smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccccc3O)CC2)cc1 ZINC000181650893 234269018 /nfs/dbraw/zinc/26/90/18/234269018.db2.gz VYGWICAEGDKJPX-UHFFFAOYSA-N 2 2 335.451 3.061 10 30 EGEELP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909290 201049715 /nfs/dbraw/zinc/04/97/15/201049715.db2.gz YFHXDZWBCUMLPS-SJORKVTESA-N 2 2 338.455 3.112 10 30 EGEELP COC1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000344172082 164119501 /nfs/dbraw/zinc/11/95/01/164119501.db2.gz OCXCCPMSINYICR-UHFFFAOYSA-N 2 2 341.499 3.317 10 30 EGEELP Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301787173 267337595 /nfs/dbraw/zinc/33/75/95/267337595.db2.gz PKJMFWVLWNNTBN-RMKNXTFCSA-N 2 2 332.451 3.406 10 30 EGEELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000088735324 454117700 /nfs/dbraw/zinc/11/77/00/454117700.db2.gz LZDKTNRAAFXWDO-PXNSSMCTSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000088735324 454117703 /nfs/dbraw/zinc/11/77/03/454117703.db2.gz LZDKTNRAAFXWDO-PXNSSMCTSA-N 2 2 335.451 3.362 10 30 EGEELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644869 454727174 /nfs/dbraw/zinc/72/71/74/454727174.db2.gz MPGWTBNVPHOSAX-AEFFLSMTSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644869 454727177 /nfs/dbraw/zinc/72/71/77/454727177.db2.gz MPGWTBNVPHOSAX-AEFFLSMTSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644869 454727178 /nfs/dbraw/zinc/72/71/78/454727178.db2.gz MPGWTBNVPHOSAX-AEFFLSMTSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644869 454727180 /nfs/dbraw/zinc/72/71/80/454727180.db2.gz MPGWTBNVPHOSAX-AEFFLSMTSA-N 2 2 345.487 3.292 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000153020522 454753455 /nfs/dbraw/zinc/75/34/55/454753455.db2.gz UHNKEUXWDUUURN-HNNXBMFYSA-N 2 2 345.487 3.345 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000181712789 455375369 /nfs/dbraw/zinc/37/53/69/455375369.db2.gz DJEUBAKOMCGKJA-UHFFFAOYSA-N 2 2 348.425 3.323 10 30 EGEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCSCC3)CC2)c1 ZINC000595046995 459227928 /nfs/dbraw/zinc/22/79/28/459227928.db2.gz POOTYHJOKCXWDV-SFHVURJKSA-N 2 2 329.513 3.398 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000872109029 1296734893 /nfs/dbraw/zinc/73/48/93/1296734893.db2.gz GDXLKPGKMVTJPG-HLAWJBBLSA-N 2 2 339.483 3.070 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257481 1330086429 /nfs/dbraw/zinc/08/64/29/1330086429.db2.gz ILUIIDKBCSBHOJ-MJGOQNOKSA-N 2 2 349.478 3.479 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257481 1330086431 /nfs/dbraw/zinc/08/64/31/1330086431.db2.gz ILUIIDKBCSBHOJ-MJGOQNOKSA-N 2 2 349.478 3.479 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323228268 1387314104 /nfs/dbraw/zinc/31/41/04/1387314104.db2.gz WWASISWMBBUHTC-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323228268 1387314108 /nfs/dbraw/zinc/31/41/08/1387314108.db2.gz WWASISWMBBUHTC-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721038 1387430041 /nfs/dbraw/zinc/43/00/41/1387430041.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721038 1387430045 /nfs/dbraw/zinc/43/00/45/1387430045.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323721038 1387430049 /nfs/dbraw/zinc/43/00/49/1387430049.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323721038 1387430052 /nfs/dbraw/zinc/43/00/52/1387430052.db2.gz CMVUQGFKJLAPKH-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001202602643 1369819716 /nfs/dbraw/zinc/81/97/16/1369819716.db2.gz IWZXIWAERVVTBS-UHFFFAOYSA-N 2 2 327.403 3.058 10 30 EGEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001202602643 1369819722 /nfs/dbraw/zinc/81/97/22/1369819722.db2.gz IWZXIWAERVVTBS-UHFFFAOYSA-N 2 2 327.403 3.058 10 30 EGEELP C[NH+]1CCN(c2ccc(C=[NH+]OCc3ccc(F)cc3)cc2F)CC1 ZINC001116590350 1370941737 /nfs/dbraw/zinc/94/17/37/1370941737.db2.gz QNBSCPABOPPRBF-UHFFFAOYSA-N 2 2 345.393 3.267 10 30 EGEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731559 1392895502 /nfs/dbraw/zinc/89/55/02/1392895502.db2.gz PFQSGIYXAOJQPJ-RBUKOAKNSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731559 1392895508 /nfs/dbraw/zinc/89/55/08/1392895508.db2.gz PFQSGIYXAOJQPJ-RBUKOAKNSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001482429198 1394989713 /nfs/dbraw/zinc/98/97/13/1394989713.db2.gz YIJOVJBVYSXQAA-YJBOKZPZSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001732311330 1428524371 /nfs/dbraw/zinc/52/43/71/1428524371.db2.gz MBJRBLPLGRZFTQ-IYARVYRRSA-N 2 2 338.455 3.079 10 30 EGEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001699606360 1412970407 /nfs/dbraw/zinc/97/04/07/1412970407.db2.gz RAECYEPEAUHCFY-ZWKOTPCHSA-N 2 2 329.488 3.413 10 30 EGEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001700095240 1413510133 /nfs/dbraw/zinc/51/01/33/1413510133.db2.gz VIVVTPMRNPNCSS-HNNXBMFYSA-N 2 2 346.434 3.167 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001700260398 1413709102 /nfs/dbraw/zinc/70/91/02/1413709102.db2.gz AVOPZNXDKUMEAE-AEFFLSMTSA-N 2 2 348.535 3.334 10 30 EGEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713000276 1417553685 /nfs/dbraw/zinc/55/36/85/1417553685.db2.gz RRYXXHJZGVRHDG-RDTXWAMCSA-N 2 2 326.444 3.112 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713000275 1417553892 /nfs/dbraw/zinc/55/38/92/1417553892.db2.gz RRYXXHJZGVRHDG-