[C@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160582857 402352398 /nfs/dbraw/zinc/35/23/98/402352398.db2.gz ALBJFBFFAUMBTA-IAGOWNOFSA-N 1 0 318.461 2.452 20 70 DEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000160631531 402354328 /nfs/dbraw/zinc/35/43/28/402354328.db2.gz JPEKIZVICVKUTI-SJORKVTESA-N 1 0 320.408 2.323 20 70 DEIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)n1C1CC1 ZINC000160643816 402354832 /nfs/dbraw/zinc/35/48/32/402354832.db2.gz YAYYHTBEBYZXAD-MRXNPFEDSA-N 1 0 319.449 2.016 20 70 DEIDRO CC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1nc(C)cs1 ZINC000161440583 402387596 /nfs/dbraw/zinc/38/75/96/402387596.db2.gz DFGOZKNQLIPKTR-NEPJUHHUSA-N 1 0 304.419 2.478 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000160816476 402361191 /nfs/dbraw/zinc/36/11/91/402361191.db2.gz LXFJOHXVUOAVJT-KRWDZBQOSA-N 1 0 318.465 2.352 20 70 DEIDRO COC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160828436 402362108 /nfs/dbraw/zinc/36/21/08/402362108.db2.gz PGYWILBDDALKGU-CABCVRRESA-N 1 0 309.454 2.071 20 70 DEIDRO O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[NH2+]CC1 ZINC000160833959 402362371 /nfs/dbraw/zinc/36/23/71/402362371.db2.gz FZZCCGJERZTAIA-UHFFFAOYSA-N 1 0 305.378 2.385 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000160871908 402363689 /nfs/dbraw/zinc/36/36/89/402363689.db2.gz VXQKIMLQNDDODW-UHFFFAOYSA-N 1 0 313.423 2.388 20 70 DEIDRO O=C([C@H]1CCC[NH2+]C1)N1CCc2cccc(Br)c2C1 ZINC000160917580 402365204 /nfs/dbraw/zinc/36/52/04/402365204.db2.gz YTKUWDWQVDFDIM-LBPRGKRZSA-N 1 0 323.234 2.333 20 70 DEIDRO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160943085 402366535 /nfs/dbraw/zinc/36/65/35/402366535.db2.gz WILZZZDMCVNCLQ-MRXNPFEDSA-N 1 0 317.433 2.029 20 70 DEIDRO CC(C)C[C@@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160962278 402367171 /nfs/dbraw/zinc/36/71/71/402367171.db2.gz MYKDFFFIJKBRBE-JKSUJKDBSA-N 1 0 313.486 2.203 20 70 DEIDRO CCC[C@](C)(CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161016552 402369212 /nfs/dbraw/zinc/36/92/12/402369212.db2.gz RJMQQRSHBZJQBQ-NVXWUHKLSA-N 1 0 313.486 2.347 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000161043707 402370237 /nfs/dbraw/zinc/37/02/37/402370237.db2.gz HBSHJRUWHAUDKK-AWEZNQCLSA-N 1 0 304.390 2.218 20 70 DEIDRO CC(C)[NH+](CCS[C@@H]1CCN(c2cnn(C)c2)C1=O)C(C)C ZINC000161077699 402372141 /nfs/dbraw/zinc/37/21/41/402372141.db2.gz JKAGQJVBHOYOQX-OAHLLOKOSA-N 1 0 324.494 2.377 20 70 DEIDRO COCCC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000161119078 402373409 /nfs/dbraw/zinc/37/34/09/402373409.db2.gz OBUXQKFKAHRSER-MRXNPFEDSA-N 1 0 323.481 2.463 20 70 DEIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161158681 402375243 /nfs/dbraw/zinc/37/52/43/402375243.db2.gz CXAVLHXFAMVUGF-OAGGEKHMSA-N 1 0 323.481 2.173 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000161190717 402376846 /nfs/dbraw/zinc/37/68/46/402376846.db2.gz CGBFMQQGZGWMAP-UHFFFAOYSA-N 1 0 305.378 2.347 20 70 DEIDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000161405510 402386253 /nfs/dbraw/zinc/38/62/53/402386253.db2.gz QDOAYZUZCLZBDN-LLVKDONJSA-N 1 0 313.829 2.416 20 70 DEIDRO CCCC1(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCC1 ZINC000160014381 402334853 /nfs/dbraw/zinc/33/48/53/402334853.db2.gz YNUKHNMJBGTZFU-UHFFFAOYSA-N 1 0 324.513 2.282 20 70 DEIDRO O=C([C@H]1CCC[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000159995134 275008268 /nfs/dbraw/zinc/00/82/68/275008268.db2.gz NWBNGUNFKCDWJP-NSHDSACASA-N 1 0 309.207 2.338 20 70 DEIDRO CC(C)Oc1cccc([C@@H](O)CNC(=O)C2([NH3+])CCCCC2)c1 ZINC000160964780 279730056 /nfs/dbraw/zinc/73/00/56/279730056.db2.gz KIXWJNJGPKBZQE-INIZCTEOSA-N 1 0 320.433 2.285 20 70 DEIDRO COc1cc2c(cc1C[NH2+]C[C@](C)(O)CSC)O[C@H](C)C2 ZINC000217847918 337319370 /nfs/dbraw/zinc/31/93/70/337319370.db2.gz ZMXOSJNIQCRNOL-BZNIZROVSA-N 1 0 311.447 2.222 20 70 DEIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160360225 519715700 /nfs/dbraw/zinc/71/57/00/519715700.db2.gz FCURBNXEDGUSII-HOTGVXAUSA-N 1 0 311.470 2.173 20 70 DEIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160360335 519715708 /nfs/dbraw/zinc/71/57/08/519715708.db2.gz FCURBNXEDGUSII-HZPDHXFCSA-N 1 0 311.470 2.173 20 70 DEIDRO CC(C)NC(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160486287 519716860 /nfs/dbraw/zinc/71/68/60/519716860.db2.gz FMPLLTRYQPJDFV-UHFFFAOYSA-N 1 0 317.433 2.041 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159651392 521112318 /nfs/dbraw/zinc/11/23/18/521112318.db2.gz ARADMJGJGFLTNQ-LBPRGKRZSA-N 1 0 322.796 2.176 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cccc(F)c1)C(=O)OC ZINC000159669667 521440296 /nfs/dbraw/zinc/44/02/96/521440296.db2.gz PWSYIMSFVVKYFA-UHFFFAOYSA-N 1 0 310.369 2.333 20 70 DEIDRO C[N@H+](CCn1ccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000159868286 523008444 /nfs/dbraw/zinc/00/84/44/523008444.db2.gz ONGNLPRLNUYCIK-UHFFFAOYSA-N 1 0 308.426 2.214 20 70 DEIDRO C[C@H]1OCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000159901186 525020619 /nfs/dbraw/zinc/02/06/19/525020619.db2.gz ZMBHFJICVKNSLW-UONOGXRCSA-N 1 0 305.422 2.067 20 70 DEIDRO CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccncc1C ZINC000159611163 539582993 /nfs/dbraw/zinc/58/29/93/539582993.db2.gz CKIRPFAPAGXGFL-UHFFFAOYSA-N 1 0 308.407 2.049 20 70 DEIDRO CCN(C)C(=O)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159678014 186134882 /nfs/dbraw/zinc/13/48/82/186134882.db2.gz QVOFCPRGXBRLSY-SFHVURJKSA-N 1 0 302.418 2.029 20 70 DEIDRO CCC(CC)N(CCOC)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160754109 355966116 /nfs/dbraw/zinc/96/61/16/355966116.db2.gz IMXXXARRPJNOBP-HNNXBMFYSA-N 1 0 311.470 2.317 20 70 DEIDRO C[C@H](O)[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160935050 355967882 /nfs/dbraw/zinc/96/78/82/355967882.db2.gz BNNNFNSHQSEKAQ-HOCLYGCPSA-N 1 0 310.482 2.364 20 70 DEIDRO C[C@@H](CNC(=O)NCc1ccccc1CO)C[NH+]1CCCCC1 ZINC000161117267 355967888 /nfs/dbraw/zinc/96/78/88/355967888.db2.gz SZQSUNAKFPMTGI-HNNXBMFYSA-N 1 0 319.449 2.100 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000161178658 197472596 /nfs/dbraw/zinc/47/25/96/197472596.db2.gz OQZQVYCZBXXXEN-UHFFFAOYSA-N 1 0 317.433 2.195 20 70 DEIDRO Cc1ccc(SCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160176767 197391706 /nfs/dbraw/zinc/39/17/06/197391706.db2.gz OSBKZNPGGGSBPG-OAHLLOKOSA-N 1 0 322.474 2.050 20 70 DEIDRO CC[N@H+](CCNC(=O)c1cc2c([nH]c1=O)CCCCC2)C(C)C ZINC000160175620 197391417 /nfs/dbraw/zinc/39/14/17/197391417.db2.gz XWACWNMEYLJGKL-UHFFFAOYSA-N 1 0 319.449 2.104 20 70 DEIDRO O=S(=O)(c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160165726 197390715 /nfs/dbraw/zinc/39/07/15/197390715.db2.gz ZVSKXOJXYCDKKO-HNNXBMFYSA-N 1 0 308.447 2.326 20 70 DEIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160117642 197386887 /nfs/dbraw/zinc/38/68/87/197386887.db2.gz VNQJZFVLSCGQNX-CYBMUJFWSA-N 1 0 311.447 2.293 20 70 DEIDRO CCOc1ccc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1OCC ZINC000160017712 197380392 /nfs/dbraw/zinc/38/03/92/197380392.db2.gz PQKPDVIAIQNNDI-CSKARUKUSA-N 1 0 306.406 2.351 20 70 DEIDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838283 197368486 /nfs/dbraw/zinc/36/84/86/197368486.db2.gz UKRWFHDKJBAFPM-NXEZZACHSA-N 1 0 304.312 2.413 20 70 DEIDRO CCCN(CC[NH+](C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000159395239 291653452 /nfs/dbraw/zinc/65/34/52/291653452.db2.gz UWWLYYCCUZASHJ-UHFFFAOYSA-N 1 0 302.340 2.447 20 70 DEIDRO C[NH+](C)CC(C)(C)CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000159579145 291656146 /nfs/dbraw/zinc/65/61/46/291656146.db2.gz STCZAPWLWFDVOK-UHFFFAOYSA-N 1 0 322.453 2.364 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000159771116 197362791 /nfs/dbraw/zinc/36/27/91/197362791.db2.gz GQNMJRFIMCWOGJ-GFCCVEGCSA-N 1 0 322.453 2.426 20 70 DEIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000159537165 197360997 /nfs/dbraw/zinc/36/09/97/197360997.db2.gz WHAPQMRHUFQZLC-BBWFWOEESA-N 1 0 302.418 2.188 20 70 DEIDRO O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[NH2+]CC1 ZINC000159391769 197350795 /nfs/dbraw/zinc/35/07/95/197350795.db2.gz BLXLGFDSUAFZGP-UHFFFAOYSA-N 1 0 314.360 2.450 20 70 DEIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1 ZINC000161212564 284815839 /nfs/dbraw/zinc/81/58/39/284815839.db2.gz IDVCZXLZYALJEI-PBHICJAKSA-N 1 0 323.437 2.219 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)N[C@H](CO)c1ccc(CC)cc1 ZINC000159412628 402323488 /nfs/dbraw/zinc/32/34/88/402323488.db2.gz YPUFQXIJHFFBLR-QGZVFWFLSA-N 1 0 321.465 2.314 20 70 DEIDRO CCc1nnc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)[nH]1 ZINC000160313630 402340284 /nfs/dbraw/zinc/34/02/84/402340284.db2.gz CYIMKERSJCELJO-JTQLQIEISA-N 1 0 320.393 2.244 20 70 DEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160365215 402342954 /nfs/dbraw/zinc/34/29/54/402342954.db2.gz CYGLSAVDVBIRTR-JTQLQIEISA-N 1 0 321.347 2.297 20 70 DEIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000160412428 402344975 /nfs/dbraw/zinc/34/49/75/402344975.db2.gz FTGPSRFRDBKYOS-DUVNUKRYSA-N 1 0 313.401 2.431 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160494360 402348292 /nfs/dbraw/zinc/34/82/92/402348292.db2.gz BTRHHNGKRSEGDW-HNNXBMFYSA-N 1 0 304.390 2.263 20 70 DEIDRO Oc1cccc(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000160504196 402348809 /nfs/dbraw/zinc/34/88/09/402348809.db2.gz OMCYYFSHDLQUJC-UHFFFAOYSA-N 1 0 303.450 2.390 20 70 DEIDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCOC1 ZINC000160676846 402356762 /nfs/dbraw/zinc/35/67/62/402356762.db2.gz KKILRAPHCLLTBR-XIRDDKMYSA-N 1 0 302.418 2.365 20 70 DEIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000160690810 402357375 /nfs/dbraw/zinc/35/73/75/402357375.db2.gz SPLKHEFDRYXMTJ-CABCVRRESA-N 1 0 323.437 2.267 20 70 DEIDRO C[NH+]1CCC(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000160714076 402357820 /nfs/dbraw/zinc/35/78/20/402357820.db2.gz WCLUZJXOOKMCHP-QGZVFWFLSA-N 1 0 316.449 2.367 20 70 DEIDRO CN(CCc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160898561 402364594 /nfs/dbraw/zinc/36/45/94/402364594.db2.gz UCNVUPOARLKHDQ-INIZCTEOSA-N 1 0 316.449 2.282 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161083562 402372297 /nfs/dbraw/zinc/37/22/97/402372297.db2.gz JROATYGTICCQBR-SSDOTTSWSA-N 1 0 306.250 2.457 20 70 DEIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000161101370 402372643 /nfs/dbraw/zinc/37/26/43/402372643.db2.gz MLKVJNIMJBVPCJ-NSHDSACASA-N 1 0 312.845 2.098 20 70 DEIDRO CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161122758 402374002 /nfs/dbraw/zinc/37/40/02/402374002.db2.gz DMKHZGKFGUTJFQ-OAGGEKHMSA-N 1 0 304.459 2.491 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(Br)cs1 ZINC000161166470 402375919 /nfs/dbraw/zinc/37/59/19/402375919.db2.gz DPYIIGHKTFBTGE-SECBINFHSA-N 1 0 303.225 2.335 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000161185027 402376785 /nfs/dbraw/zinc/37/67/85/402376785.db2.gz LITNZKIWCXXGBU-ZDUSSCGKSA-N 1 0 311.451 2.407 20 70 DEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161192447 402376993 /nfs/dbraw/zinc/37/69/93/402376993.db2.gz MQRLCNIIKQCDGO-ZDUSSCGKSA-N 1 0 324.306 2.098 20 70 DEIDRO C[C@@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CCC[NH2+]C1 ZINC000161331651 402383195 /nfs/dbraw/zinc/38/31/95/402383195.db2.gz VUNTXZNRMULNQZ-JSGCOSHPSA-N 1 0 320.437 2.268 20 70 DEIDRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1C[NH2+]CCO1 ZINC000161335790 402383581 /nfs/dbraw/zinc/38/35/81/402383581.db2.gz MJGSKOWHRRKAMG-OAHLLOKOSA-N 1 0 308.353 2.074 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c[nH]c1=O ZINC000159675167 402328051 /nfs/dbraw/zinc/32/80/51/402328051.db2.gz RROMXCLPMPEOBL-CYBMUJFWSA-N 1 0 303.406 2.276 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000159670096 402328461 /nfs/dbraw/zinc/32/84/61/402328461.db2.gz OXRHEWQEQDJENG-ZIAGYGMSSA-N 1 0 312.454 2.250 20 70 DEIDRO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000159764239 402330303 /nfs/dbraw/zinc/33/03/03/402330303.db2.gz JVTOKSDXGKVKFC-HUUCEWRRSA-N 1 0 320.433 2.061 20 70 DEIDRO C[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159883724 402333011 /nfs/dbraw/zinc/33/30/11/402333011.db2.gz QTSFKULCQGABEZ-VYDXJSESSA-N 1 0 317.433 2.080 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000159998375 402334841 /nfs/dbraw/zinc/33/48/41/402334841.db2.gz PZFPFOUZSMZDRP-UONOGXRCSA-N 1 0 309.454 2.118 20 70 DEIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCOC1 ZINC000160202819 402338277 /nfs/dbraw/zinc/33/82/77/402338277.db2.gz HUSKGZVCFXMTBH-VNHYZAJKSA-N 1 0 306.381 2.336 20 70 DEIDRO CCCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160209317 402338322 /nfs/dbraw/zinc/33/83/22/402338322.db2.gz QSHCJHCSPZKXON-QGZVFWFLSA-N 1 0 304.434 2.216 20 70 DEIDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161036120 519817626 /nfs/dbraw/zinc/81/76/26/519817626.db2.gz QLOFIXDEQJMYAT-INIZCTEOSA-N 1 0 306.406 2.414 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160937698 521115229 /nfs/dbraw/zinc/11/52/29/521115229.db2.gz MYCAGFSGUMHFHB-NSHDSACASA-N 1 0 308.769 2.134 20 70 DEIDRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159574297 521574309 /nfs/dbraw/zinc/57/43/09/521574309.db2.gz LUKLALHOHDQINR-LLVKDONJSA-N 1 0 308.426 2.178 20 70 DEIDRO CC[NH+]1CCC(NC(=O)NCc2cc(C)cc(OC)c2)CC1 ZINC000159573596 521574826 /nfs/dbraw/zinc/57/48/26/521574826.db2.gz OYTNGXIAVRPASH-UHFFFAOYSA-N 1 0 305.422 2.287 20 70 DEIDRO COc1cc(C)cc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159998108 522239279 /nfs/dbraw/zinc/23/92/79/522239279.db2.gz FFYRFSPSARQTKT-UKRRQHHQSA-N 1 0 317.433 2.428 20 70 DEIDRO C[NH+]1CCC(C(=O)NCCc2csc(C(C)(C)C)n2)CC1 ZINC000160777473 523750432 /nfs/dbraw/zinc/75/04/32/523750432.db2.gz RZQIWYJAEQPDCH-UHFFFAOYSA-N 1 0 309.479 2.441 20 70 DEIDRO CCc1ccc([C@@H](CNC(=O)NCC[C@H](O)CC)[NH+](C)C)cc1 ZINC000160744932 524029701 /nfs/dbraw/zinc/02/97/01/524029701.db2.gz ZXWJBPSPPOWXJJ-IAGOWNOFSA-N 1 0 321.465 2.312 20 70 DEIDRO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160488543 524662985 /nfs/dbraw/zinc/66/29/85/524662985.db2.gz CRWIWKAOGINPKH-OAHLLOKOSA-N 1 0 320.433 2.311 20 70 DEIDRO CCC(C)(CC)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000159400469 539581877 /nfs/dbraw/zinc/58/18/77/539581877.db2.gz AYUYASLMGLCCKI-UHFFFAOYSA-N 1 0 307.438 2.465 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000161080629 539588984 /nfs/dbraw/zinc/58/89/84/539588984.db2.gz LGMSLMDCAGHBEC-QWHCGFSZSA-N 1 0 302.353 2.011 20 70 DEIDRO CCNC(=O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160312574 539585840 /nfs/dbraw/zinc/58/58/40/539585840.db2.gz HAPDUQUFNMGBCT-UHFFFAOYSA-N 1 0 322.206 2.223 20 70 DEIDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)cc(F)cc1C ZINC000217910064 539726695 /nfs/dbraw/zinc/72/66/95/539726695.db2.gz SAGHIBXLPGPETJ-CYBMUJFWSA-N 1 0 316.442 2.451 20 70 DEIDRO CCc1noc(CC)c1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159546637 186126347 /nfs/dbraw/zinc/12/63/47/186126347.db2.gz VHKMVKFBLXBBRU-UHFFFAOYSA-N 1 0 310.442 2.281 20 70 DEIDRO CCSCC[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000159606880 186130105 /nfs/dbraw/zinc/13/01/05/186130105.db2.gz DIGKDLVNOZPPTA-UHFFFAOYSA-N 1 0 314.417 2.326 20 70 DEIDRO c1ncn(-c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)n1 ZINC000159641932 186132679 /nfs/dbraw/zinc/13/26/79/186132679.db2.gz OYXJAZYSTSBYJP-ULQDDVLXSA-N 1 0 310.401 2.315 20 70 DEIDRO COc1cc(/C=C/C(=O)NCC2([NH3+])CCCCC2)cc(OC)c1 ZINC000159654835 186133800 /nfs/dbraw/zinc/13/38/00/186133800.db2.gz AQWDSJFKVNSYIJ-VOTSOKGWSA-N 1 0 318.417 2.495 20 70 DEIDRO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159696465 186136298 /nfs/dbraw/zinc/13/62/98/186136298.db2.gz JIRCLNUBTOEHII-RDJZCZTQSA-N 1 0 322.424 2.267 20 70 DEIDRO CC[NH+]1CCC(CCNC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159696946 186136425 /nfs/dbraw/zinc/13/64/25/186136425.db2.gz UDGTUDGEBZAMGK-UHFFFAOYSA-N 1 0 300.406 2.415 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161083442 283886363 /nfs/dbraw/zinc/88/63/63/283886363.db2.gz JROATYGTICCQBR-ZETCQYMHSA-N 1 0 306.250 2.457 20 70 DEIDRO COc1cc(N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000160854643 197443502 /nfs/dbraw/zinc/44/35/02/197443502.db2.gz FURXQVYXBSRUIG-VXGBXAGGSA-N 1 0 322.405 2.193 20 70 DEIDRO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160239603 197394837 /nfs/dbraw/zinc/39/48/37/197394837.db2.gz JFISANHNFCHBPU-OAHLLOKOSA-N 1 0 308.381 2.399 20 70 DEIDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000160216643 197393412 /nfs/dbraw/zinc/39/34/12/197393412.db2.gz ARHXQIPTNPDDPN-NEPJUHHUSA-N 1 0 317.216 2.237 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000160192680 197392046 /nfs/dbraw/zinc/39/20/46/197392046.db2.gz JPACYDICILFCNC-ADEWGFFLSA-N 1 0 314.307 2.248 20 70 DEIDRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160175357 197391354 /nfs/dbraw/zinc/39/13/54/197391354.db2.gz IBHRYANNAXNOII-CYBMUJFWSA-N 1 0 314.476 2.387 20 70 DEIDRO CCNC(=O)c1cccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000160172148 197390518 /nfs/dbraw/zinc/39/05/18/197390518.db2.gz CKGJWYMOLQFKHK-YOEHRIQHSA-N 1 0 303.450 2.256 20 70 DEIDRO [NH3+]CCCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000160033376 197381145 /nfs/dbraw/zinc/38/11/45/197381145.db2.gz IHSYZBFPERLINS-UHFFFAOYSA-N 1 0 322.796 2.178 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000159964240 197376815 /nfs/dbraw/zinc/37/68/15/197376815.db2.gz IGMUCNUOLXKARM-GFCCVEGCSA-N 1 0 323.245 2.351 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000159964687 197376615 /nfs/dbraw/zinc/37/66/15/197376615.db2.gz QXPPMZKMAUAWME-HNNXBMFYSA-N 1 0 310.463 2.342 20 70 DEIDRO C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000159881768 197370583 /nfs/dbraw/zinc/37/05/83/197370583.db2.gz MUJMPNLPHSIWPM-UKRRQHHQSA-N 1 0 313.405 2.205 20 70 DEIDRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160751487 291669441 /nfs/dbraw/zinc/66/94/41/291669441.db2.gz TUDBDXUCMLKERF-IAGOWNOFSA-N 1 0 319.449 2.500 20 70 DEIDRO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159802470 197365822 /nfs/dbraw/zinc/36/58/22/197365822.db2.gz OKODVDNSSNZNNM-SFHVURJKSA-N 1 0 315.461 2.280 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000159525498 197360639 /nfs/dbraw/zinc/36/06/39/197360639.db2.gz HGXCVPWYFYRRRT-UWVGGRQHSA-N 1 0 315.211 2.089 20 70 DEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc([S@@](C)=O)cc1 ZINC000159539125 197360505 /nfs/dbraw/zinc/36/05/05/197360505.db2.gz HMRKYRDIOHIHHD-ZSEKCTLFSA-N 1 0 308.447 2.087 20 70 DEIDRO CC(C)[C@@H](C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)[NH+](C)C ZINC000159516578 197359416 /nfs/dbraw/zinc/35/94/16/197359416.db2.gz VHDMBQWKKBMUCA-PVAVHDDUSA-N 1 0 306.450 2.244 20 70 DEIDRO O=C(NCCc1cscn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159508553 197358816 /nfs/dbraw/zinc/35/88/16/197358816.db2.gz LHWOYYHJWLNNAP-HNNXBMFYSA-N 1 0 322.478 2.346 20 70 DEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000159447532 197354335 /nfs/dbraw/zinc/35/43/35/197354335.db2.gz LJALSEIQRHEYBB-BZSNNMDCSA-N 1 0 316.445 2.283 20 70 DEIDRO O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000159379525 197349897 /nfs/dbraw/zinc/34/98/97/197349897.db2.gz DETCVYUBBKYHPI-AWEZNQCLSA-N 1 0 322.380 2.322 20 70 DEIDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1cscn1 ZINC000159370009 197348422 /nfs/dbraw/zinc/34/84/22/197348422.db2.gz RKNCZGPCYBCQFJ-CQSZACIVSA-N 1 0 310.467 2.201 20 70 DEIDRO [NH3+]C1(CNC(=O)c2ccc(Cn3cccn3)cc2)CCCCC1 ZINC000159603778 402326544 /nfs/dbraw/zinc/32/65/44/402326544.db2.gz QKKAKGGAOHSJRU-UHFFFAOYSA-N 1 0 312.417 2.323 20 70 DEIDRO Cc1nc(COc2ccc(NC(=O)CC[NH2+]C(C)C)cc2)no1 ZINC000159474939 402324034 /nfs/dbraw/zinc/32/40/34/402324034.db2.gz IDHMHYRLVYOWLX-UHFFFAOYSA-N 1 0 318.377 2.284 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000160392429 402343539 /nfs/dbraw/zinc/34/35/39/402343539.db2.gz YTBCGLAFZWBHHN-HOCLYGCPSA-N 1 0 318.392 2.389 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(F)cc1Cl ZINC000160411182 402344727 /nfs/dbraw/zinc/34/47/27/402344727.db2.gz UNJWDPRHEQXPGR-UHFFFAOYSA-N 1 0 302.777 2.492 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000160412071 402344796 /nfs/dbraw/zinc/34/47/96/402344796.db2.gz JMAKAEKTTVBSRX-UHFFFAOYSA-N 1 0 304.369 2.463 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000160459512 402346357 /nfs/dbraw/zinc/34/63/57/402346357.db2.gz LVBLKYDVSAFMFW-UHFFFAOYSA-N 1 0 321.812 2.168 20 70 DEIDRO C[C@@H](Sc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160531290 402349902 /nfs/dbraw/zinc/34/99/02/402349902.db2.gz UAGBGGFNIGEAGM-HUUCEWRRSA-N 1 0 322.474 2.130 20 70 DEIDRO Cc1cc(Cl)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160535745 402349980 /nfs/dbraw/zinc/34/99/80/402349980.db2.gz ARMBMXQCQFRDRS-CQSZACIVSA-N 1 0 310.825 2.225 20 70 DEIDRO O=C(c1ccc(N2CCCC2)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160595227 402352912 /nfs/dbraw/zinc/35/29/12/402352912.db2.gz QFBFHSQYRCHEPP-GASCZTMLSA-N 1 0 317.408 2.392 20 70 DEIDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160630552 402354338 /nfs/dbraw/zinc/35/43/38/402354338.db2.gz ALMFOIGCZGNWKX-AMIZOPFISA-N 1 0 304.287 2.327 20 70 DEIDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)O ZINC000160633490 402354674 /nfs/dbraw/zinc/35/46/74/402354674.db2.gz ZESMYXMZMMRQFY-JTQLQIEISA-N 1 0 314.813 2.426 20 70 DEIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000160841234 402362357 /nfs/dbraw/zinc/36/23/57/402362357.db2.gz RKZBSAKTPFADSP-MOPGFXCFSA-N 1 0 324.424 2.465 20 70 DEIDRO CC[NH+](CC)CCNC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160842879 402362642 /nfs/dbraw/zinc/36/26/42/402362642.db2.gz ZBTLNWMHPRHSRJ-UHFFFAOYSA-N 1 0 307.413 2.498 20 70 DEIDRO CCCCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160843449 402362686 /nfs/dbraw/zinc/36/26/86/402362686.db2.gz ZNLPNIMPCLTFAU-OAHLLOKOSA-N 1 0 311.470 2.461 20 70 DEIDRO COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1NC(=O)C1CCCCC1 ZINC000160920445 402366054 /nfs/dbraw/zinc/36/60/54/402366054.db2.gz FSPHNTILHUOYPJ-LLVKDONJSA-N 1 0 319.405 2.500 20 70 DEIDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161001294 402368637 /nfs/dbraw/zinc/36/86/37/402368637.db2.gz YZJODEWTJZBZJU-CZUORRHYSA-N 1 0 319.449 2.206 20 70 DEIDRO CO[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000161002645 402368843 /nfs/dbraw/zinc/36/88/43/402368843.db2.gz JTXYWJBSHOWWKG-HOTGVXAUSA-N 1 0 311.470 2.317 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022364 402370051 /nfs/dbraw/zinc/37/00/51/402370051.db2.gz XNBMUAPFLJNRMQ-KPXOXKRLSA-N 1 0 300.374 2.017 20 70 DEIDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc[nH]c1=O ZINC000161035974 402370208 /nfs/dbraw/zinc/37/02/08/402370208.db2.gz DJJBWOWALLROPO-UHFFFAOYSA-N 1 0 317.364 2.130 20 70 DEIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000161167546 402375699 /nfs/dbraw/zinc/37/56/99/402375699.db2.gz PFSSOZZRCJFKSG-CQSZACIVSA-N 1 0 307.404 2.477 20 70 DEIDRO COCC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161229386 402378266 /nfs/dbraw/zinc/37/82/66/402378266.db2.gz QPGMIHHTHSFFHW-CQSZACIVSA-N 1 0 319.449 2.396 20 70 DEIDRO Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159690701 402328327 /nfs/dbraw/zinc/32/83/27/402328327.db2.gz HPZMOBBYUHBFJD-XIRDDKMYSA-N 1 0 304.434 2.093 20 70 DEIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159771016 402330382 /nfs/dbraw/zinc/33/03/82/402330382.db2.gz SMLGKRVJSYJFOU-HUUCEWRRSA-N 1 0 311.470 2.175 20 70 DEIDRO COCC[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1C ZINC000159920921 402333443 /nfs/dbraw/zinc/33/34/43/402333443.db2.gz MVZOVURWTLKDGM-CQSZACIVSA-N 1 0 322.453 2.270 20 70 DEIDRO C[C@@H](O)C[N@@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1C ZINC000159910035 402333710 /nfs/dbraw/zinc/33/37/10/402333710.db2.gz OFJIYNOLNYMWEB-UONOGXRCSA-N 1 0 322.453 2.004 20 70 DEIDRO CC[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160199294 402338335 /nfs/dbraw/zinc/33/83/35/402338335.db2.gz VGGHZPLAMJWSLD-IAGOWNOFSA-N 1 0 304.434 2.143 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1 ZINC000160259610 402339179 /nfs/dbraw/zinc/33/91/79/402339179.db2.gz CZEWHGBXIGULAO-CQSZACIVSA-N 1 0 315.442 2.492 20 70 DEIDRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160959337 279605747 /nfs/dbraw/zinc/60/57/47/279605747.db2.gz QXQPZHXGSHGWGI-XHSDSOJGSA-N 1 0 321.465 2.116 20 70 DEIDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+](C)C)cc1 ZINC000161209554 280984755 /nfs/dbraw/zinc/98/47/55/280984755.db2.gz UFZQLECTXLYODU-FUHWJXTLSA-N 1 0 319.449 2.154 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1Cn1cccn1 ZINC000160639699 295207356 /nfs/dbraw/zinc/20/73/56/295207356.db2.gz UAXIIKDKUXLLPA-CYBMUJFWSA-N 1 0 303.406 2.362 20 70 DEIDRO COc1cc2c(cc1C[NH2+]C[C@@](C)(O)CSC)O[C@@H](C)C2 ZINC000217847657 337319356 /nfs/dbraw/zinc/31/93/56/337319356.db2.gz ZMXOSJNIQCRNOL-MEDUHNTESA-N 1 0 311.447 2.222 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)NCc1cccc(C)c1)C(=O)OC ZINC000159668092 521440613 /nfs/dbraw/zinc/44/06/13/521440613.db2.gz BKMRKJCKJWDIMS-UHFFFAOYSA-N 1 0 320.433 2.180 20 70 DEIDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@H]1CCOC1 ZINC000160487248 522882946 /nfs/dbraw/zinc/88/29/46/522882946.db2.gz OXUJYXDAYRIJPW-RBUKOAKNSA-N 1 0 318.461 2.424 20 70 DEIDRO COCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000160004733 523218690 /nfs/dbraw/zinc/21/86/90/523218690.db2.gz LSJYXWTXYLPBCR-UHFFFAOYSA-N 1 0 322.449 2.057 20 70 DEIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160956501 527380741 /nfs/dbraw/zinc/38/07/41/527380741.db2.gz MLWVACJBQDVFAQ-ZDUSSCGKSA-N 1 0 300.406 2.356 20 70 DEIDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1 ZINC000160714387 289996756 /nfs/dbraw/zinc/99/67/56/289996756.db2.gz UZGBXBCEWSQDJN-YOEHRIQHSA-N 1 0 312.417 2.434 20 70 DEIDRO Cc1cc(F)c(C(=O)NCC(C)(C)N2CCOCC2)cc1F ZINC000159535482 539582800 /nfs/dbraw/zinc/58/28/00/539582800.db2.gz NBBNATMFEMZTKQ-UHFFFAOYSA-N 1 0 312.360 2.114 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000161066273 539589606 /nfs/dbraw/zinc/58/96/06/539589606.db2.gz GXHCLUUARHOFGT-CVEARBPZSA-N 1 0 320.408 2.260 20 70 DEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000161505401 539591858 /nfs/dbraw/zinc/59/18/58/539591858.db2.gz ODIGQQVCECGFLV-NEPJUHHUSA-N 1 0 302.353 2.011 20 70 DEIDRO COC(=O)c1cccc(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161351719 355969061 /nfs/dbraw/zinc/96/90/61/355969061.db2.gz YYBHCDICSWAATP-UHFFFAOYSA-N 1 0 311.385 2.190 20 70 DEIDRO CN(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161496811 197499042 /nfs/dbraw/zinc/49/90/42/197499042.db2.gz MXUYRRGNXNNAQW-OLZOCXBDSA-N 1 0 307.413 2.494 20 70 DEIDRO Cc1c(C(=O)N2CCC(C(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000161267361 197479928 /nfs/dbraw/zinc/47/99/28/197479928.db2.gz LJJOAIQCACRQPP-UHFFFAOYSA-N 1 0 319.453 2.019 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000161068225 197461920 /nfs/dbraw/zinc/46/19/20/197461920.db2.gz GDTKFPJDAZVPLM-QGZVFWFLSA-N 1 0 303.450 2.137 20 70 DEIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)CCCF)CC2)CC1 ZINC000160974762 197453758 /nfs/dbraw/zinc/45/37/58/197453758.db2.gz CARIZSPTGXNRMB-UHFFFAOYSA-N 1 0 320.474 2.309 20 70 DEIDRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000160955726 197452712 /nfs/dbraw/zinc/45/27/12/197452712.db2.gz CTTWXDBSMKCXGH-MRXNPFEDSA-N 1 0 317.433 2.382 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000160428586 197409291 /nfs/dbraw/zinc/40/92/91/197409291.db2.gz VTEVHUAIVKODRC-UHFFFAOYSA-N 1 0 314.433 2.439 20 70 DEIDRO O=C(/C=C/c1ccco1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160309198 197398798 /nfs/dbraw/zinc/39/87/98/197398798.db2.gz RZMTUWABPYWGDK-NXVGNOFTSA-N 1 0 318.417 2.177 20 70 DEIDRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000160368686 197403356 /nfs/dbraw/zinc/40/33/56/197403356.db2.gz QEZXXZITTYDSLS-GFCCVEGCSA-N 1 0 323.824 2.322 20 70 DEIDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000160216779 197393267 /nfs/dbraw/zinc/39/32/67/197393267.db2.gz ARHXQIPTNPDDPN-RYUDHWBXSA-N 1 0 317.216 2.237 20 70 DEIDRO COc1ccc(C2(CNC(=O)[C@H](C)[NH3+])CCCCC2)cc1OC ZINC000160139883 197388890 /nfs/dbraw/zinc/38/88/90/197388890.db2.gz RJRMOFGYTCMPPV-ZDUSSCGKSA-N 1 0 320.433 2.369 20 70 DEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000160225629 197394357 /nfs/dbraw/zinc/39/43/57/197394357.db2.gz MXVHKLSKNFDVLP-LSDHHAIUSA-N 1 0 306.454 2.072 20 70 DEIDRO CCCOc1ccc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000160059736 197382936 /nfs/dbraw/zinc/38/29/36/197382936.db2.gz AFAJWKWKSPTXHX-VQHVLOKHSA-N 1 0 306.406 2.351 20 70 DEIDRO O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000159420708 197352201 /nfs/dbraw/zinc/35/22/01/197352201.db2.gz XGDNSKQKDFBURG-ULQDDVLXSA-N 1 0 318.417 2.450 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000159396038 197350993 /nfs/dbraw/zinc/35/09/93/197350993.db2.gz SXXMFBGNUPDLBG-SJORKVTESA-N 1 0 319.449 2.498 20 70 DEIDRO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159463909 402324172 /nfs/dbraw/zinc/32/41/72/402324172.db2.gz BHGVRBXYMPQYEX-HZPDHXFCSA-N 1 0 313.486 2.419 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000160484950 402347396 /nfs/dbraw/zinc/34/73/96/402347396.db2.gz OTNRUEDIBNVWFN-CZUORRHYSA-N 1 0 322.416 2.438 20 70 DEIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160527359 402349523 /nfs/dbraw/zinc/34/95/23/402349523.db2.gz LVFQSFNEMSVLKF-BBWFWOEESA-N 1 0 321.465 2.214 20 70 DEIDRO COC1(C(=O)NCC2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000160547682 402350523 /nfs/dbraw/zinc/35/05/23/402350523.db2.gz MTNXSFVRLDNDPI-UHFFFAOYSA-N 1 0 322.836 2.256 20 70 DEIDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160566477 402351242 /nfs/dbraw/zinc/35/12/42/402351242.db2.gz NIEKLQMIDUWENM-JTQLQIEISA-N 1 0 304.312 2.414 20 70 DEIDRO COc1ccc([C@H](C)CCNC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000160555218 402351498 /nfs/dbraw/zinc/35/14/98/402351498.db2.gz KJOPRCVOIXCEON-CQSZACIVSA-N 1 0 320.433 2.074 20 70 DEIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160605983 402353950 /nfs/dbraw/zinc/35/39/50/402353950.db2.gz CMASVJVVMJBPOX-CYBMUJFWSA-N 1 0 316.323 2.341 20 70 DEIDRO Fc1ccccc1-c1cnc(CN2CCC3(C2)OCCO3)o1 ZINC000160618541 402354549 /nfs/dbraw/zinc/35/45/49/402354549.db2.gz XVBWLZLSRXEXCR-UHFFFAOYSA-N 1 0 304.321 2.430 20 70 DEIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000160636998 402355030 /nfs/dbraw/zinc/35/50/30/402355030.db2.gz MQVIBMRFHAGNMJ-MRXNPFEDSA-N 1 0 322.424 2.066 20 70 DEIDRO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCC2 ZINC000160714610 402357918 /nfs/dbraw/zinc/35/79/18/402357918.db2.gz GHLTUMDJLGWORJ-CABCVRRESA-N 1 0 309.454 2.070 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000160882274 402364370 /nfs/dbraw/zinc/36/43/70/402364370.db2.gz QQMNMFYEIDBWHF-AWEZNQCLSA-N 1 0 307.442 2.393 20 70 DEIDRO CC[C@H]1COCCN1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160931463 402365953 /nfs/dbraw/zinc/36/59/53/402365953.db2.gz QHSWOFOWHFEDKM-JKSUJKDBSA-N 1 0 311.470 2.317 20 70 DEIDRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000160968636 402367649 /nfs/dbraw/zinc/36/76/49/402367649.db2.gz FWXAJXPDKWOVGN-TVQRCGJNSA-N 1 0 317.216 2.143 20 70 DEIDRO C[NH+](C)C1CCN(CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000160981911 402368098 /nfs/dbraw/zinc/36/80/98/402368098.db2.gz ONZZFKCINMGZKM-UHFFFAOYSA-N 1 0 309.498 2.345 20 70 DEIDRO COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000161041944 402370148 /nfs/dbraw/zinc/37/01/48/402370148.db2.gz QAPZGNHZIMTKLD-CYBMUJFWSA-N 1 0 306.406 2.449 20 70 DEIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000161145400 402375153 /nfs/dbraw/zinc/37/51/53/402375153.db2.gz AYUNZJCJQMDSBM-KRWDZBQOSA-N 1 0 317.433 2.299 20 70 DEIDRO COC(=O)C[C@@H](C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161488605 402389027 /nfs/dbraw/zinc/38/90/27/402389027.db2.gz SRBKNBAHAFVTCG-QQFBHYJXSA-N 1 0 324.465 2.345 20 70 DEIDRO CN(C)C(=O)c1cc(NC(=O)C2([NH3+])CCCCC2)ccc1F ZINC000161410419 402386206 /nfs/dbraw/zinc/38/62/06/402386206.db2.gz JKADDSSGWPGEFL-UHFFFAOYSA-N 1 0 307.369 2.128 20 70 DEIDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1cnn(C)c1 ZINC000159758733 402330320 /nfs/dbraw/zinc/33/03/20/402330320.db2.gz CFHLGCCFQUCIJG-ZDUSSCGKSA-N 1 0 301.390 2.302 20 70 DEIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000159786637 402331061 /nfs/dbraw/zinc/33/10/61/402331061.db2.gz BEXFAGFSYMOHLP-BBRMVZONSA-N 1 0 305.422 2.435 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2COc3ccc(C)cc32)CC1 ZINC000159999920 402334988 /nfs/dbraw/zinc/33/49/88/402334988.db2.gz MTFVUTLIRCBSFN-OAHLLOKOSA-N 1 0 303.406 2.166 20 70 DEIDRO COc1cc(C2(C(=O)NC[C@@H](C3CC3)[NH+](C)C)CC2)ccc1C ZINC000160108184 402336349 /nfs/dbraw/zinc/33/63/49/402336349.db2.gz HUKYZCUHIOLFNU-INIZCTEOSA-N 1 0 316.445 2.492 20 70 DEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(CCOC)CCC1 ZINC000160100285 402336414 /nfs/dbraw/zinc/33/64/14/402336414.db2.gz QPPATQSYBPFDFF-OAHLLOKOSA-N 1 0 311.470 2.367 20 70 DEIDRO C[C@H](CCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160203094 402338287 /nfs/dbraw/zinc/33/82/87/402338287.db2.gz RKSNXOQYXHWTIK-CABCVRRESA-N 1 0 319.449 2.282 20 70 DEIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000160397557 519850887 /nfs/dbraw/zinc/85/08/87/519850887.db2.gz CWUVNEVJGXVATP-UHFFFAOYSA-N 1 0 302.378 2.228 20 70 DEIDRO CCOc1ccccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159732239 521492310 /nfs/dbraw/zinc/49/23/10/521492310.db2.gz FHMNZPCXCPLDSN-UHFFFAOYSA-N 1 0 305.422 2.323 20 70 DEIDRO COCC[N@H+](C)CCCNC(=O)c1cc(F)cc2cccnc21 ZINC000160342061 523583799 /nfs/dbraw/zinc/58/37/99/523583799.db2.gz OJMKQYPTMIDYSC-UHFFFAOYSA-N 1 0 319.380 2.072 20 70 DEIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000159368585 523610560 /nfs/dbraw/zinc/61/05/60/523610560.db2.gz NWIMZGXZYPUNOZ-OAHLLOKOSA-N 1 0 316.449 2.410 20 70 DEIDRO Cc1cccc(OCCCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000159388446 524730753 /nfs/dbraw/zinc/73/07/53/524730753.db2.gz KQIHCBIUYGQWBJ-GOSISDBHSA-N 1 0 302.418 2.366 20 70 DEIDRO Cc1ccc(C(=O)CCN2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000159706186 526042189 /nfs/dbraw/zinc/04/21/89/526042189.db2.gz UAUGQZSWUKSOSL-UHFFFAOYSA-N 1 0 318.461 2.346 20 70 DEIDRO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)CCn1cccn1 ZINC000159480834 526971430 /nfs/dbraw/zinc/97/14/30/526971430.db2.gz OZEHPSZDPLQFFM-AWEZNQCLSA-N 1 0 315.421 2.314 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(-c3ccccc3OC)n2)C1 ZINC000160577751 539587298 /nfs/dbraw/zinc/58/72/98/539587298.db2.gz XTIWRLHYVLLGKO-LLVKDONJSA-N 1 0 317.414 2.253 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccccc2Br)C1 ZINC000160889737 539588283 /nfs/dbraw/zinc/58/82/83/539588283.db2.gz PVSKNNYGTPKNKI-NWDGAFQWSA-N 1 0 311.223 2.378 20 70 DEIDRO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160886008 539588297 /nfs/dbraw/zinc/58/82/97/539588297.db2.gz FHTFQZYSENXADD-KGLIPLIRSA-N 1 0 304.390 2.044 20 70 DEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160925436 539588476 /nfs/dbraw/zinc/58/84/76/539588476.db2.gz DPTFRVGKZCNDGW-NSHDSACASA-N 1 0 303.406 2.092 20 70 DEIDRO CC[C@H](C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000161281722 539590180 /nfs/dbraw/zinc/59/01/80/539590180.db2.gz IPJRQRNGWCEEQD-KCXAZCMYSA-N 1 0 308.397 2.155 20 70 DEIDRO CCCc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[nH]c(C)c1C(C)=O ZINC000161509029 539591917 /nfs/dbraw/zinc/59/19/17/539591917.db2.gz TWTFIVGAFGLIOA-QWHCGFSZSA-N 1 0 305.422 2.478 20 70 DEIDRO CCCC(O)(CCC)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000159623215 355961664 /nfs/dbraw/zinc/96/16/64/355961664.db2.gz DMEDCEOFMJTZLJ-HNNXBMFYSA-N 1 0 313.486 2.491 20 70 DEIDRO COc1cc(F)c([C@@H](C)NC(=O)CC[NH2+]C(C)C)cc1OC ZINC000159963235 355962852 /nfs/dbraw/zinc/96/28/52/355962852.db2.gz KCKMZPPPWAPIHL-LLVKDONJSA-N 1 0 312.385 2.408 20 70 DEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000160649959 355964963 /nfs/dbraw/zinc/96/49/63/355964963.db2.gz SODJZQUEMYJXFY-HUUCEWRRSA-N 1 0 317.437 2.131 20 70 DEIDRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000160968385 197453831 /nfs/dbraw/zinc/45/38/31/197453831.db2.gz FWXAJXPDKWOVGN-NOZJJQNGSA-N 1 0 317.216 2.143 20 70 DEIDRO O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161040835 197459878 /nfs/dbraw/zinc/45/98/78/197459878.db2.gz NFYOQILUMSTLND-COXVUDFISA-N 1 0 318.417 2.307 20 70 DEIDRO O=C(/C=C/c1ccco1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160309319 197398899 /nfs/dbraw/zinc/39/88/99/197398899.db2.gz RZMTUWABPYWGDK-UAEOLWBESA-N 1 0 318.417 2.177 20 70 DEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccncc1C(N)=O ZINC000160218237 197393093 /nfs/dbraw/zinc/39/30/93/197393093.db2.gz FMYOOLAOJVBXSI-DYVFJYSZSA-N 1 0 310.401 2.113 20 70 DEIDRO O=S(=O)(c1cccs1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160175241 197391204 /nfs/dbraw/zinc/39/12/04/197391204.db2.gz IBHRYANNAXNOII-ZDUSSCGKSA-N 1 0 314.476 2.387 20 70 DEIDRO COC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000160238293 197394610 /nfs/dbraw/zinc/39/46/10/197394610.db2.gz POEPUSJPUCVLLH-ZDUSSCGKSA-N 1 0 301.814 2.232 20 70 DEIDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC(C)(C)CO)C1 ZINC000160127276 197388069 /nfs/dbraw/zinc/38/80/69/197388069.db2.gz WBYFQUDXXKVQOJ-STQMWFEESA-N 1 0 300.443 2.430 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000159941790 197375033 /nfs/dbraw/zinc/37/50/33/197375033.db2.gz YMNXEEDVMUTXDM-LLVKDONJSA-N 1 0 323.245 2.351 20 70 DEIDRO CC[NH+]1CCC(CCNC(=O)NCc2ncccc2F)CC1 ZINC000159881101 291660716 /nfs/dbraw/zinc/66/07/16/291660716.db2.gz OXUIVMJQZGCKEU-UHFFFAOYSA-N 1 0 308.401 2.142 20 70 DEIDRO CCc1ccc(C(=O)CCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000159378607 197349737 /nfs/dbraw/zinc/34/97/37/197349737.db2.gz INRLEABJUGITDM-LJQANCHMSA-N 1 0 314.429 2.424 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000218063432 402294429 /nfs/dbraw/zinc/29/44/29/402294429.db2.gz KCRVPCCTRPRTOX-KBPBESRZSA-N 1 0 310.463 2.083 20 70 DEIDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159542584 402325285 /nfs/dbraw/zinc/32/52/85/402325285.db2.gz IWKMRTDGFGLLCC-HNNXBMFYSA-N 1 0 314.433 2.463 20 70 DEIDRO Cc1c(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000160271357 402339850 /nfs/dbraw/zinc/33/98/50/402339850.db2.gz RGNASISCZHYHKM-AWEZNQCLSA-N 1 0 321.469 2.040 20 70 DEIDRO C[NH+](C)CC(C)(C)CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160334016 402340842 /nfs/dbraw/zinc/34/08/42/402340842.db2.gz BANRAUAUAUWVLV-LBPRGKRZSA-N 1 0 311.451 2.312 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000160456026 402346424 /nfs/dbraw/zinc/34/64/24/402346424.db2.gz VADRKRUXSGDMSR-CQSZACIVSA-N 1 0 317.433 2.211 20 70 DEIDRO Cc1noc(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160501452 402348411 /nfs/dbraw/zinc/34/84/11/402348411.db2.gz BYOHDAAPBPCWNP-OAHLLOKOSA-N 1 0 307.438 2.461 20 70 DEIDRO COC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000160506952 402348829 /nfs/dbraw/zinc/34/88/29/402348829.db2.gz VQVOQWSKIGGAOT-GOSISDBHSA-N 1 0 304.434 2.033 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(OC)c1 ZINC000160520010 402349487 /nfs/dbraw/zinc/34/94/87/402349487.db2.gz FCMRPRYIUAIWDK-YPMHNXCESA-N 1 0 316.405 2.269 20 70 DEIDRO CCOc1c(Cl)cc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1OC ZINC000160520881 402349530 /nfs/dbraw/zinc/34/95/30/402349530.db2.gz DRLDJWJKUIZYKS-NSHDSACASA-N 1 0 312.797 2.181 20 70 DEIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160586812 402352456 /nfs/dbraw/zinc/35/24/56/402352456.db2.gz YZENRXCMZLLDKX-MNOVXSKESA-N 1 0 318.339 2.455 20 70 DEIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000160661895 402356188 /nfs/dbraw/zinc/35/61/88/402356188.db2.gz FRRXCAVLIXNUCS-OAHLLOKOSA-N 1 0 305.422 2.460 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1 ZINC000160810724 402361255 /nfs/dbraw/zinc/36/12/55/402361255.db2.gz HPOBNPJPTHSDER-LBPRGKRZSA-N 1 0 323.824 2.368 20 70 DEIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160836711 402362691 /nfs/dbraw/zinc/36/26/91/402362691.db2.gz PACCGNOWHUOZJH-OLZOCXBDSA-N 1 0 300.324 2.418 20 70 DEIDRO CCn1ccnc1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000160858438 402363002 /nfs/dbraw/zinc/36/30/02/402363002.db2.gz ZETJVAYZARKTEU-UHFFFAOYSA-N 1 0 304.438 2.128 20 70 DEIDRO COc1cc(N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000160854415 402363083 /nfs/dbraw/zinc/36/30/83/402363083.db2.gz FURXQVYXBSRUIG-NEPJUHHUSA-N 1 0 322.405 2.193 20 70 DEIDRO CCN(CCC[NH2+]Cc1cc(F)cc(Cl)c1)S(C)(=O)=O ZINC000160906366 402365332 /nfs/dbraw/zinc/36/53/32/402365332.db2.gz SVVVQIJQZLVSKZ-UHFFFAOYSA-N 1 0 322.833 2.240 20 70 DEIDRO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940406 402366500 /nfs/dbraw/zinc/36/65/00/402366500.db2.gz RVVLLKFOQNRURP-CPUCHLNUSA-N 1 0 324.490 2.050 20 70 DEIDRO C[NH+](C)CCn1ccc(NC(=O)N(CC2CC2)CC2CC2)n1 ZINC000161091765 402372890 /nfs/dbraw/zinc/37/28/90/402372890.db2.gz XBWZKNBXPYBONF-UHFFFAOYSA-N 1 0 305.426 2.099 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000161170496 402376179 /nfs/dbraw/zinc/37/61/79/402376179.db2.gz RASYFYCDBRNMLC-UHFFFAOYSA-N 1 0 314.433 2.296 20 70 DEIDRO COc1ccc2nc(C)cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2c1 ZINC000161308375 402382213 /nfs/dbraw/zinc/38/22/13/402382213.db2.gz RTNAPRCSYSYHRO-ZDUSSCGKSA-N 1 0 313.401 2.233 20 70 DEIDRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161322558 402382607 /nfs/dbraw/zinc/38/26/07/402382607.db2.gz LYUCCCGWQKRBCO-IAGOWNOFSA-N 1 0 302.418 2.194 20 70 DEIDRO CCOCCC1(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000159659918 402327480 /nfs/dbraw/zinc/32/74/80/402327480.db2.gz FTHWNIFOVWBKNI-HNNXBMFYSA-N 1 0 311.470 2.224 20 70 DEIDRO CN(Cc1nccn1Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000159711157 402329066 /nfs/dbraw/zinc/32/90/66/402329066.db2.gz HXRXCEZGVHYSJM-UHFFFAOYSA-N 1 0 319.372 2.234 20 70 DEIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160250164 402339525 /nfs/dbraw/zinc/33/95/25/402339525.db2.gz SYPAVROXHCKDTI-XIRDDKMYSA-N 1 0 321.465 2.071 20 70 DEIDRO COC1(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000159805489 277462096 /nfs/dbraw/zinc/46/20/96/277462096.db2.gz PZNILBWFDLAENB-DZGCQCFKSA-N 1 0 320.408 2.299 20 70 DEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[NH2+]CC1CC1 ZINC000161060474 520351160 /nfs/dbraw/zinc/35/11/60/520351160.db2.gz NAENUBKCKAHSHI-UHFFFAOYSA-N 1 0 317.433 2.090 20 70 DEIDRO CCOc1cc(CCCNC(=O)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000160063645 520693288 /nfs/dbraw/zinc/69/32/88/520693288.db2.gz GPPINSPJMHFPQL-HNNXBMFYSA-N 1 0 320.433 2.142 20 70 DEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(O)c(F)c1 ZINC000159624638 521601347 /nfs/dbraw/zinc/60/13/47/521601347.db2.gz OBUNSZPJRURRMP-ZDUSSCGKSA-N 1 0 309.385 2.205 20 70 DEIDRO COc1cc(C)cc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159997856 522239804 /nfs/dbraw/zinc/23/98/04/522239804.db2.gz FFYRFSPSARQTKT-DZGCQCFKSA-N 1 0 317.433 2.428 20 70 DEIDRO COc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159605172 522258398 /nfs/dbraw/zinc/25/83/98/522258398.db2.gz RYTOCUKBBIXUKJ-UHFFFAOYSA-N 1 0 307.438 2.485 20 70 DEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160140549 523921783 /nfs/dbraw/zinc/92/17/83/523921783.db2.gz FZGZVQNREJDKKN-KBPBESRZSA-N 1 0 302.426 2.043 20 70 DEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NOCc2cccnc2)C1 ZINC000161075313 525382400 /nfs/dbraw/zinc/38/24/00/525382400.db2.gz SSCMFWAEZJBEAI-GASCZTMLSA-N 1 0 320.437 2.180 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NCCOc1ccccc1C(C)C ZINC000159840159 525580679 /nfs/dbraw/zinc/58/06/79/525580679.db2.gz VJTPQVMKEVKVLZ-AWEZNQCLSA-N 1 0 310.463 2.385 20 70 DEIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](O)c1ccccc1 ZINC000159594674 186129442 /nfs/dbraw/zinc/12/94/42/186129442.db2.gz ZAIYVZJASJSJRY-NVXWUHKLSA-N 1 0 304.434 2.491 20 70 DEIDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160343561 283096565 /nfs/dbraw/zinc/09/65/65/283096565.db2.gz UZZAVZYRBQXDEN-VQHPVUNQSA-N 1 0 321.465 2.070 20 70 DEIDRO C[C@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159884116 291074123 /nfs/dbraw/zinc/07/41/23/291074123.db2.gz QTSFKULCQGABEZ-YQQAZPJKSA-N 1 0 317.433 2.080 20 70 DEIDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159787506 355961716 /nfs/dbraw/zinc/96/17/16/355961716.db2.gz JLPRHJZGZXWTBV-CYBMUJFWSA-N 1 0 305.397 2.235 20 70 DEIDRO COc1cc(F)c([C@H](C)NC(=O)CC[NH2+]C(C)C)cc1OC ZINC000159963115 355963005 /nfs/dbraw/zinc/96/30/05/355963005.db2.gz KCKMZPPPWAPIHL-NSHDSACASA-N 1 0 312.385 2.408 20 70 DEIDRO CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000160982989 355967986 /nfs/dbraw/zinc/96/79/86/355967986.db2.gz MKVAGQCBKRCAKY-UHFFFAOYSA-N 1 0 311.407 2.141 20 70 DEIDRO C[C@@H](NC(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161298677 355967992 /nfs/dbraw/zinc/96/79/92/355967992.db2.gz MSZQXJGILVRYIJ-MRXNPFEDSA-N 1 0 324.428 2.081 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000161290425 197481749 /nfs/dbraw/zinc/48/17/49/197481749.db2.gz YUQFSOUTHXBUSJ-CQSZACIVSA-N 1 0 306.454 2.466 20 70 DEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000160243962 197394874 /nfs/dbraw/zinc/39/48/74/197394874.db2.gz DQDTWUJPTJNRMX-FZMZJTMJSA-N 1 0 318.808 2.356 20 70 DEIDRO CCn1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1=O ZINC000160223563 197393851 /nfs/dbraw/zinc/39/38/51/197393851.db2.gz NKVKBQYCEMZABK-HOCLYGCPSA-N 1 0 312.417 2.196 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159759166 197361808 /nfs/dbraw/zinc/36/18/08/197361808.db2.gz ZKAMNOZLAYDUOD-OAHLLOKOSA-N 1 0 318.465 2.354 20 70 DEIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000159537916 197360660 /nfs/dbraw/zinc/36/06/60/197360660.db2.gz BJOZDOMPDAUYHM-RYRKJORJSA-N 1 0 320.408 2.281 20 70 DEIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000159381946 197349408 /nfs/dbraw/zinc/34/94/08/197349408.db2.gz WQYXJWKNAIAWFA-GJZGRUSLSA-N 1 0 300.468 2.137 20 70 DEIDRO CCN(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000218310098 402295285 /nfs/dbraw/zinc/29/52/85/402295285.db2.gz MWORHVLJYXINJM-HNNXBMFYSA-N 1 0 312.841 2.154 20 70 DEIDRO COc1cccc2c1CC[C@@H]2NC(=O)NCC[NH+]1CCCCC1 ZINC000160277664 402340103 /nfs/dbraw/zinc/34/01/03/402340103.db2.gz KZWDHBSNQLHHLP-INIZCTEOSA-N 1 0 317.433 2.468 20 70 DEIDRO COc1cc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])ccc1OC(C)C ZINC000160334506 402340848 /nfs/dbraw/zinc/34/08/48/402340848.db2.gz LRPGRSWLASTBIB-HEWZJLJBSA-N 1 0 318.417 2.445 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160329082 402341150 /nfs/dbraw/zinc/34/11/50/402341150.db2.gz BLKKNMCVRXUURX-ZYHUDNBSSA-N 1 0 304.369 2.400 20 70 DEIDRO C[NH+]1CCC(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160335634 402341477 /nfs/dbraw/zinc/34/14/77/402341477.db2.gz WGSPAWAFZGHZIT-MRXNPFEDSA-N 1 0 319.405 2.070 20 70 DEIDRO CC[C@H](C)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160352767 402342162 /nfs/dbraw/zinc/34/21/62/402342162.db2.gz NCAACFOCJIXKLD-GOEBONIOSA-N 1 0 322.449 2.465 20 70 DEIDRO COc1cccc(OCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160413603 402344947 /nfs/dbraw/zinc/34/49/47/402344947.db2.gz CEZSXCYZYHVMIS-OAHLLOKOSA-N 1 0 320.433 2.311 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(F)c(Cl)c1 ZINC000160473401 402347171 /nfs/dbraw/zinc/34/71/71/402347171.db2.gz UGEAOQSREIFRJN-UHFFFAOYSA-N 1 0 302.777 2.492 20 70 DEIDRO CCCN(Cc1ccnn1C)C[C@H]1COc2ccccc2O1 ZINC000161424101 402387189 /nfs/dbraw/zinc/38/71/89/402387189.db2.gz KVZJPKALMFMZFX-HNNXBMFYSA-N 1 0 301.390 2.472 20 70 DEIDRO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160514773 402348583 /nfs/dbraw/zinc/34/85/83/402348583.db2.gz ZZEMEFVSUJMEMB-WMLDXEAASA-N 1 0 322.424 2.282 20 70 DEIDRO O=C(C[NH2+][C@@H]1CSCCc2ccccc21)NCC(F)(F)F ZINC000160604661 402353295 /nfs/dbraw/zinc/35/32/95/402353295.db2.gz JZTDMFPKOUFPMV-GFCCVEGCSA-N 1 0 318.364 2.285 20 70 DEIDRO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160607170 402353632 /nfs/dbraw/zinc/35/36/32/402353632.db2.gz QFGQJDQEXNGBBC-SNVBAGLBSA-N 1 0 304.312 2.414 20 70 DEIDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)nc1 ZINC000161441329 402387721 /nfs/dbraw/zinc/38/77/21/402387721.db2.gz ADLJCKMBHRWOES-LBPRGKRZSA-N 1 0 302.765 2.139 20 70 DEIDRO CC(C)n1ccnc1CN(CCC(N)=O)Cc1ccccc1 ZINC000160726918 402358721 /nfs/dbraw/zinc/35/87/21/402358721.db2.gz YFCYLZJGFPHSOW-UHFFFAOYSA-N 1 0 300.406 2.342 20 70 DEIDRO COC(C[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)OC ZINC000160831812 402361830 /nfs/dbraw/zinc/36/18/30/402361830.db2.gz UMQIMQFLDWGXJR-QWHCGFSZSA-N 1 0 316.442 2.373 20 70 DEIDRO O=C(N[C@H](CO)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160822002 402361999 /nfs/dbraw/zinc/36/19/99/402361999.db2.gz HTCGYCDDMYRAFH-DOTOQJQBSA-N 1 0 317.433 2.036 20 70 DEIDRO COCCC1(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000161004901 402368563 /nfs/dbraw/zinc/36/85/63/402368563.db2.gz UBEWVYYXSPYANC-UHFFFAOYSA-N 1 0 311.470 2.176 20 70 DEIDRO CC[N@H+](CCNC(=O)Nc1cc(C(=O)OC)cs1)C(C)C ZINC000161019574 402369359 /nfs/dbraw/zinc/36/93/59/402369359.db2.gz FCKLYWOKSQFHMJ-UHFFFAOYSA-N 1 0 313.423 2.387 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC1 ZINC000161013849 402369387 /nfs/dbraw/zinc/36/93/87/402369387.db2.gz AFPRDSKZOYIKIE-XYPWUTKMSA-N 1 0 306.450 2.230 20 70 DEIDRO C[C@H](CCO)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000161046344 402370911 /nfs/dbraw/zinc/37/09/11/402370911.db2.gz VIUMDMFMDMCHBR-GFCCVEGCSA-N 1 0 304.390 2.243 20 70 DEIDRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000161075136 402372144 /nfs/dbraw/zinc/37/21/44/402372144.db2.gz DEZJLDDXNCLDEA-UHFFFAOYSA-N 1 0 322.405 2.012 20 70 DEIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000161128901 402373992 /nfs/dbraw/zinc/37/39/92/402373992.db2.gz PNQCVPBYVYCDIF-CYBMUJFWSA-N 1 0 313.486 2.392 20 70 DEIDRO CC[N@H+](CCOc1cccc(C(=O)OC)c1)Cc1cnn(C)c1 ZINC000161136637 402374502 /nfs/dbraw/zinc/37/45/02/402374502.db2.gz YGRZGMVKXAFTMP-UHFFFAOYSA-N 1 0 317.389 2.108 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000161260084 402379480 /nfs/dbraw/zinc/37/94/80/402379480.db2.gz QRYJXPNEIIMONM-HOCLYGCPSA-N 1 0 306.450 2.422 20 70 DEIDRO COc1ccc(OC)c(CC[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161470012 402388890 /nfs/dbraw/zinc/38/88/90/402388890.db2.gz APQVDFHWAFREAQ-UHFFFAOYSA-N 1 0 320.433 2.283 20 70 DEIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000161391147 402385654 /nfs/dbraw/zinc/38/56/54/402385654.db2.gz PGBDEIDDIPZWCY-XHSDSOJGSA-N 1 0 311.470 2.053 20 70 DEIDRO O=C(CCc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159923836 402333591 /nfs/dbraw/zinc/33/35/91/402333591.db2.gz CDUIYBFIEUJHAH-MRXNPFEDSA-N 1 0 324.852 2.236 20 70 DEIDRO CCOCCC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000160029575 402335742 /nfs/dbraw/zinc/33/57/42/402335742.db2.gz OAOIREKPXXZFLO-UHFFFAOYSA-N 1 0 304.434 2.108 20 70 DEIDRO CC(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000160157383 402337049 /nfs/dbraw/zinc/33/70/49/402337049.db2.gz KUTCTTQVSPASPZ-INIZCTEOSA-N 1 0 324.446 2.075 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cnccn1 ZINC000160460854 287041582 /nfs/dbraw/zinc/04/15/82/287041582.db2.gz IPLQEHKZIHFXJI-OAHLLOKOSA-N 1 0 312.417 2.160 20 70 DEIDRO CC(=O)NC1(C(=O)NCC[NH2+]C2CCCCCC2)CCCCC1 ZINC000159621852 277022972 /nfs/dbraw/zinc/02/29/72/277022972.db2.gz YHMMILATECVHCF-UHFFFAOYSA-N 1 0 323.481 2.254 20 70 DEIDRO C[C@@]1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000159496398 289126143 /nfs/dbraw/zinc/12/61/43/289126143.db2.gz AWGIIDYTGIGTNE-SECBINFHSA-N 1 0 318.261 2.329 20 70 DEIDRO CCc1ccccc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161373586 521810878 /nfs/dbraw/zinc/81/08/78/521810878.db2.gz QLVMJCAJADWOGP-GASCZTMLSA-N 1 0 304.434 2.478 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)C1 ZINC000160657560 522390769 /nfs/dbraw/zinc/39/07/69/522390769.db2.gz FFOGPRQNAKVFIT-ZNFPLGDCSA-N 1 0 324.428 2.323 20 70 DEIDRO CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159786486 523849860 /nfs/dbraw/zinc/84/98/60/523849860.db2.gz AWSBMRFPMYEYNO-ZDUSSCGKSA-N 1 0 300.324 2.444 20 70 DEIDRO CCc1ccc([C@@H](CNC(=O)NCC[C@@H](O)CC)[NH+](C)C)cc1 ZINC000160745195 524029543 /nfs/dbraw/zinc/02/95/43/524029543.db2.gz ZXWJBPSPPOWXJJ-DLBZAZTESA-N 1 0 321.465 2.312 20 70 DEIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)n1C(C)C ZINC000160400205 524088036 /nfs/dbraw/zinc/08/80/36/524088036.db2.gz CDSROEGVESDBOB-MRXNPFEDSA-N 1 0 321.465 2.262 20 70 DEIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000161081768 525667345 /nfs/dbraw/zinc/66/73/45/525667345.db2.gz QLPJGRLREVPUNO-RDTXWAMCSA-N 1 0 323.400 2.437 20 70 DEIDRO C[C@@H](Oc1ccccc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160307079 525957416 /nfs/dbraw/zinc/95/74/16/525957416.db2.gz NQFMRMAVRWDIOM-UPJWGTAASA-N 1 0 308.809 2.460 20 70 DEIDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)O ZINC000160583749 526220954 /nfs/dbraw/zinc/22/09/54/526220954.db2.gz WDHQFLIGDVKGKA-GFCCVEGCSA-N 1 0 312.841 2.438 20 70 DEIDRO [NH3+][C@@H]1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C1 ZINC000160300835 527363869 /nfs/dbraw/zinc/36/38/69/527363869.db2.gz BUZJCFQZBZCBRP-OAHLLOKOSA-N 1 0 324.428 2.450 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)c2csc(-c3ccccc3OC)n2)C1 ZINC000160577875 539587159 /nfs/dbraw/zinc/58/71/59/539587159.db2.gz XTIWRLHYVLLGKO-NSHDSACASA-N 1 0 317.414 2.253 20 70 DEIDRO CCOc1cccc2c1OCC(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)=C2 ZINC000161083535 539589528 /nfs/dbraw/zinc/58/95/28/539589528.db2.gz YMGSHYIMMKQYKT-GJZGRUSLSA-N 1 0 316.401 2.247 20 70 DEIDRO c1ncn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)n1 ZINC000159642085 186132297 /nfs/dbraw/zinc/13/22/97/186132297.db2.gz OYXJAZYSTSBYJP-ZACQAIPSSA-N 1 0 310.401 2.315 20 70 DEIDRO CC(C)[C@H](O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159705986 186137053 /nfs/dbraw/zinc/13/70/53/186137053.db2.gz FBDFNXAFXKSMMO-DLBZAZTESA-N 1 0 304.434 2.032 20 70 DEIDRO O=C(C[NH2+][C@H]1CSCCc2ccccc21)NCC(F)(F)F ZINC000160604523 283852661 /nfs/dbraw/zinc/85/26/61/283852661.db2.gz JZTDMFPKOUFPMV-LBPRGKRZSA-N 1 0 318.364 2.285 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000160475302 197413627 /nfs/dbraw/zinc/41/36/27/197413627.db2.gz ANAUKYAQABEJJN-CYBMUJFWSA-N 1 0 319.405 2.312 20 70 DEIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)CC(C)C ZINC000160138328 197388928 /nfs/dbraw/zinc/38/89/28/197388928.db2.gz RWFDCYYACQLBOE-NVXWUHKLSA-N 1 0 313.486 2.299 20 70 DEIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)o1 ZINC000160216458 197393126 /nfs/dbraw/zinc/39/31/26/197393126.db2.gz JWUKVAAOEQICOJ-IAGOWNOFSA-N 1 0 320.433 2.394 20 70 DEIDRO COc1ccc(-c2nc(C(=O)N3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000160166366 197390642 /nfs/dbraw/zinc/39/06/42/197390642.db2.gz FWNUDFDSIJBWRX-LBPRGKRZSA-N 1 0 317.414 2.382 20 70 DEIDRO COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000160166241 197390500 /nfs/dbraw/zinc/39/05/00/197390500.db2.gz FWNUDFDSIJBWRX-GFCCVEGCSA-N 1 0 317.414 2.382 20 70 DEIDRO CCNC(=O)c1cccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000160172012 197390291 /nfs/dbraw/zinc/39/02/91/197390291.db2.gz CKGJWYMOLQFKHK-WMLDXEAASA-N 1 0 303.450 2.256 20 70 DEIDRO Cc1ccc(-n2nc(C(=O)NCCC[NH3+])c3c2CCC3)c(C)c1 ZINC000160038379 197380710 /nfs/dbraw/zinc/38/07/10/197380710.db2.gz GNZWGFTWNJRZMK-UHFFFAOYSA-N 1 0 312.417 2.056 20 70 DEIDRO C[NH+](C)Cc1ccc(C(=O)NCCCOCC(F)(F)F)cc1 ZINC000160019751 197380492 /nfs/dbraw/zinc/38/04/92/197380492.db2.gz RZYYJAQXOZDSRZ-UHFFFAOYSA-N 1 0 318.339 2.447 20 70 DEIDRO CC(C)([NH3+])CNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000159930576 197375156 /nfs/dbraw/zinc/37/51/56/197375156.db2.gz CYSUNQAIYDQJFU-UHFFFAOYSA-N 1 0 307.394 2.345 20 70 DEIDRO Cc1onc(-c2ccncc2)c1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000159911190 197373082 /nfs/dbraw/zinc/37/30/82/197373082.db2.gz CPSCBTLTKSFAAO-CQSZACIVSA-N 1 0 314.389 2.211 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000159837189 197368090 /nfs/dbraw/zinc/36/80/90/197368090.db2.gz UWGSPNGIXCEJBU-OAHLLOKOSA-N 1 0 317.433 2.290 20 70 DEIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000159806318 197365751 /nfs/dbraw/zinc/36/57/51/197365751.db2.gz FAQSMDCNHNWDKB-XIRDDKMYSA-N 1 0 302.418 2.099 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2F)c1 ZINC000159774854 197363857 /nfs/dbraw/zinc/36/38/57/197363857.db2.gz UWUKXAXWUUEHDI-CQSZACIVSA-N 1 0 302.353 2.400 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159497937 197357693 /nfs/dbraw/zinc/35/76/93/197357693.db2.gz NJJCAFOIVJJLFC-CQSZACIVSA-N 1 0 323.462 2.152 20 70 DEIDRO CO[C@H](C)c1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000159609235 402326345 /nfs/dbraw/zinc/32/63/45/402326345.db2.gz SIRPJYUTZDUZGD-UTUOFQBUSA-N 1 0 309.435 2.125 20 70 DEIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160328817 402340827 /nfs/dbraw/zinc/34/08/27/402340827.db2.gz BLKKNMCVRXUURX-CMPLNLGQSA-N 1 0 304.369 2.400 20 70 DEIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384040 402343576 /nfs/dbraw/zinc/34/35/76/402343576.db2.gz QTUZZEAFHMKURY-GXFFZTMASA-N 1 0 304.369 2.400 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160490992 402348192 /nfs/dbraw/zinc/34/81/92/402348192.db2.gz YVSGHUUSEOPSHQ-ZIAGYGMSSA-N 1 0 304.390 2.248 20 70 DEIDRO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160527470 402349466 /nfs/dbraw/zinc/34/94/66/402349466.db2.gz LVFQSFNEMSVLKF-ULQDDVLXSA-N 1 0 321.465 2.214 20 70 DEIDRO COCC[NH2+]CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000160532077 402349846 /nfs/dbraw/zinc/34/98/46/402349846.db2.gz JVIGFESMQNAPFD-UHFFFAOYSA-N 1 0 316.405 2.326 20 70 DEIDRO C[C@H](Sc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160530932 402349876 /nfs/dbraw/zinc/34/98/76/402349876.db2.gz UAGBGGFNIGEAGM-GJZGRUSLSA-N 1 0 322.474 2.130 20 70 DEIDRO Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160582742 402352344 /nfs/dbraw/zinc/35/23/44/402352344.db2.gz ALBJFBFFAUMBTA-DLBZAZTESA-N 1 0 318.461 2.452 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)C1 ZINC000160657433 402355374 /nfs/dbraw/zinc/35/53/74/402355374.db2.gz FFOGPRQNAKVFIT-SCOAYWHSSA-N 1 0 324.428 2.323 20 70 DEIDRO CCCN(C)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000160727830 402358324 /nfs/dbraw/zinc/35/83/24/402358324.db2.gz PTLWTEBSXWGVPF-UHFFFAOYSA-N 1 0 306.366 2.132 20 70 DEIDRO C[NH+](C)Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1 ZINC000160899265 402364785 /nfs/dbraw/zinc/36/47/85/402364785.db2.gz ASMRPJLJXJFPPU-UHFFFAOYSA-N 1 0 322.372 2.181 20 70 DEIDRO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000160943210 402366750 /nfs/dbraw/zinc/36/67/50/402366750.db2.gz WILZZZDMCVNCLQ-INIZCTEOSA-N 1 0 317.433 2.029 20 70 DEIDRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000160968510 402367711 /nfs/dbraw/zinc/36/77/11/402367711.db2.gz FWXAJXPDKWOVGN-RNCFNFMXSA-N 1 0 317.216 2.143 20 70 DEIDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160974252 402367908 /nfs/dbraw/zinc/36/79/08/402367908.db2.gz DLTYPOQCBVLRFL-AWEZNQCLSA-N 1 0 317.433 2.126 20 70 DEIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000161009111 402369545 /nfs/dbraw/zinc/36/95/45/402369545.db2.gz GSRHXLVGQSSBQU-NOZJJQNGSA-N 1 0 313.348 2.240 20 70 DEIDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(F)n1 ZINC000161472460 402388596 /nfs/dbraw/zinc/38/85/96/402388596.db2.gz MUDZJGCQBJTUHM-UHFFFAOYSA-N 1 0 313.376 2.399 20 70 DEIDRO CSC1(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)CCOCC1 ZINC000161213854 402377710 /nfs/dbraw/zinc/37/77/10/402377710.db2.gz WIWLSLSWCBKKSE-ZDUSSCGKSA-N 1 0 314.495 2.041 20 70 DEIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000161273123 402380085 /nfs/dbraw/zinc/38/00/85/402380085.db2.gz LXEAXXYCNQSLNV-INIZCTEOSA-N 1 0 308.466 2.382 20 70 DEIDRO CCN(CCC(=O)c1ccc(C)cc1)[C@H](C)CS(C)(=O)=O ZINC000159657514 402327532 /nfs/dbraw/zinc/32/75/32/402327532.db2.gz AJEJUUFJNQTRBV-CQSZACIVSA-N 1 0 311.447 2.323 20 70 DEIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000161400052 402386217 /nfs/dbraw/zinc/38/62/17/402386217.db2.gz DQBYRVJAQMRWJR-HOCLYGCPSA-N 1 0 304.434 2.347 20 70 DEIDRO COC(=O)Nc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159740990 402329435 /nfs/dbraw/zinc/32/94/35/402329435.db2.gz LGNVGMMCTDIJDO-UHFFFAOYSA-N 1 0 305.378 2.256 20 70 DEIDRO COC1(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)CC[NH2+]CC1 ZINC000159894169 402332608 /nfs/dbraw/zinc/33/26/08/402332608.db2.gz PFFWSHTVMQZHTD-HOTGVXAUSA-N 1 0 316.445 2.468 20 70 DEIDRO CO[C@@H](C)c1nc(CSCCN2CCOCC2)cs1 ZINC000160001152 402334823 /nfs/dbraw/zinc/33/48/23/402334823.db2.gz MCHBPVSTPHKPFD-NSHDSACASA-N 1 0 302.465 2.416 20 70 DEIDRO COCCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159985531 402335036 /nfs/dbraw/zinc/33/50/36/402335036.db2.gz UIWUWCBNOKXPCP-RDJZCZTQSA-N 1 0 319.449 2.327 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3OC)CC1 ZINC000159987684 402335246 /nfs/dbraw/zinc/33/52/46/402335246.db2.gz PLGFTUKFNPJXMB-MRXNPFEDSA-N 1 0 317.433 2.420 20 70 DEIDRO COCC(C)(C)NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160199408 402338296 /nfs/dbraw/zinc/33/82/96/402338296.db2.gz ZNGFEQAAIKDJJQ-ZBFHGGJFSA-N 1 0 319.449 2.374 20 70 DEIDRO CCN(CC(=O)NCc1ccc(F)cc1)Cc1cn(C)nc1C ZINC000160230321 402338786 /nfs/dbraw/zinc/33/87/86/402338786.db2.gz JLQIYIXGAYLCQO-UHFFFAOYSA-N 1 0 318.396 2.006 20 70 DEIDRO Cc1c(CNC(=O)NCCCC[NH+]2CCC(C)CC2)cnn1C ZINC000160257406 402339198 /nfs/dbraw/zinc/33/91/98/402339198.db2.gz MKPYNUYDLLDRDA-UHFFFAOYSA-N 1 0 321.469 2.040 20 70 DEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+](CC)CC)C12CCC2 ZINC000160636705 286237227 /nfs/dbraw/zinc/23/72/27/286237227.db2.gz SZZCGOCEKNZIGS-HUUCEWRRSA-N 1 0 311.470 2.317 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(Br)cs1 ZINC000161166354 273964532 /nfs/dbraw/zinc/96/45/32/273964532.db2.gz DPYIIGHKTFBTGE-VIFPVBQESA-N 1 0 303.225 2.335 20 70 DEIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000159566650 274266315 /nfs/dbraw/zinc/26/63/15/274266315.db2.gz HGTMOJCWULWQLJ-ZWNOBZJWSA-N 1 0 316.323 2.123 20 70 DEIDRO COC(=O)[C@H]1Cc2ccccc2CN1CCC[NH+]1CCCCC1 ZINC000160472930 277409588 /nfs/dbraw/zinc/40/95/88/277409588.db2.gz CWDNHYDRDMPJQC-GOSISDBHSA-N 1 0 316.445 2.462 20 70 DEIDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCOC1 ZINC000160676579 278268711 /nfs/dbraw/zinc/26/87/11/278268711.db2.gz KKILRAPHCLLTBR-UAGQMJEPSA-N 1 0 302.418 2.365 20 70 DEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@H](C)c1ccccc1)C(=O)OC ZINC000159650489 521440723 /nfs/dbraw/zinc/44/07/23/521440723.db2.gz SCLSZNJIWPDYPE-CQSZACIVSA-N 1 0 320.433 2.433 20 70 DEIDRO COc1cc(C)cc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159998234 522239590 /nfs/dbraw/zinc/23/95/90/522239590.db2.gz FFYRFSPSARQTKT-HIFRSBDPSA-N 1 0 317.433 2.428 20 70 DEIDRO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160543671 524051048 /nfs/dbraw/zinc/05/10/48/524051048.db2.gz HRIXHTISQOQIPZ-IRXDYDNUSA-N 1 0 323.481 2.317 20 70 DEIDRO C[NH+](C)CCCOC1CCN(C(=O)CCCn2cccc2)CC1 ZINC000159805923 524057553 /nfs/dbraw/zinc/05/75/53/524057553.db2.gz KQAIIVGCQQJMNH-UHFFFAOYSA-N 1 0 321.465 2.228 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1OCC1CC1 ZINC000160100543 525545208 /nfs/dbraw/zinc/54/52/08/525545208.db2.gz WAAWCVJXTNIZGP-CQSZACIVSA-N 1 0 308.447 2.172 20 70 DEIDRO COc1cccc(CCC[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000159415977 525884277 /nfs/dbraw/zinc/88/42/77/525884277.db2.gz SMDNVKYIFFSMDV-UHFFFAOYSA-N 1 0 317.433 2.117 20 70 DEIDRO C[C@@]1(c2ccccc2)CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000159646678 525899751 /nfs/dbraw/zinc/89/97/51/525899751.db2.gz OAYWAIQPXGCHLL-ICSRJNTNSA-N 1 0 324.424 2.331 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)C[NH2+]CC3CC3)cc2F)c1 ZINC000159777679 526249134 /nfs/dbraw/zinc/24/91/34/526249134.db2.gz ICMSTSZCJPRXKQ-UHFFFAOYSA-N 1 0 302.353 2.258 20 70 DEIDRO [NH3+]CC(=O)NCCCCSc1ccccc1Br ZINC000159546726 527160846 /nfs/dbraw/zinc/16/08/46/527160846.db2.gz LIYZRWRTBKDHSR-UHFFFAOYSA-N 1 0 317.252 2.396 20 70 DEIDRO C[C@@]1(c2ccccc2)CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000159646417 539583469 /nfs/dbraw/zinc/58/34/69/539583469.db2.gz OAYWAIQPXGCHLL-QUCCMNQESA-N 1 0 324.424 2.331 20 70 DEIDRO [NH3+][C@@H](CCC(=O)NCCCOC[C@@H]1CCOC1)c1ccccc1 ZINC000160583812 539587268 /nfs/dbraw/zinc/58/72/68/539587268.db2.gz VBAWVUDLAFKASG-RDJZCZTQSA-N 1 0 320.433 2.026 20 70 DEIDRO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160766985 539587953 /nfs/dbraw/zinc/58/79/53/539587953.db2.gz DZGLJYFBYJNCPZ-FZMZJTMJSA-N 1 0 308.447 2.438 20 70 DEIDRO CCCn1nccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000160089576 539584834 /nfs/dbraw/zinc/58/48/34/539584834.db2.gz IIONRLNQVMHOCP-LBPRGKRZSA-N 1 0 304.360 2.267 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000161334293 539591368 /nfs/dbraw/zinc/59/13/68/539591368.db2.gz GBSIZKJSBIRBNE-QWRGUYRKSA-N 1 0 317.311 2.022 20 70 DEIDRO Cc1cc(Br)ccc1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000159545743 186126146 /nfs/dbraw/zinc/12/61/46/186126146.db2.gz JOGYOCZOQUVRFA-LBPRGKRZSA-N 1 0 311.223 2.373 20 70 DEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](O)c2ccccc2)C1 ZINC000159667519 186133893 /nfs/dbraw/zinc/13/38/93/186133893.db2.gz GDNDWSDXFIWWLD-BFYDXBDKSA-N 1 0 304.434 2.204 20 70 DEIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159739001 186138497 /nfs/dbraw/zinc/13/84/97/186138497.db2.gz CDZLCWRMYOXMQW-HIFRSBDPSA-N 1 0 311.470 2.052 20 70 DEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(=O)NC1CCCCC1 ZINC000159650086 355962070 /nfs/dbraw/zinc/96/20/70/355962070.db2.gz DXRUOUXBIIAVLK-ZFWWWQNUSA-N 1 0 307.438 2.409 20 70 DEIDRO CC(C)c1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)on1 ZINC000160000542 355962987 /nfs/dbraw/zinc/96/29/87/355962987.db2.gz VUDYDGJTDMZBOY-HNNXBMFYSA-N 1 0 308.426 2.280 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000159950493 355963147 /nfs/dbraw/zinc/96/31/47/355963147.db2.gz HQDFBCYYDCXSPE-BXUZGUMPSA-N 1 0 308.426 2.334 20 70 DEIDRO Cc1nc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)sc1C ZINC000160385145 197405214 /nfs/dbraw/zinc/40/52/14/197405214.db2.gz QGMVCCITFXNOCN-JRPNMDOOSA-N 1 0 309.435 2.231 20 70 DEIDRO O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CCCC[NH2+]1 ZINC000160274246 197397571 /nfs/dbraw/zinc/39/75/71/197397571.db2.gz IABKQBWJKPKVGA-STQMWFEESA-N 1 0 304.415 2.193 20 70 DEIDRO C[C@@](O)(CNc1cc[nH+]cc1C(N)=O)c1ccccc1Cl ZINC000160157769 197389668 /nfs/dbraw/zinc/38/96/68/197389668.db2.gz KKCFBEXPPGYWKJ-OAHLLOKOSA-N 1 0 305.765 2.154 20 70 DEIDRO [NH3+]C[C@@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000160131375 197387746 /nfs/dbraw/zinc/38/77/46/197387746.db2.gz XPSHKNJFZPVRMH-JTQLQIEISA-N 1 0 303.189 2.322 20 70 DEIDRO Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1C ZINC000159932265 197374553 /nfs/dbraw/zinc/37/45/53/197374553.db2.gz VBXRDOVFEMQJEU-HNNXBMFYSA-N 1 0 310.463 2.278 20 70 DEIDRO O=C(NC(c1cccs1)c1cccs1)[C@@H]1C[NH2+]CCO1 ZINC000159927331 197373991 /nfs/dbraw/zinc/37/39/91/197373991.db2.gz JOBLVDDRKLRDEM-JTQLQIEISA-N 1 0 308.428 2.004 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000159912148 197372564 /nfs/dbraw/zinc/37/25/64/197372564.db2.gz MHAMUXIUPXWSTO-LBPRGKRZSA-N 1 0 322.352 2.063 20 70 DEIDRO C[NH+](C)CCN(C(=O)NCCc1cccnc1)C1CCCC1 ZINC000159923599 291661351 /nfs/dbraw/zinc/66/13/51/291661351.db2.gz CAKKIBHRFVPWFO-UHFFFAOYSA-N 1 0 304.438 2.140 20 70 DEIDRO OCC1(C[NH2+]C[C@@H](O)COc2ccccc2Cl)CCCC1 ZINC000160156740 291663174 /nfs/dbraw/zinc/66/31/74/291663174.db2.gz AJFANTQGIKYZOG-CYBMUJFWSA-N 1 0 313.825 2.222 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000159786750 197364523 /nfs/dbraw/zinc/36/45/23/197364523.db2.gz CWGPBGMDMKTTPN-UHFFFAOYSA-N 1 0 311.376 2.245 20 70 DEIDRO CC(C)[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159705702 197361661 /nfs/dbraw/zinc/36/16/61/197361661.db2.gz FBDFNXAFXKSMMO-IAGOWNOFSA-N 1 0 304.434 2.032 20 70 DEIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000159537681 197360361 /nfs/dbraw/zinc/36/03/61/197360361.db2.gz BJOZDOMPDAUYHM-BQFCYCMXSA-N 1 0 320.408 2.281 20 70 DEIDRO COc1cc2c(c(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)c1)O[C@H](C)C2 ZINC000159515742 197359298 /nfs/dbraw/zinc/35/92/98/197359298.db2.gz GTSYRTOTAZUTQS-JHJVBQTASA-N 1 0 318.417 2.104 20 70 DEIDRO Cc1cccc([C@@H](C)[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159392827 402322583 /nfs/dbraw/zinc/32/25/83/402322583.db2.gz FCBVMOPBTQLDLC-CRAIPNDOSA-N 1 0 315.461 2.470 20 70 DEIDRO CCc1nnc(CN2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000159467538 402323925 /nfs/dbraw/zinc/32/39/25/402323925.db2.gz QDIWDNAMCBLQQV-UHFFFAOYSA-N 1 0 305.470 2.455 20 70 DEIDRO CCn1ccnc1C[NH2+]C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000217804706 402293823 /nfs/dbraw/zinc/29/38/23/402293823.db2.gz KKIPEKGVSDCENM-CYBMUJFWSA-N 1 0 310.442 2.496 20 70 DEIDRO CC1(C)[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000159541049 402325477 /nfs/dbraw/zinc/32/54/77/402325477.db2.gz PFOWTDKWPDTNTJ-DIECFANBSA-N 1 0 302.418 2.396 20 70 DEIDRO CN(CC1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000159570278 402325875 /nfs/dbraw/zinc/32/58/75/402325875.db2.gz DIJGUNFIQLLGMM-KRWDZBQOSA-N 1 0 323.481 2.319 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000160393476 402343581 /nfs/dbraw/zinc/34/35/81/402343581.db2.gz WAQADHHECKMVNZ-OAHLLOKOSA-N 1 0 318.417 2.194 20 70 DEIDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000160509765 402348687 /nfs/dbraw/zinc/34/86/87/402348687.db2.gz VCEVQHHKAHFECY-KCPJHIHWSA-N 1 0 308.397 2.488 20 70 DEIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160514882 402348716 /nfs/dbraw/zinc/34/87/16/402348716.db2.gz ZZEMEFVSUJMEMB-RHSMWYFYSA-N 1 0 322.424 2.282 20 70 DEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3nc(C)sc31)CC2 ZINC000160504696 402349015 /nfs/dbraw/zinc/34/90/15/402349015.db2.gz KIZXUJOPGICERG-DGCLKSJQSA-N 1 0 303.435 2.333 20 70 DEIDRO CCN(C)C(=O)c1cccc(C(=O)NCC([NH3+])(CC)CC)c1 ZINC000160557210 402351428 /nfs/dbraw/zinc/35/14/28/402351428.db2.gz LPBZRHWPYRIQOZ-UHFFFAOYSA-N 1 0 305.422 2.026 20 70 DEIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC[C@@H]21 ZINC000160587759 402352750 /nfs/dbraw/zinc/35/27/50/402352750.db2.gz WLRVPHOIIDLYEF-YVSFHVDLSA-N 1 0 321.465 2.070 20 70 DEIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000160690961 402357252 /nfs/dbraw/zinc/35/72/52/402357252.db2.gz SPLKHEFDRYXMTJ-LSDHHAIUSA-N 1 0 323.437 2.267 20 70 DEIDRO COc1cccc(C[N@H+](CC(OC)OC)C[C@@H]2CCCO2)c1 ZINC000160699463 402357489 /nfs/dbraw/zinc/35/74/89/402357489.db2.gz FJKBHBRBLRAMCN-INIZCTEOSA-N 1 0 309.406 2.295 20 70 DEIDRO CCCCN(CCO)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160909385 402365268 /nfs/dbraw/zinc/36/52/68/402365268.db2.gz TVEDCWLPGBGJOM-INIZCTEOSA-N 1 0 313.486 2.301 20 70 DEIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000160928454 402365751 /nfs/dbraw/zinc/36/57/51/402365751.db2.gz YRRWMQHEJVTXNW-OAHLLOKOSA-N 1 0 309.417 2.441 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1OC1CCOCC1 ZINC000160940077 402366303 /nfs/dbraw/zinc/36/63/03/402366303.db2.gz QKOMCRJEISKPGS-CQSZACIVSA-N 1 0 318.417 2.491 20 70 DEIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160969008 402367853 /nfs/dbraw/zinc/36/78/53/402367853.db2.gz SIKNUJNDUWTSQV-NEPJUHHUSA-N 1 0 305.205 2.126 20 70 DEIDRO O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCC[NH2+]1 ZINC000161038575 402370349 /nfs/dbraw/zinc/37/03/49/402370349.db2.gz KULVMFHWICRISP-HRCADAONSA-N 1 0 304.390 2.059 20 70 DEIDRO CC[C@](C)(O)C[NH+]1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000161162244 402375817 /nfs/dbraw/zinc/37/58/17/402375817.db2.gz NENWNAKOEJQKFC-KRWDZBQOSA-N 1 0 305.418 2.354 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000161185075 402376522 /nfs/dbraw/zinc/37/65/22/402376522.db2.gz LITNZKIWCXXGBU-CYBMUJFWSA-N 1 0 311.451 2.407 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000161246317 402379036 /nfs/dbraw/zinc/37/90/36/402379036.db2.gz GOXCMJWDYHNADG-ZFWWWQNUSA-N 1 0 317.433 2.062 20 70 DEIDRO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000159681096 402328546 /nfs/dbraw/zinc/32/85/46/402328546.db2.gz URXZZATXVKLCDF-HOCLYGCPSA-N 1 0 322.449 2.053 20 70 DEIDRO C[NH+](C)CCCC1CCN(C(=O)NCCCn2cccn2)CC1 ZINC000160182063 402337703 /nfs/dbraw/zinc/33/77/03/402337703.db2.gz XKNFEUWBCUVRSU-UHFFFAOYSA-N 1 0 321.469 2.037 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160239500 402338754 /nfs/dbraw/zinc/33/87/54/402338754.db2.gz RXYDUACLIJLSBJ-DOTOQJQBSA-N 1 0 323.481 2.460 20 70 DEIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160926260 287194587 /nfs/dbraw/zinc/19/45/87/287194587.db2.gz PKOSIUUKWKMVAN-COXVUDFISA-N 1 0 302.418 2.411 20 70 DEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)n(C)nc2C(C)C)C1 ZINC000161320987 276212264 /nfs/dbraw/zinc/21/22/64/276212264.db2.gz GSQIAILYXOQNCT-NSHDSACASA-N 1 0 312.845 2.269 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384433 277925390 /nfs/dbraw/zinc/92/53/90/277925390.db2.gz QTUZZEAFHMKURY-MFKMUULPSA-N 1 0 304.369 2.400 20 70 DEIDRO CC(C)c1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000161405245 519835117 /nfs/dbraw/zinc/83/51/17/519835117.db2.gz NEIFPRFLFUALOD-GASCZTMLSA-N 1 0 319.449 2.434 20 70 DEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccncc1C ZINC000161133917 521593958 /nfs/dbraw/zinc/59/39/58/521593958.db2.gz YHAMKVABZFPTRX-MRXNPFEDSA-N 1 0 304.438 2.106 20 70 DEIDRO CN(CCC1CCOCC1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160353856 522714649 /nfs/dbraw/zinc/71/46/49/522714649.db2.gz WKZARPWCYXTCJA-UHFFFAOYSA-N 1 0 319.449 2.301 20 70 DEIDRO C[N@H+](CCCNC(=O)NOCc1cccnc1)C1CCCCC1 ZINC000161075044 522762394 /nfs/dbraw/zinc/76/23/94/522762394.db2.gz FONYUYJTXLUEGB-UHFFFAOYSA-N 1 0 320.437 2.467 20 70 DEIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000159444704 524889271 /nfs/dbraw/zinc/88/92/71/524889271.db2.gz DHKKSRIWINIDAH-XJKSGUPXSA-N 1 0 324.852 2.498 20 70 DEIDRO Cc1c(/C=C/C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000159361053 525516555 /nfs/dbraw/zinc/51/65/55/525516555.db2.gz FHPCBUYLRHMCOC-XVJNWHFHSA-N 1 0 318.465 2.370 20 70 DEIDRO C[C@H](Oc1cccnc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159696367 525967629 /nfs/dbraw/zinc/96/76/29/525967629.db2.gz LLCZUYHTCFRPJX-AWEZNQCLSA-N 1 0 305.422 2.278 20 70 DEIDRO C[C@H](C(=O)NCCCOC1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000160941205 526045877 /nfs/dbraw/zinc/04/58/77/526045877.db2.gz WDAQBEJDJAYFJX-YOEHRIQHSA-N 1 0 320.433 2.024 20 70 DEIDRO O=C([C@H]1CCC[NH2+]C1)N(Cc1ccccc1)CC1CCOCC1 ZINC000159659022 526541776 /nfs/dbraw/zinc/54/17/76/526541776.db2.gz PRFCAHCAGAGUHU-SFHVURJKSA-N 1 0 316.445 2.441 20 70 DEIDRO CN(CC1CC1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159388083 282176643 /nfs/dbraw/zinc/17/66/43/282176643.db2.gz GJFWOZPAGLAQNH-LBPRGKRZSA-N 1 0 315.186 2.456 20 70 DEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CC1([NH3+])CCC1 ZINC000161062453 539589089 /nfs/dbraw/zinc/58/90/89/539589089.db2.gz BJVAXBCKXRVIPC-UHFFFAOYSA-N 1 0 317.433 2.362 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160000082 539584847 /nfs/dbraw/zinc/58/48/47/539584847.db2.gz MAVRBKFYVHEHGF-UHIISALHSA-N 1 0 320.437 2.319 20 70 DEIDRO COc1cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)ccc1F ZINC000160343497 539586355 /nfs/dbraw/zinc/58/63/55/539586355.db2.gz HUTAUHOVKDQFLC-LBPRGKRZSA-N 1 0 306.259 2.315 20 70 DEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000159512040 355961112 /nfs/dbraw/zinc/96/11/12/355961112.db2.gz XNCDWKMNLDYUSH-LBPRGKRZSA-N 1 0 319.430 2.404 20 70 DEIDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc12 ZINC000159526179 355961922 /nfs/dbraw/zinc/96/19/22/355961922.db2.gz DIQPOFKTFSJDAF-IMJJTQAJSA-N 1 0 312.417 2.324 20 70 DEIDRO O=C(NCCCNc1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160731633 355966840 /nfs/dbraw/zinc/96/68/40/355966840.db2.gz GTMUTRHOFLYCFM-QGZVFWFLSA-N 1 0 316.449 2.272 20 70 DEIDRO CC[C@](C)(O)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160081233 197384372 /nfs/dbraw/zinc/38/43/72/197384372.db2.gz JASRXPSERDVBTJ-ZVZYQTTQSA-N 1 0 319.449 2.110 20 70 DEIDRO [NH3+]CCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000160022272 197379963 /nfs/dbraw/zinc/37/99/63/197379963.db2.gz USEWXAWXMDAESW-UHFFFAOYSA-N 1 0 307.781 2.393 20 70 DEIDRO CCOc1ccc(-c2nc(C(=O)NCCC[NH3+])cs2)cc1 ZINC000160004506 197379274 /nfs/dbraw/zinc/37/92/74/197379274.db2.gz LGANRAHHLYVCRV-UHFFFAOYSA-N 1 0 305.403 2.287 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000159964838 197376734 /nfs/dbraw/zinc/37/67/34/197376734.db2.gz QXPPMZKMAUAWME-OAHLLOKOSA-N 1 0 310.463 2.342 20 70 DEIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000159964107 197376862 /nfs/dbraw/zinc/37/68/62/197376862.db2.gz IGMUCNUOLXKARM-LBPRGKRZSA-N 1 0 323.245 2.351 20 70 DEIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1OC ZINC000159964545 197376612 /nfs/dbraw/zinc/37/66/12/197376612.db2.gz RGKVKCKZIWRSCA-MNOVXSKESA-N 1 0 310.369 2.020 20 70 DEIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000159912291 197372451 /nfs/dbraw/zinc/37/24/51/197372451.db2.gz MHAMUXIUPXWSTO-GFCCVEGCSA-N 1 0 322.352 2.063 20 70 DEIDRO C[C@@H](CNC(=O)NCc1ncccc1F)C[NH+]1CCCCC1 ZINC000159686003 291657297 /nfs/dbraw/zinc/65/72/97/291657297.db2.gz NQPCVFLGDRMFLG-ZDUSSCGKSA-N 1 0 308.401 2.142 20 70 DEIDRO C[C@H](CNC(=O)NCc1ncccc1F)[NH+]1CCC(C)CC1 ZINC000159785322 291658963 /nfs/dbraw/zinc/65/89/63/291658963.db2.gz NURQQZXPRLCJSC-CYBMUJFWSA-N 1 0 308.401 2.140 20 70 DEIDRO C[N@H+](C[C@H]1CCC[C@@H]1O)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000159806451 197365394 /nfs/dbraw/zinc/36/53/94/197365394.db2.gz FAQSMDCNHNWDKB-PVAVHDDUSA-N 1 0 302.418 2.099 20 70 DEIDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1C(=O)NC(C)C ZINC000159499835 197358476 /nfs/dbraw/zinc/35/84/76/197358476.db2.gz NMIPSQQHKYEEIY-ZDUSSCGKSA-N 1 0 303.406 2.071 20 70 DEIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000159513336 197360087 /nfs/dbraw/zinc/36/00/87/197360087.db2.gz FLDJLUXUHNNYNZ-MAZHCROVSA-N 1 0 311.447 2.434 20 70 DEIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000159458224 197355367 /nfs/dbraw/zinc/35/53/67/197355367.db2.gz HKNJZOGLZASUHI-ZDUSSCGKSA-N 1 0 302.465 2.042 20 70 DEIDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cnn1CC(C)C ZINC000159422563 197352453 /nfs/dbraw/zinc/35/24/53/197352453.db2.gz PFNONTKQJQCRBK-CQSZACIVSA-N 1 0 306.454 2.309 20 70 DEIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159414967 197351992 /nfs/dbraw/zinc/35/19/92/197351992.db2.gz ATQHDRSRIAVRGP-ZDUSSCGKSA-N 1 0 306.406 2.286 20 70 DEIDRO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000159370309 197348353 /nfs/dbraw/zinc/34/83/53/197348353.db2.gz CZKZXXGLTFETMM-CQSZACIVSA-N 1 0 310.463 2.317 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(F)c1 ZINC000160329206 402340916 /nfs/dbraw/zinc/34/09/16/402340916.db2.gz BLKKNMCVRXUURX-PWSUYJOCSA-N 1 0 304.369 2.400 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000160335072 402341468 /nfs/dbraw/zinc/34/14/68/402341468.db2.gz QSWYPXXCWDNJBR-GFCCVEGCSA-N 1 0 314.788 2.056 20 70 DEIDRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160354522 402342031 /nfs/dbraw/zinc/34/20/31/402342031.db2.gz DDOJBUATILXKAO-QGZVFWFLSA-N 1 0 311.470 2.055 20 70 DEIDRO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)NCC(F)(F)F ZINC000160526985 402349139 /nfs/dbraw/zinc/34/91/39/402349139.db2.gz BHOOJFRFWHRUNC-CYBMUJFWSA-N 1 0 300.324 2.276 20 70 DEIDRO O=C(CNC1CC[NH+](C2CCCCC2)CC1)NCC(F)(F)F ZINC000160521914 402349459 /nfs/dbraw/zinc/34/94/59/402349459.db2.gz AYZDVHHSYZASCV-UHFFFAOYSA-N 1 0 321.387 2.052 20 70 DEIDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160569030 402351201 /nfs/dbraw/zinc/35/12/01/402351201.db2.gz CQGKEORPCKCSSS-CVEARBPZSA-N 1 0 309.454 2.070 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000160571608 402351675 /nfs/dbraw/zinc/35/16/75/402351675.db2.gz LXMWLNIZVKSWIP-CQSZACIVSA-N 1 0 315.442 2.097 20 70 DEIDRO CC(C)(CC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160615721 402354039 /nfs/dbraw/zinc/35/40/39/402354039.db2.gz MNPGJRUNNBMNRJ-UHFFFAOYSA-N 1 0 318.461 2.175 20 70 DEIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160630700 402354586 /nfs/dbraw/zinc/35/45/86/402354586.db2.gz NWCSMYRXVYKTFM-DLBZAZTESA-N 1 0 319.449 2.284 20 70 DEIDRO CSc1ccc(C)c(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160651843 402355553 /nfs/dbraw/zinc/35/55/53/402355553.db2.gz JARFNIQNDXQNLG-UHFFFAOYSA-N 1 0 322.474 2.151 20 70 DEIDRO C[C@H](CC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160720246 402358670 /nfs/dbraw/zinc/35/86/70/402358670.db2.gz VTJNFKHJLXDGCJ-OAHLLOKOSA-N 1 0 304.434 2.001 20 70 DEIDRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160832148 402362651 /nfs/dbraw/zinc/36/26/51/402362651.db2.gz ODARJPPBAONTGS-WBVHZDCISA-N 1 0 322.424 2.343 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000160907563 402365343 /nfs/dbraw/zinc/36/53/43/402365343.db2.gz BZPXMEMZXYFEHF-LSDHHAIUSA-N 1 0 311.470 2.365 20 70 DEIDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161001530 402368797 /nfs/dbraw/zinc/36/87/97/402368797.db2.gz YZJODEWTJZBZJU-CJNGLKHVSA-N 1 0 319.449 2.206 20 70 DEIDRO Cc1c(/C=C/C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000160994049 402368980 /nfs/dbraw/zinc/36/89/80/402368980.db2.gz USRMPPIOIIASQI-MNZAGANASA-N 1 0 318.465 2.224 20 70 DEIDRO C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000161111307 402373355 /nfs/dbraw/zinc/37/33/55/402373355.db2.gz QYIAIFVQBHWEIR-RISCZKNCSA-N 1 0 307.825 2.493 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)NCC2(CCOC)CC2)CC1 ZINC000161161331 402375956 /nfs/dbraw/zinc/37/59/56/402375956.db2.gz QEWZYBQCCCKADW-UHFFFAOYSA-N 1 0 311.470 2.319 20 70 DEIDRO Cc1cnn(-c2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2F)c1 ZINC000161232475 402378404 /nfs/dbraw/zinc/37/84/04/402378404.db2.gz UWUKXAXWUUEHDI-AWEZNQCLSA-N 1 0 302.353 2.400 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cnn(C)c(=O)c2Cl)C1 ZINC000161316328 402382231 /nfs/dbraw/zinc/38/22/31/402382231.db2.gz WHFIMWQIEGUZEV-GFCCVEGCSA-N 1 0 312.845 2.214 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCN2c3ccccc3C[C@H]2C)CC1 ZINC000161369001 402384504 /nfs/dbraw/zinc/38/45/04/402384504.db2.gz ORYIKLDJJCPIKE-RWBZWWBESA-N 1 0 315.461 2.475 20 70 DEIDRO O=C(CCCOc1cccnc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159865116 402331900 /nfs/dbraw/zinc/33/19/00/402331900.db2.gz YKWBTAKSNKFFFN-UHFFFAOYSA-N 1 0 317.433 2.231 20 70 DEIDRO Cc1cccc(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000160209812 402337974 /nfs/dbraw/zinc/33/79/74/402337974.db2.gz QKBFKOFKWYKAJE-QGZVFWFLSA-N 1 0 303.450 2.230 20 70 DEIDRO C[C@@H](CCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160202961 402338184 /nfs/dbraw/zinc/33/81/84/402338184.db2.gz RKSNXOQYXHWTIK-GJZGRUSLSA-N 1 0 319.449 2.282 20 70 DEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C)CC2)C12CCC2 ZINC000160714214 286318658 /nfs/dbraw/zinc/31/86/58/286318658.db2.gz GHLTUMDJLGWORJ-LSDHHAIUSA-N 1 0 309.454 2.070 20 70 DEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000159995030 275004886 /nfs/dbraw/zinc/00/48/86/275004886.db2.gz NWBNGUNFKCDWJP-LLVKDONJSA-N 1 0 309.207 2.338 20 70 DEIDRO C[C@@H]1C[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C ZINC000160659920 278027700 /nfs/dbraw/zinc/02/77/00/278027700.db2.gz XPGAHWZLCJSHRI-NXHRZFHOSA-N 1 0 315.461 2.422 20 70 DEIDRO CC(C)[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)N1CCCC1=O ZINC000159704696 279787185 /nfs/dbraw/zinc/78/71/85/279787185.db2.gz WAMAMQMRCOOCKN-KRWDZBQOSA-N 1 0 323.481 2.062 20 70 DEIDRO C[NH+](C)Cc1cccc(CNC(=O)NOCc2cccnc2)c1 ZINC000161089202 521924407 /nfs/dbraw/zinc/92/44/07/521924407.db2.gz DGVPTOVHWRCLTG-UHFFFAOYSA-N 1 0 314.389 2.074 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C1 ZINC000160600408 522392677 /nfs/dbraw/zinc/39/26/77/522392677.db2.gz NHIVAJGILABIAW-CQSZACIVSA-N 1 0 306.406 2.164 20 70 DEIDRO C[NH+](C)C1CCN(CCNc2nc(C(C)(C)C)ns2)CC1 ZINC000159833563 524040321 /nfs/dbraw/zinc/04/03/21/524040321.db2.gz BADSQARBUZWCGY-UHFFFAOYSA-N 1 0 311.499 2.274 20 70 DEIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2cccnc2)CC1 ZINC000160147056 524051812 /nfs/dbraw/zinc/05/18/12/524051812.db2.gz RHIROKMBERZPDG-UHFFFAOYSA-N 1 0 318.465 2.388 20 70 DEIDRO COc1cccc([C@@H](CNC(=O)C2=C(C)OCCC2)[NH+](C)C)c1 ZINC000160371765 524094979 /nfs/dbraw/zinc/09/49/79/524094979.db2.gz RYRWYHDBGXEVGV-QGZVFWFLSA-N 1 0 318.417 2.499 20 70 DEIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CCOCC1 ZINC000160505512 525463091 /nfs/dbraw/zinc/46/30/91/525463091.db2.gz WCMMIJDUQQYCEX-INIZCTEOSA-N 1 0 318.461 2.424 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160385124 525578202 /nfs/dbraw/zinc/57/82/02/525578202.db2.gz SUMQOSOTYDSKIT-ZFWWWQNUSA-N 1 0 310.438 2.297 20 70 DEIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160408888 525641835 /nfs/dbraw/zinc/64/18/35/525641835.db2.gz NGRNAZIDIXHDJV-GXTWGEPZSA-N 1 0 306.435 2.032 20 70 DEIDRO Cc1nc(CCNC(=O)N(CC[NH+](C)C)C(C)C)sc1C ZINC000159712222 526816702 /nfs/dbraw/zinc/81/67/02/526816702.db2.gz JGLFTMNIQXYSRX-UHFFFAOYSA-N 1 0 312.483 2.284 20 70 DEIDRO NC(=O)[C@H](NC1CC=CC1)c1ccc(Br)cc1F ZINC000160891263 539588443 /nfs/dbraw/zinc/58/84/43/539588443.db2.gz YVRYRYXDYJJUCM-GFCCVEGCSA-N 1 0 313.170 2.423 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000161121868 539589113 /nfs/dbraw/zinc/58/91/13/539589113.db2.gz QEBZKFXUPRUQFA-HOTGVXAUSA-N 1 0 312.417 2.191 20 70 DEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000161125361 539589465 /nfs/dbraw/zinc/58/94/65/539589465.db2.gz OEIWXZARQSWWRQ-RYUDHWBXSA-N 1 0 324.808 2.040 20 70 DEIDRO CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000161402121 539591240 /nfs/dbraw/zinc/59/12/40/539591240.db2.gz XZHBBBUHWUXCCY-ZIAGYGMSSA-N 1 0 306.406 2.484 20 70 DEIDRO c1cc2nc(-c3ccccc3)cc(N3C[C@@H]4C[NH2+]C[C@H]4C3)n2n1 ZINC000216922653 539726350 /nfs/dbraw/zinc/72/63/50/539726350.db2.gz ZBCXYHNYJJPTFM-GJZGRUSLSA-N 1 0 305.385 2.052 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000159549312 186126617 /nfs/dbraw/zinc/12/66/17/186126617.db2.gz MDIQSCRTPAXPFT-ZDUSSCGKSA-N 1 0 315.421 2.361 20 70 DEIDRO C[N@@H+](CC(=O)N1CCCc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159569318 186127911 /nfs/dbraw/zinc/12/79/11/186127911.db2.gz BNFZFIAZPLALAA-WBVHZDCISA-N 1 0 302.418 2.059 20 70 DEIDRO Cc1ccc(N2CC[C@@H]([N@H+](C)C[C@@H]3CCC[C@@H]3O)C2=O)cc1 ZINC000159588938 186129122 /nfs/dbraw/zinc/12/91/22/186129122.db2.gz CWIJMQSHMAWKOZ-UAGQMJEPSA-N 1 0 302.418 2.193 20 70 DEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000160650094 355965025 /nfs/dbraw/zinc/96/50/25/355965025.db2.gz SODJZQUEMYJXFY-GJZGRUSLSA-N 1 0 317.437 2.131 20 70 DEIDRO CCC1CCN([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)CC1 ZINC000218295607 356273339 /nfs/dbraw/zinc/27/33/39/356273339.db2.gz BOWRPJLXTWRMLH-HNNXBMFYSA-N 1 0 302.374 2.146 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)Cc1csc(-c2cccnc2)n1 ZINC000160490799 197415649 /nfs/dbraw/zinc/41/56/49/197415649.db2.gz RDMKITPSMIZEFZ-UHFFFAOYSA-N 1 0 318.446 2.381 20 70 DEIDRO CCC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000160472367 197414080 /nfs/dbraw/zinc/41/40/80/197414080.db2.gz MTHNEQOXYMIUEP-OAHLLOKOSA-N 1 0 311.470 2.460 20 70 DEIDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000160239955 197395187 /nfs/dbraw/zinc/39/51/87/197395187.db2.gz SLHHPGUCWVSZFO-CABCVRRESA-N 1 0 306.406 2.086 20 70 DEIDRO CC[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)[NH+](C)C ZINC000160043436 197382047 /nfs/dbraw/zinc/38/20/47/197382047.db2.gz NXXJEGDIAMGCJZ-CQSZACIVSA-N 1 0 306.406 2.416 20 70 DEIDRO CC[C@](C)(O)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160080993 197384649 /nfs/dbraw/zinc/38/46/49/197384649.db2.gz JASRXPSERDVBTJ-LESCRADOSA-N 1 0 319.449 2.110 20 70 DEIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NCCC[NH3+] ZINC000160027589 197380009 /nfs/dbraw/zinc/38/00/09/197380009.db2.gz ICVNMEDHHDONBW-UHFFFAOYSA-N 1 0 323.400 2.197 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159612471 291656702 /nfs/dbraw/zinc/65/67/02/291656702.db2.gz SFVKWNBKQHUPJC-HNNXBMFYSA-N 1 0 311.470 2.367 20 70 DEIDRO CC[NH+]1CCC(CCNC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000159804167 291658821 /nfs/dbraw/zinc/65/88/21/291658821.db2.gz PXOZUNXMIFHKBG-ZIAGYGMSSA-N 1 0 311.470 2.364 20 70 DEIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000159815776 197366131 /nfs/dbraw/zinc/36/61/31/197366131.db2.gz XDUFAHMGTOMGDN-KRWDZBQOSA-N 1 0 316.445 2.222 20 70 DEIDRO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc(O)cc2Cl)[C@@H](C)C1 ZINC000159474494 197356739 /nfs/dbraw/zinc/35/67/39/197356739.db2.gz QDRYTECVKVPXKX-NHYWBVRUSA-N 1 0 310.825 2.433 20 70 DEIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1cscn1 ZINC000159370115 197348939 /nfs/dbraw/zinc/34/89/39/197348939.db2.gz RKNCZGPCYBCQFJ-AWEZNQCLSA-N 1 0 310.467 2.201 20 70 DEIDRO CCN(CCC[NH+]1CCCCC1)[C@@H](C)CS(=O)(=O)CC ZINC000161358153 284897075 /nfs/dbraw/zinc/89/70/75/284897075.db2.gz UURKWXRZFKLMFU-HNNXBMFYSA-N 1 0 304.500 2.008 20 70 DEIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160360095 402341973 /nfs/dbraw/zinc/34/19/73/402341973.db2.gz FCURBNXEDGUSII-CVEARBPZSA-N 1 0 311.470 2.173 20 70 DEIDRO CC[NH+](CC)CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160351787 402342112 /nfs/dbraw/zinc/34/21/12/402342112.db2.gz MJUYRTJOYPKVCD-INIZCTEOSA-N 1 0 321.421 2.318 20 70 DEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000160392307 402343586 /nfs/dbraw/zinc/34/35/86/402343586.db2.gz YTBCGLAFZWBHHN-ZBFHGGJFSA-N 1 0 318.392 2.389 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000160490107 402347817 /nfs/dbraw/zinc/34/78/17/402347817.db2.gz QHEPQHKOLJMEPA-UHFFFAOYSA-N 1 0 306.406 2.024 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160494489 402348147 /nfs/dbraw/zinc/34/81/47/402348147.db2.gz BTRHHNGKRSEGDW-OAHLLOKOSA-N 1 0 304.390 2.263 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1 ZINC000160537696 402350183 /nfs/dbraw/zinc/35/01/83/402350183.db2.gz KDTYBPOJPMERPD-RHSMWYFYSA-N 1 0 318.417 2.063 20 70 DEIDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccncc1 ZINC000160550432 402350868 /nfs/dbraw/zinc/35/08/68/402350868.db2.gz XJZLTWQSVWEXOO-GFCCVEGCSA-N 1 0 308.378 2.345 20 70 DEIDRO CC[C@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160651476 402355367 /nfs/dbraw/zinc/35/53/67/402355367.db2.gz GJZZUHVYOGSKHE-KRWDZBQOSA-N 1 0 304.434 2.001 20 70 DEIDRO Cc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160692169 402357321 /nfs/dbraw/zinc/35/73/21/402357321.db2.gz HDNZEOJQIJEPJB-ZWKOTPCHSA-N 1 0 316.445 2.493 20 70 DEIDRO CCc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160701592 402357333 /nfs/dbraw/zinc/35/73/33/402357333.db2.gz NAVINPKOQMUCCS-GOSISDBHSA-N 1 0 318.461 2.145 20 70 DEIDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000160692318 402357402 /nfs/dbraw/zinc/35/74/02/402357402.db2.gz HBNWSBFLBRTZGU-LLVKDONJSA-N 1 0 313.829 2.417 20 70 DEIDRO CC(C)COC(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160767637 402359578 /nfs/dbraw/zinc/35/95/78/402359578.db2.gz HJZPVVRQUZMYLW-UHFFFAOYSA-N 1 0 311.470 2.273 20 70 DEIDRO CC(C)NC(=O)C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000160948632 402366463 /nfs/dbraw/zinc/36/64/63/402366463.db2.gz VPIUPAXGRVJIMA-UHFFFAOYSA-N 1 0 309.841 2.423 20 70 DEIDRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000160953265 402367128 /nfs/dbraw/zinc/36/71/28/402367128.db2.gz RAIDZGAWPWILSD-OAHLLOKOSA-N 1 0 315.417 2.136 20 70 DEIDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160974375 402367660 /nfs/dbraw/zinc/36/76/60/402367660.db2.gz DLTYPOQCBVLRFL-CQSZACIVSA-N 1 0 317.433 2.126 20 70 DEIDRO CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000160970348 402367814 /nfs/dbraw/zinc/36/78/14/402367814.db2.gz GYZKWUXQTCTBOS-CVEARBPZSA-N 1 0 304.434 2.276 20 70 DEIDRO CCO[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCc3ccccc32)C12CCC2 ZINC000160997897 402368881 /nfs/dbraw/zinc/36/88/81/402368881.db2.gz AWAKOQNJVZOJTB-BBWFWOEESA-N 1 0 314.429 2.337 20 70 DEIDRO CC[C@H](CCO)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161016840 402369374 /nfs/dbraw/zinc/36/93/74/402369374.db2.gz OEEOTNLGMRRGSC-CVEARBPZSA-N 1 0 313.486 2.205 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022611 402369586 /nfs/dbraw/zinc/36/95/86/402369586.db2.gz XNBMUAPFLJNRMQ-UWJYBYFXSA-N 1 0 300.374 2.017 20 70 DEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161062016 402370738 /nfs/dbraw/zinc/37/07/38/402370738.db2.gz XZMGOBMYKKFHAB-HNNXBMFYSA-N 1 0 317.433 2.233 20 70 DEIDRO CCCC(O)(CCC)CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000161044490 402370802 /nfs/dbraw/zinc/37/08/02/402370802.db2.gz RLACWRLSKPHSGS-UHFFFAOYSA-N 1 0 310.442 2.105 20 70 DEIDRO CC[N@H+](CCNC(=O)Nc1cc(C(=O)OC)cs1)C1CC1 ZINC000161068091 402371382 /nfs/dbraw/zinc/37/13/82/402371382.db2.gz PFSQAJLLGNTHEY-UHFFFAOYSA-N 1 0 311.407 2.141 20 70 DEIDRO COCC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161229260 402378111 /nfs/dbraw/zinc/37/81/11/402378111.db2.gz QPGMIHHTHSFFHW-AWEZNQCLSA-N 1 0 319.449 2.396 20 70 DEIDRO CC(C)[N@H+](C)CC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000161322787 402382814 /nfs/dbraw/zinc/38/28/14/402382814.db2.gz YEJKRRMANHIYGH-UHFFFAOYSA-N 1 0 323.868 2.324 20 70 DEIDRO C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)N1CCc2ccccc2C1 ZINC000161348628 402383975 /nfs/dbraw/zinc/38/39/75/402383975.db2.gz WEQITICULFDZIA-KSSFIOAISA-N 1 0 314.429 2.071 20 70 DEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000159616184 402326960 /nfs/dbraw/zinc/32/69/60/402326960.db2.gz NHHSRQJQYFYFCZ-CQSZACIVSA-N 1 0 300.406 2.120 20 70 DEIDRO COCc1cc([C@H](C)[NH2+]CCc2cnn(C)c2)ccc1OC ZINC000159748116 402329808 /nfs/dbraw/zinc/32/98/08/402329808.db2.gz LVMVWSVGLRAYNS-ZDUSSCGKSA-N 1 0 303.406 2.468 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160239224 402338953 /nfs/dbraw/zinc/33/89/53/402338953.db2.gz RXYDUACLIJLSBJ-RDJZCZTQSA-N 1 0 323.481 2.460 20 70 DEIDRO CN(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000161497037 402389466 /nfs/dbraw/zinc/38/94/66/402389466.db2.gz MXUYRRGNXNNAQW-CHWSQXEVSA-N 1 0 307.413 2.494 20 70 DEIDRO O=C([C@H]1CCCC[NH2+]1)N1CCc2ccc(Br)cc21 ZINC000159991066 275007752 /nfs/dbraw/zinc/00/77/52/275007752.db2.gz DTDPBKMAZZIHDJ-GFCCVEGCSA-N 1 0 309.207 2.480 20 70 DEIDRO COCCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159985826 277204452 /nfs/dbraw/zinc/20/44/52/277204452.db2.gz UIWUWCBNOKXPCP-DOTOQJQBSA-N 1 0 319.449 2.327 20 70 DEIDRO COC(=O)[C@@H]1Cc2ccccc2CN1CCC[NH+]1CCCCC1 ZINC000160472812 277372442 /nfs/dbraw/zinc/37/24/42/277372442.db2.gz CWDNHYDRDMPJQC-SFHVURJKSA-N 1 0 316.445 2.462 20 70 DEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)nc1 ZINC000159669966 519645731 /nfs/dbraw/zinc/64/57/31/519645731.db2.gz UOGUASZNFSJJES-UHFFFAOYSA-N 1 0 312.845 2.259 20 70 DEIDRO CCNC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161038142 521743185 /nfs/dbraw/zinc/74/31/85/521743185.db2.gz GAYRLTHGYFERSG-HNNXBMFYSA-N 1 0 313.405 2.472 20 70 DEIDRO COC(=O)C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC000160371075 523157008 /nfs/dbraw/zinc/15/70/08/523157008.db2.gz CIWVUBRXJAHAQI-UHFFFAOYSA-N 1 0 312.454 2.155 20 70 DEIDRO Cc1ccccc1[C@H]1CN(C(=O)C[NH2+]CC2CC2)[C@@H](C)CO1 ZINC000160411216 525440123 /nfs/dbraw/zinc/44/01/23/525440123.db2.gz RNVHMGOWSRKENT-WMLDXEAASA-N 1 0 302.418 2.283 20 70 DEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160146949 282177001 /nfs/dbraw/zinc/17/70/01/282177001.db2.gz MTYGCJDLGULPBA-KBPBESRZSA-N 1 0 312.479 2.471 20 70 DEIDRO CC(C)OC1CCC(NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000159573467 539583016 /nfs/dbraw/zinc/58/30/16/539583016.db2.gz LTIYBVBJZMHKKV-HLIUYOAVSA-N 1 0 305.422 2.298 20 70 DEIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160569812 539587143 /nfs/dbraw/zinc/58/71/43/539587143.db2.gz AXJZLWDWGCNQKI-CQSZACIVSA-N 1 0 300.406 2.438 20 70 DEIDRO [NH3+][C@H](CCC(=O)NCCCOC[C@H]1CCOC1)c1ccccc1 ZINC000160583943 539587253 /nfs/dbraw/zinc/58/72/53/539587253.db2.gz VBAWVUDLAFKASG-NVXWUHKLSA-N 1 0 320.433 2.026 20 70 DEIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159629085 186131760 /nfs/dbraw/zinc/13/17/60/186131760.db2.gz ZZESLCMUDXQZMJ-RISCZKNCSA-N 1 0 320.437 2.178 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746746 186139413 /nfs/dbraw/zinc/13/94/13/186139413.db2.gz GGOJZYNJVUGMCF-TZMCWYRMSA-N 1 0 323.824 2.031 20 70 DEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2CC1 ZINC000160624046 355964888 /nfs/dbraw/zinc/96/48/88/355964888.db2.gz ZDBIEWLPQDRMOH-GOSISDBHSA-N 1 0 313.445 2.281 20 70 DEIDRO COC(=O)c1csc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160654712 355965386 /nfs/dbraw/zinc/96/53/86/355965386.db2.gz PBXDYEWMOXBZBZ-LBPRGKRZSA-N 1 0 323.418 2.141 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1sc(-c2ncccn2)nc1C ZINC000160553277 197422117 /nfs/dbraw/zinc/42/21/17/197422117.db2.gz OQXVUOYMEUGYTD-UHFFFAOYSA-N 1 0 319.434 2.156 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)CCC(=O)c1ccc(OC)cc1 ZINC000160473264 197414427 /nfs/dbraw/zinc/41/44/27/197414427.db2.gz PQJSSLGDLQPOFK-UHFFFAOYSA-N 1 0 306.406 2.292 20 70 DEIDRO CCOCCC1(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000160030038 197381184 /nfs/dbraw/zinc/38/11/84/197381184.db2.gz ZIZNHGXTBZZJFB-CQSZACIVSA-N 1 0 313.486 2.469 20 70 DEIDRO Cc1nnc(-c2ccccc2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)o1 ZINC000159916581 197373835 /nfs/dbraw/zinc/37/38/35/197373835.db2.gz TVANDJCAMUZTEY-CYBMUJFWSA-N 1 0 314.389 2.211 20 70 DEIDRO COc1cc(C2(C(=O)NC[C@H](C3CC3)[NH+](C)C)CC2)ccc1C ZINC000160108307 291662274 /nfs/dbraw/zinc/66/22/74/291662274.db2.gz HUKYZCUHIOLFNU-MRXNPFEDSA-N 1 0 316.445 2.492 20 70 DEIDRO COc1ccc(OC)c(C[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000218084455 402294196 /nfs/dbraw/zinc/29/41/96/402294196.db2.gz MQSCTKICSSXSNI-UHFFFAOYSA-N 1 0 310.394 2.318 20 70 DEIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ccccc1Br ZINC000160338155 402341709 /nfs/dbraw/zinc/34/17/09/402341709.db2.gz ZQELRLRCZPPCFZ-GFCCVEGCSA-N 1 0 311.223 2.331 20 70 DEIDRO Cc1cc(NCCCNC(=O)C(C)C)nc(-c2cccnc2)n1 ZINC000161431284 402386901 /nfs/dbraw/zinc/38/69/01/402386901.db2.gz KIVUUAJWQVRJRK-UHFFFAOYSA-N 1 0 313.405 2.421 20 70 DEIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1F ZINC000160384315 402343366 /nfs/dbraw/zinc/34/33/66/402343366.db2.gz QTUZZEAFHMKURY-ZWNOBZJWSA-N 1 0 304.369 2.400 20 70 DEIDRO Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C)CO1 ZINC000160411867 402344744 /nfs/dbraw/zinc/34/47/44/402344744.db2.gz BHFVUOIMSVIVEY-VYDXJSESSA-N 1 0 302.418 2.426 20 70 DEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000160448117 402345982 /nfs/dbraw/zinc/34/59/82/402345982.db2.gz KYXMDPHSTAHKNF-UHFFFAOYSA-N 1 0 303.406 2.061 20 70 DEIDRO O=C(c1cc(Br)cs1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160485889 402347433 /nfs/dbraw/zinc/34/74/33/402347433.db2.gz OUVCLARVDSJNGL-AOOOYVTPSA-N 1 0 315.236 2.477 20 70 DEIDRO CCOC(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000160492554 402348270 /nfs/dbraw/zinc/34/82/70/402348270.db2.gz ZIRJJRNASGMMMR-OAHLLOKOSA-N 1 0 306.406 2.494 20 70 DEIDRO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1C ZINC000160515655 402349018 /nfs/dbraw/zinc/34/90/18/402349018.db2.gz NQMNYGRJPWSYCX-IINYFYTJSA-N 1 0 302.426 2.085 20 70 DEIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCCCC1 ZINC000160569531 402352031 /nfs/dbraw/zinc/35/20/31/402352031.db2.gz XOMYXXOVGOTYPK-UHFFFAOYSA-N 1 0 312.845 2.413 20 70 DEIDRO Cc1cc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)ccc1O ZINC000160670709 402355968 /nfs/dbraw/zinc/35/59/68/402355968.db2.gz FGPMJTWIVYEZDS-MRXNPFEDSA-N 1 0 306.406 2.432 20 70 DEIDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCOC1 ZINC000160676952 402356832 /nfs/dbraw/zinc/35/68/32/402356832.db2.gz KKILRAPHCLLTBR-PVAVHDDUSA-N 1 0 302.418 2.365 20 70 DEIDRO C[C@@H]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000160735658 402358969 /nfs/dbraw/zinc/35/89/69/402358969.db2.gz RPNFVJLDNJPEGA-WBVHZDCISA-N 1 0 308.466 2.384 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)C1 ZINC000160785754 402360856 /nfs/dbraw/zinc/36/08/56/402360856.db2.gz ICIWSXOVGQNAMD-AWEZNQCLSA-N 1 0 315.442 2.481 20 70 DEIDRO COc1cc(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000160854520 402363063 /nfs/dbraw/zinc/36/30/63/402363063.db2.gz FURXQVYXBSRUIG-RYUDHWBXSA-N 1 0 322.405 2.193 20 70 DEIDRO CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000160955847 402367294 /nfs/dbraw/zinc/36/72/94/402367294.db2.gz CTTWXDBSMKCXGH-INIZCTEOSA-N 1 0 317.433 2.382 20 70 DEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000161012332 402369510 /nfs/dbraw/zinc/36/95/10/402369510.db2.gz FIALZRRSLBXIIL-OAGGEKHMSA-N 1 0 311.470 2.100 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000161078903 402372279 /nfs/dbraw/zinc/37/22/79/402372279.db2.gz WZKAMSYOAMTFJK-HZPDHXFCSA-N 1 0 318.465 2.216 20 70 DEIDRO COCCC1(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000161089796 402372599 /nfs/dbraw/zinc/37/25/99/402372599.db2.gz UYTKHFPQYFNZEL-HNNXBMFYSA-N 1 0 311.470 2.319 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000161218351 402378537 /nfs/dbraw/zinc/37/85/37/402378537.db2.gz ADIKFFMXBSGHJD-OAHLLOKOSA-N 1 0 316.380 2.144 20 70 DEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000161259987 402379463 /nfs/dbraw/zinc/37/94/63/402379463.db2.gz QRYJXPNEIIMONM-GOEBONIOSA-N 1 0 306.450 2.422 20 70 DEIDRO CCC[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(C)=O)[NH+](C)C ZINC000161269764 402380420 /nfs/dbraw/zinc/38/04/20/402380420.db2.gz WNBWJWIOZQKZGT-INIZCTEOSA-N 1 0 303.406 2.264 20 70 DEIDRO C[N@@H+]1CCC[C@H]1CCN1CCN(CCOc2ccccc2)CC1 ZINC000161295487 402381546 /nfs/dbraw/zinc/38/15/46/402381546.db2.gz IKISYCQCIMXILT-SFHVURJKSA-N 1 0 317.477 2.167 20 70 DEIDRO O=C(C[NH2+]CC1CC1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161326442 402382563 /nfs/dbraw/zinc/38/25/63/402382563.db2.gz YMICCDOHWORYJW-QGZVFWFLSA-N 1 0 302.418 2.051 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000161388978 402385596 /nfs/dbraw/zinc/38/55/96/402385596.db2.gz UAYGCQYJEIJRIE-INIZCTEOSA-N 1 0 311.385 2.070 20 70 DEIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000159634856 402327083 /nfs/dbraw/zinc/32/70/83/402327083.db2.gz MSUZGCBHLFYMRL-GOSISDBHSA-N 1 0 319.493 2.036 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000159921195 402333616 /nfs/dbraw/zinc/33/36/16/402333616.db2.gz PEKJBHHMERQJQP-CQSZACIVSA-N 1 0 323.412 2.330 20 70 DEIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(=O)c1cccc(F)c1 ZINC000160186195 402337456 /nfs/dbraw/zinc/33/74/56/402337456.db2.gz OUQWKFQIOIGHIB-VBNZEHGJSA-N 1 0 318.392 2.388 20 70 DEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnc2c(c1)ncn2C ZINC000160189499 402337603 /nfs/dbraw/zinc/33/76/03/402337603.db2.gz NMWQKFATDRNEDM-CYBMUJFWSA-N 1 0 317.437 2.209 20 70 DEIDRO CCN(C)C(=O)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000217357013 268574394 /nfs/dbraw/zinc/57/43/94/268574394.db2.gz BGOGNRDTIJTYEL-UHFFFAOYSA-N 1 0 315.458 2.090 20 70 DEIDRO CC(=O)NC1CCC([NH2+]CCN2CCc3sccc3C2)CC1 ZINC000161346179 277024447 /nfs/dbraw/zinc/02/44/47/277024447.db2.gz DXZDMNQKNLLPTA-UHFFFAOYSA-N 1 0 321.490 2.143 20 70 DEIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161205812 522366904 /nfs/dbraw/zinc/36/69/04/522366904.db2.gz DYHJCVCXLDWQRN-XCBNKYQSSA-N 1 0 309.357 2.194 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccccc2OC)CC1 ZINC000161013580 519914441 /nfs/dbraw/zinc/91/44/41/519914441.db2.gz ZAFCFAWBUDDQGN-UHFFFAOYSA-N 1 0 304.434 2.476 20 70 DEIDRO CCC[C@@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159651545 520720925 /nfs/dbraw/zinc/72/09/25/520720925.db2.gz ARADMJGJGFLTNQ-GFCCVEGCSA-N 1 0 322.796 2.176 20 70 DEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(O)c(F)c1 ZINC000159624490 521593444 /nfs/dbraw/zinc/59/34/44/521593444.db2.gz OBUNSZPJRURRMP-CYBMUJFWSA-N 1 0 309.385 2.205 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000159642518 521608323 /nfs/dbraw/zinc/60/83/23/521608323.db2.gz AMNTYUVLSNBZDE-JKSUJKDBSA-N 1 0 311.470 2.319 20 70 DEIDRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160354685 522101816 /nfs/dbraw/zinc/10/18/16/522101816.db2.gz PKJRSORSLDBBBZ-GOEBONIOSA-N 1 0 319.405 2.022 20 70 DEIDRO CC[C@@H](C)[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160352357 522228735 /nfs/dbraw/zinc/22/87/35/522228735.db2.gz NCAACFOCJIXKLD-ZBFHGGJFSA-N 1 0 322.449 2.465 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160575848 525584953 /nfs/dbraw/zinc/58/49/53/525584953.db2.gz IEPWNAHLRQHTNQ-WFASDCNBSA-N 1 0 318.446 2.130 20 70 DEIDRO COc1cccc(OCCCNC(=O)C2([NH3+])CCCCC2)c1 ZINC000161362192 526229752 /nfs/dbraw/zinc/22/97/52/526229752.db2.gz ZUSFLQMZOSZXGC-UHFFFAOYSA-N 1 0 306.406 2.242 20 70 DEIDRO COc1cccc(OCCCNC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000161359920 526231550 /nfs/dbraw/zinc/23/15/50/526231550.db2.gz PQBNDRZWKIIENY-UHFFFAOYSA-N 1 0 314.385 2.353 20 70 DEIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161128641 526237708 /nfs/dbraw/zinc/23/77/08/526237708.db2.gz FNHIKNSWEMWILR-MJBXVCDLSA-N 1 0 306.406 2.096 20 70 DEIDRO CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161172701 539588940 /nfs/dbraw/zinc/58/89/40/539588940.db2.gz MFCKIPSQAYTQSA-HZPDHXFCSA-N 1 0 318.417 2.434 20 70 DEIDRO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161114694 539588970 /nfs/dbraw/zinc/58/89/70/539588970.db2.gz QYYZYUVKEOKCMV-UKRRQHHQSA-N 1 0 303.406 2.281 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](OC)c2ccccc2)CC1 ZINC000159588551 186129155 /nfs/dbraw/zinc/12/91/55/186129155.db2.gz JWDGRLXHUTVVAZ-MRXNPFEDSA-N 1 0 305.422 2.111 20 70 DEIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000159588498 186129203 /nfs/dbraw/zinc/12/92/03/186129203.db2.gz MSJYRLMAHJCWIE-XKQJLSEDSA-N 1 0 320.408 2.414 20 70 DEIDRO CC[C@@H](C(=O)NCCCc1nc2c(s1)CCCC2)[NH+](C)C ZINC000161359236 291674536 /nfs/dbraw/zinc/67/45/36/291674536.db2.gz UGZHKDIATULDNM-ZDUSSCGKSA-N 1 0 309.479 2.411 20 70 DEIDRO CCCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160731223 355966015 /nfs/dbraw/zinc/96/60/15/355966015.db2.gz IXRWHUNSYWORGQ-IRXDYDNUSA-N 1 0 323.481 2.461 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000161308465 197483555 /nfs/dbraw/zinc/48/35/55/197483555.db2.gz LQZBCXCEQHXQPE-DAXOMENPSA-N 1 0 315.417 2.105 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(NC(=O)OC)cc2)CC1 ZINC000161133652 197468936 /nfs/dbraw/zinc/46/89/36/197468936.db2.gz OFKFISXSKZEDEV-UHFFFAOYSA-N 1 0 319.405 2.327 20 70 DEIDRO CCOc1c(Cl)cc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1OC ZINC000160521040 197419469 /nfs/dbraw/zinc/41/94/69/197419469.db2.gz DRLDJWJKUIZYKS-LLVKDONJSA-N 1 0 312.797 2.181 20 70 DEIDRO CC(C)(CO)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160159028 197389806 /nfs/dbraw/zinc/38/98/06/197389806.db2.gz XIYKULSUEGUKHL-JTQLQIEISA-N 1 0 322.232 2.341 20 70 DEIDRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)n1 ZINC000160084118 197384597 /nfs/dbraw/zinc/38/45/97/197384597.db2.gz YTAMOIRMEMKEEO-MRXNPFEDSA-N 1 0 324.432 2.455 20 70 DEIDRO CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159959697 197377107 /nfs/dbraw/zinc/37/71/07/197377107.db2.gz AKDLMHNIUFLTCY-GFCCVEGCSA-N 1 0 310.442 2.426 20 70 DEIDRO COc1cc(C[NH2+]C2(C)CCC2)cc(Cl)c1OCC(N)=O ZINC000159923601 197373218 /nfs/dbraw/zinc/37/32/18/197373218.db2.gz XXHDGZDMMOKADZ-UHFFFAOYSA-N 1 0 312.797 2.245 20 70 DEIDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000159839037 197367970 /nfs/dbraw/zinc/36/79/70/197367970.db2.gz DKHJWCOFCNNDRR-ZJUUUORDSA-N 1 0 304.312 2.413 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(OCCCC(=O)OC)cc1 ZINC000159830320 197367376 /nfs/dbraw/zinc/36/73/76/197367376.db2.gz ZKASNBVQFLFBFO-AWEZNQCLSA-N 1 0 308.378 2.085 20 70 DEIDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000159793822 197364069 /nfs/dbraw/zinc/36/40/69/197364069.db2.gz WTORTJBYAQAYKS-KGLIPLIRSA-N 1 0 300.406 2.399 20 70 DEIDRO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1C(=O)NC(C)C ZINC000159497345 197357848 /nfs/dbraw/zinc/35/78/48/197357848.db2.gz HYYYURUTRJRKBY-CYBMUJFWSA-N 1 0 303.406 2.071 20 70 DEIDRO Cc1cnccc1CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159759293 197361257 /nfs/dbraw/zinc/36/12/57/197361257.db2.gz ZKAMNOZLAYDUOD-HNNXBMFYSA-N 1 0 318.465 2.354 20 70 DEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000159503747 197358722 /nfs/dbraw/zinc/35/87/22/197358722.db2.gz SOCPQFFLTBOFMD-UWVGGRQHSA-N 1 0 315.211 2.089 20 70 DEIDRO O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CC[NH2+]CC1 ZINC000159437390 197353008 /nfs/dbraw/zinc/35/30/08/197353008.db2.gz KRJUYBDJIOTJKP-CMDGGOBGSA-N 1 0 300.402 2.453 20 70 DEIDRO O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000159420853 197352148 /nfs/dbraw/zinc/35/21/48/197352148.db2.gz XGDNSKQKDFBURG-GVDBMIGSSA-N 1 0 318.417 2.450 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC(O)(CC)CC ZINC000217037520 402290896 /nfs/dbraw/zinc/29/08/96/402290896.db2.gz TYLJVXMEEJMDQQ-HNNXBMFYSA-N 1 0 313.486 2.491 20 70 DEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000160348573 402342307 /nfs/dbraw/zinc/34/23/07/402342307.db2.gz XDSAZBDYTKPXSI-OAHLLOKOSA-N 1 0 312.417 2.230 20 70 DEIDRO Cc1cc(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)no1 ZINC000160445544 402346125 /nfs/dbraw/zinc/34/61/25/402346125.db2.gz GSWNXFBIPQUSDS-CQSZACIVSA-N 1 0 300.362 2.462 20 70 DEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1 ZINC000160616538 402353796 /nfs/dbraw/zinc/35/37/96/402353796.db2.gz SADIDGOIWPWPHF-CQSZACIVSA-N 1 0 318.417 2.451 20 70 DEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1F ZINC000160620334 402354316 /nfs/dbraw/zinc/35/43/16/402354316.db2.gz CGWDLTFXOZGBPM-GFCCVEGCSA-N 1 0 314.788 2.056 20 70 DEIDRO COc1ccc(N(C)C(=O)C2(OC)CC[NH2+]CC2)cc1Cl ZINC000161442485 402387551 /nfs/dbraw/zinc/38/75/51/402387551.db2.gz FIRFXRLNJSPGRD-UHFFFAOYSA-N 1 0 312.797 2.080 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000160704820 402357932 /nfs/dbraw/zinc/35/79/32/402357932.db2.gz QDGUZKRTPKSAQP-SYTKJHMZSA-N 1 0 314.307 2.419 20 70 DEIDRO CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]([NH3+])[C@@H](C)CC)cc21 ZINC000160774751 402360018 /nfs/dbraw/zinc/36/00/18/402360018.db2.gz CAFVNHAVMCJFNQ-NHYWBVRUSA-N 1 0 318.421 2.091 20 70 DEIDRO C[NH+](C)Cc1ccnc(NC(=O)C[C@H]2CSCCS2)c1 ZINC000160875230 402363649 /nfs/dbraw/zinc/36/36/49/402363649.db2.gz MQENFHXUCMOCTQ-LBPRGKRZSA-N 1 0 311.476 2.320 20 70 DEIDRO c1cc(CN2CCN(CCC[NH+]3CCCCC3)CC2)ccn1 ZINC000161459401 402388147 /nfs/dbraw/zinc/38/81/47/402388147.db2.gz VVFDSCBDPWOBGL-UHFFFAOYSA-N 1 0 302.466 2.075 20 70 DEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC000161182615 402376689 /nfs/dbraw/zinc/37/66/89/402376689.db2.gz BGCDEXVIQUEIAV-CVEARBPZSA-N 1 0 323.481 2.016 20 70 DEIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(F)cc3[nH]cnc32)[C@@H](C)C1 ZINC000161313354 402382170 /nfs/dbraw/zinc/38/21/70/402382170.db2.gz BLKDINOYJZIKJN-HZMBPMFUSA-N 1 0 304.369 2.161 20 70 DEIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cnn(C)c(=O)c2Cl)C1 ZINC000161316455 402382191 /nfs/dbraw/zinc/38/21/91/402382191.db2.gz WHFIMWQIEGUZEV-LBPRGKRZSA-N 1 0 312.845 2.214 20 70 DEIDRO C[C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)[NH+]1CCCCCC1 ZINC000161358323 402384406 /nfs/dbraw/zinc/38/44/06/402384406.db2.gz HLLNKROKOCFZDD-CVEARBPZSA-N 1 0 316.449 2.041 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)CC1 ZINC000161495705 402389125 /nfs/dbraw/zinc/38/91/25/402389125.db2.gz MYLNSHLOQIDWFU-QANALZHHSA-N 1 0 308.397 2.285 20 70 DEIDRO FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159626954 402327118 /nfs/dbraw/zinc/32/71/18/402327118.db2.gz DZVMXEBPIHYXNR-UHTWSYAYSA-N 1 0 315.339 2.493 20 70 DEIDRO CC(C)CNC(=O)[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000159663748 402327606 /nfs/dbraw/zinc/32/76/06/402327606.db2.gz GPALLVHADADFGO-DNVCBOLYSA-N 1 0 316.445 2.321 20 70 DEIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000159753805 402329452 /nfs/dbraw/zinc/32/94/52/402329452.db2.gz ABEKUZOHMULGDX-UHFFFAOYSA-N 1 0 304.419 2.226 20 70 DEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CC2CCOCC2)C1 ZINC000159931943 402333539 /nfs/dbraw/zinc/33/35/39/402333539.db2.gz FTXFVUUVQWYUIT-MRXNPFEDSA-N 1 0 311.470 2.032 20 70 DEIDRO CCO[C@H]1C[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C12CCCC2 ZINC000159928425 402333607 /nfs/dbraw/zinc/33/36/07/402333607.db2.gz VVNPNKLEPABSSN-HOTGVXAUSA-N 1 0 323.481 2.461 20 70 DEIDRO CN(CC[N@H+](C)Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F ZINC000161403094 402386566 /nfs/dbraw/zinc/38/65/66/402386566.db2.gz QVBXAEFLRYOWNQ-ZDUSSCGKSA-N 1 0 308.319 2.113 20 70 DEIDRO CCC[N@H+](CCCNC(C)=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159987101 402335052 /nfs/dbraw/zinc/33/50/52/402335052.db2.gz JLOSTDOBILTUSD-AWEZNQCLSA-N 1 0 305.422 2.252 20 70 DEIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160101538 402336371 /nfs/dbraw/zinc/33/63/71/402336371.db2.gz QDGXVLNOCSBKOB-ZBFHGGJFSA-N 1 0 318.417 2.109 20 70 DEIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160239363 402338674 /nfs/dbraw/zinc/33/86/74/402338674.db2.gz RXYDUACLIJLSBJ-NVXWUHKLSA-N 1 0 323.481 2.460 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000161160928 277277688 /nfs/dbraw/zinc/27/76/88/277277688.db2.gz LZVRTJJMBNNUBG-OCCSQVGLSA-N 1 0 308.809 2.102 20 70 DEIDRO CC[N@H+](C)CCNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160147586 520224958 /nfs/dbraw/zinc/22/49/58/520224958.db2.gz ORHZYYQCPXIMQG-UHFFFAOYSA-N 1 0 324.446 2.008 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(COC)c2)CC1 ZINC000159617456 521607801 /nfs/dbraw/zinc/60/78/01/521607801.db2.gz NCHBRVIZUWCDCI-UHFFFAOYSA-N 1 0 305.422 2.070 20 70 DEIDRO CC[C@H](CNC(=O)[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000161223516 522185907 /nfs/dbraw/zinc/18/59/07/522185907.db2.gz WNJXOOUEAIIRRS-QWRGUYRKSA-N 1 0 313.239 2.481 20 70 DEIDRO COc1cc(C)cc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000159627159 522239142 /nfs/dbraw/zinc/23/91/42/522239142.db2.gz HOFAWKASQFINEB-AWEZNQCLSA-N 1 0 317.433 2.287 20 70 DEIDRO COc1cc(C)cc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000159861499 522239213 /nfs/dbraw/zinc/23/92/13/522239213.db2.gz ULLJNYICZCBUFO-CYBMUJFWSA-N 1 0 305.422 2.286 20 70 DEIDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000161486118 523584331 /nfs/dbraw/zinc/58/43/31/523584331.db2.gz HIHVCLOWWLQVBV-ZIAGYGMSSA-N 1 0 310.463 2.245 20 70 DEIDRO CCc1ccc(C(C)(C)CNC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000160869509 523900423 /nfs/dbraw/zinc/90/04/23/523900423.db2.gz VDKDAQMFEQIGNH-UHFFFAOYSA-N 1 0 318.461 2.411 20 70 DEIDRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)ccc1OC(C)C ZINC000160903638 525146580 /nfs/dbraw/zinc/14/65/80/525146580.db2.gz ZGVPGCQRCUWHOH-HNNXBMFYSA-N 1 0 306.406 2.489 20 70 DEIDRO [NH3+]CCCNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000160177808 282177505 /nfs/dbraw/zinc/17/75/05/282177505.db2.gz PFOYXMZUCIAAPS-UHFFFAOYSA-N 1 0 309.218 2.483 20 70 DEIDRO C[C@]1(c2ccccc2)CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000159646281 539583754 /nfs/dbraw/zinc/58/37/54/539583754.db2.gz OAYWAIQPXGCHLL-UYAOXDASSA-N 1 0 324.424 2.331 20 70 DEIDRO COCCC1(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000161108005 539589400 /nfs/dbraw/zinc/58/94/00/539589400.db2.gz CJRIFMGPTMPJCL-MRXNPFEDSA-N 1 0 323.481 2.367 20 70 DEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000161197059 539590263 /nfs/dbraw/zinc/59/02/63/539590263.db2.gz IRTXDGWDRVIVPY-VHSXEESVSA-N 1 0 313.195 2.154 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000161505294 539591879 /nfs/dbraw/zinc/59/18/79/539591879.db2.gz ODIGQQVCECGFLV-VXGBXAGGSA-N 1 0 302.353 2.011 20 70 DEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000161482993 539591909 /nfs/dbraw/zinc/59/19/09/539591909.db2.gz GYPCGEXUBBHPGK-CHWSQXEVSA-N 1 0 302.353 2.011 20 70 DEIDRO Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000217894739 539726866 /nfs/dbraw/zinc/72/68/66/539726866.db2.gz NWMWREOSIYVXES-LBPRGKRZSA-N 1 0 314.426 2.204 20 70 DEIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000159547942 186126187 /nfs/dbraw/zinc/12/61/87/186126187.db2.gz AATJQYKTYIYUBX-HNNXBMFYSA-N 1 0 317.437 2.407 20 70 DEIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159660594 186133688 /nfs/dbraw/zinc/13/36/88/186133688.db2.gz CGCUBZOAEWZSCG-OLZOCXBDSA-N 1 0 322.453 2.426 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccccc2F)CC1 ZINC000159732964 186137975 /nfs/dbraw/zinc/13/79/75/186137975.db2.gz XGWPGFKHDVBNTF-AWEZNQCLSA-N 1 0 307.413 2.494 20 70 DEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000159649178 355961944 /nfs/dbraw/zinc/96/19/44/355961944.db2.gz PHFCDBSIDQPDTQ-HOTGVXAUSA-N 1 0 315.417 2.277 20 70 DEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000160080218 355964066 /nfs/dbraw/zinc/96/40/66/355964066.db2.gz SZAHOHXPLIVMBB-GFCCVEGCSA-N 1 0 319.405 2.361 20 70 DEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161074934 197463241 /nfs/dbraw/zinc/46/32/41/197463241.db2.gz OZGMRJWPHPLSEY-GFCCVEGCSA-N 1 0 308.382 2.030 20 70 DEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000160242606 197395020 /nfs/dbraw/zinc/39/50/20/197395020.db2.gz ZJLGIKFAUYYRLE-OCCSQVGLSA-N 1 0 308.389 2.285 20 70 DEIDRO COCC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160199635 197392807 /nfs/dbraw/zinc/39/28/07/197392807.db2.gz ZNGFEQAAIKDJJQ-GDBMZVCRSA-N 1 0 319.449 2.374 20 70 DEIDRO CC(C)[N@H+](C)CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160181781 197391453 /nfs/dbraw/zinc/39/14/53/197391453.db2.gz NYCIIHIBJOPNLG-UHFFFAOYSA-N 1 0 307.419 2.402 20 70 DEIDRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC(C)(C)[NH3+] ZINC000160027966 197381377 /nfs/dbraw/zinc/38/13/77/197381377.db2.gz ZWBGXCMSUPJITQ-UHFFFAOYSA-N 1 0 306.797 2.301 20 70 DEIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)CC(C)C ZINC000160138480 197388591 /nfs/dbraw/zinc/38/85/91/197388591.db2.gz RWFDCYYACQLBOE-RDJZCZTQSA-N 1 0 313.486 2.299 20 70 DEIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160117540 197386849 /nfs/dbraw/zinc/38/68/49/197386849.db2.gz VNQJZFVLSCGQNX-ZDUSSCGKSA-N 1 0 311.447 2.293 20 70 DEIDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000159974348 197377659 /nfs/dbraw/zinc/37/76/59/197377659.db2.gz BRNCQQVTZTYEMD-GFCCVEGCSA-N 1 0 302.827 2.006 20 70 DEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(F)cc2C)CC1 ZINC000159963414 197376547 /nfs/dbraw/zinc/37/65/47/197376547.db2.gz PGWGHGPMDWHIPF-UHFFFAOYSA-N 1 0 307.413 2.414 20 70 DEIDRO Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159950086 197375981 /nfs/dbraw/zinc/37/59/81/197375981.db2.gz GOYAWUMGYSWZRI-LBPRGKRZSA-N 1 0 302.827 2.006 20 70 DEIDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159838420 197367788 /nfs/dbraw/zinc/36/77/88/197367788.db2.gz UKRWFHDKJBAFPM-UWVGGRQHSA-N 1 0 304.312 2.413 20 70 DEIDRO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159773422 197363398 /nfs/dbraw/zinc/36/33/98/197363398.db2.gz LDJGIVLNYFJOSU-JLSDUUJJSA-N 1 0 316.445 2.053 20 70 DEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)c2c(C)noc2C)C1 ZINC000159764874 197362861 /nfs/dbraw/zinc/36/28/61/197362861.db2.gz RWROUCODUSZAJA-DOMZBBRYSA-N 1 0 322.453 2.426 20 70 DEIDRO Cc1ccc(N2CC[C@@H](N3CC[NH+](CC4CC4)CC3)C2=O)cc1 ZINC000159406447 197351447 /nfs/dbraw/zinc/35/14/47/197351447.db2.gz RJJQMKSWYCADIY-GOSISDBHSA-N 1 0 313.445 2.128 20 70 DEIDRO FC(F)(F)COCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000159373824 402322210 /nfs/dbraw/zinc/32/22/10/402322210.db2.gz NUMYRKNAHPTOFJ-UHFFFAOYSA-N 1 0 317.355 2.215 20 70 DEIDRO CC[C@H](C)c1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)on1 ZINC000159426838 402323150 /nfs/dbraw/zinc/32/31/50/402323150.db2.gz UEDRGUWVYSVBPO-BFHYXJOUSA-N 1 0 323.437 2.417 20 70 DEIDRO CC[C@H](C)c1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000159426572 402323309 /nfs/dbraw/zinc/32/33/09/402323309.db2.gz UEDRGUWVYSVBPO-MELADBBJSA-N 1 0 323.437 2.417 20 70 DEIDRO Cc1cc(NC(=O)CC[NH+]2CCN(c3cccs3)CC2)no1 ZINC000160317954 402340635 /nfs/dbraw/zinc/34/06/35/402340635.db2.gz CNIPVUDGAAINTQ-UHFFFAOYSA-N 1 0 320.418 2.195 20 70 DEIDRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160354642 402342044 /nfs/dbraw/zinc/34/20/44/402342044.db2.gz DDOJBUATILXKAO-KRWDZBQOSA-N 1 0 311.470 2.055 20 70 DEIDRO Cc1ccsc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160391079 402343505 /nfs/dbraw/zinc/34/35/05/402343505.db2.gz LIJFBWOLYRFKKD-CYBMUJFWSA-N 1 0 309.479 2.260 20 70 DEIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCOC1 ZINC000160580680 402352362 /nfs/dbraw/zinc/35/23/62/402352362.db2.gz FAKYATNPNOMUJP-QAPCUYQASA-N 1 0 304.434 2.033 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3cccc(OC)c3)CCCC2)C1 ZINC000160583107 402352734 /nfs/dbraw/zinc/35/27/34/402352734.db2.gz WYSSJPWGJPVHJW-HNNXBMFYSA-N 1 0 302.418 2.327 20 70 DEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1 ZINC000160631728 402354457 /nfs/dbraw/zinc/35/44/57/402354457.db2.gz JPEKIZVICVKUTI-IAGOWNOFSA-N 1 0 320.408 2.323 20 70 DEIDRO CC(C)c1ccsc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160668340 402356018 /nfs/dbraw/zinc/35/60/18/402356018.db2.gz DTDNWYQIWNBRRG-UHFFFAOYSA-N 1 0 310.463 2.306 20 70 DEIDRO CCN(CCC[NH2+]Cc1ccc(Cl)cc1F)S(C)(=O)=O ZINC000160785513 402361067 /nfs/dbraw/zinc/36/10/67/402361067.db2.gz PTVCDVRDIAGSNH-UHFFFAOYSA-N 1 0 322.833 2.240 20 70 DEIDRO CN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160817214 402361221 /nfs/dbraw/zinc/36/12/21/402361221.db2.gz NXZLHEGQQYGQEU-HNNXBMFYSA-N 1 0 302.422 2.240 20 70 DEIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160968895 402367913 /nfs/dbraw/zinc/36/79/13/402367913.db2.gz SIKNUJNDUWTSQV-RYUDHWBXSA-N 1 0 305.205 2.126 20 70 DEIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161040114 402370395 /nfs/dbraw/zinc/37/03/95/402370395.db2.gz DJLJGTKIALVKSU-HRCADAONSA-N 1 0 306.406 2.435 20 70 DEIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)n1)c1cccc(F)c1 ZINC000161087137 402372151 /nfs/dbraw/zinc/37/21/51/402372151.db2.gz SEXYKEUHLANNSV-AWEZNQCLSA-N 1 0 305.328 2.393 20 70 DEIDRO CC[NH2+]CC1CCN(C(=O)CSC[C@@H]2CCCCO2)CC1 ZINC000161108989 402373283 /nfs/dbraw/zinc/37/32/83/402373283.db2.gz CJFGVIDUESZDHS-HNNXBMFYSA-N 1 0 314.495 2.137 20 70 DEIDRO C[C@H](CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])Oc1ccc(F)cc1 ZINC000161122330 402374069 /nfs/dbraw/zinc/37/40/69/402374069.db2.gz KJMHLKFKYQVTPN-POPZOMSYSA-N 1 0 306.381 2.083 20 70 DEIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CCOCC1 ZINC000161190431 402376337 /nfs/dbraw/zinc/37/63/37/402376337.db2.gz DTBFVFHDNLPZDE-CQSZACIVSA-N 1 0 306.454 2.342 20 70 DEIDRO COc1ccc(CC[NH2+]C2CCC(NC(C)=O)CC2)cc1OC ZINC000161226303 402378221 /nfs/dbraw/zinc/37/82/21/402378221.db2.gz OUALKCSHHNQRCC-UHFFFAOYSA-N 1 0 320.433 2.283 20 70 DEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000161308351 402382220 /nfs/dbraw/zinc/38/22/20/402382220.db2.gz LQZBCXCEQHXQPE-MAZHCROVSA-N 1 0 315.417 2.105 20 70 DEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)c2c(C)noc2C)C1 ZINC000159764733 402330269 /nfs/dbraw/zinc/33/02/69/402330269.db2.gz RWROUCODUSZAJA-IUODEOHRSA-N 1 0 322.453 2.426 20 70 DEIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000159786761 402330874 /nfs/dbraw/zinc/33/08/74/402330874.db2.gz BEXFAGFSYMOHLP-XJKSGUPXSA-N 1 0 305.422 2.435 20 70 DEIDRO CCCn1c(C)nnc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000161401572 402386531 /nfs/dbraw/zinc/38/65/31/402386531.db2.gz FYPRTCGVBUDRKN-UHFFFAOYSA-N 1 0 305.470 2.447 20 70 DEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COC2CCOCC2)n1 ZINC000160251081 402339498 /nfs/dbraw/zinc/33/94/98/402339498.db2.gz OOHZNHQATAORTL-YJBOKZPZSA-N 1 0 320.433 2.083 20 70 DEIDRO CC(=O)NC1CCC([NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000161357189 277025154 /nfs/dbraw/zinc/02/51/54/277025154.db2.gz QAJAUBVKNMDGJE-AQKMWONCSA-N 1 0 309.498 2.390 20 70 DEIDRO COc1ccccc1[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159669977 295385457 /nfs/dbraw/zinc/38/54/57/295385457.db2.gz DUIVWTTWIWMCMH-QGZVFWFLSA-N 1 0 319.449 2.124 20 70 DEIDRO CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccs1)[NH+]1CCN(C)CC1 ZINC000160054455 519794595 /nfs/dbraw/zinc/79/45/95/519794595.db2.gz POSXZRSBNUCNIR-LSDHHAIUSA-N 1 0 323.506 2.240 20 70 DEIDRO CC1CC[NH+](CCCCNC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000159605167 521003101 /nfs/dbraw/zinc/00/31/01/521003101.db2.gz LGXBCVADGQFNDZ-KRWDZBQOSA-N 1 0 304.434 2.348 20 70 DEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160330082 521657695 /nfs/dbraw/zinc/65/76/95/521657695.db2.gz HELAHSWYFNFKQZ-AAEUAGOBSA-N 1 0 309.435 2.209 20 70 DEIDRO C[NH+](C)CCOc1ccccc1CNC(=O)NC1(C)CCC1 ZINC000160300615 521806139 /nfs/dbraw/zinc/80/61/39/521806139.db2.gz OIMUXPSWBMWPQR-UHFFFAOYSA-N 1 0 305.422 2.369 20 70 DEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCOCCc1ccccc1 ZINC000161227673 522048014 /nfs/dbraw/zinc/04/80/14/522048014.db2.gz GOQPOYMFYXVMRW-KRWDZBQOSA-N 1 0 304.434 2.236 20 70 DEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2nc(C)c(-c3ccccc3)o2)C1 ZINC000160581496 522500388 /nfs/dbraw/zinc/50/03/88/522500388.db2.gz VOJFDOOENDVORD-HNNXBMFYSA-N 1 0 313.401 2.403 20 70 DEIDRO Cc1ccccc1[C@@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161103213 525352203 /nfs/dbraw/zinc/35/22/03/525352203.db2.gz HFWYEPSOEGRBPQ-OAHLLOKOSA-N 1 0 319.449 2.154 20 70 DEIDRO Cc1c(/C=C/C(=O)NCCCC[NH+]2CCC(C)CC2)cnn1C ZINC000159406974 525517000 /nfs/dbraw/zinc/51/70/00/525517000.db2.gz HVWQDZJNELOCEV-VOTSOKGWSA-N 1 0 318.465 2.370 20 70 DEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971010 525580762 /nfs/dbraw/zinc/58/07/62/525580762.db2.gz OGIIBEAWMQPSGI-LSDHHAIUSA-N 1 0 324.490 2.214 20 70 DEIDRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159720737 525790300 /nfs/dbraw/zinc/79/03/00/525790300.db2.gz ZBGRXXSDEZUFLQ-UHFFFAOYSA-N 1 0 312.417 2.473 20 70 DEIDRO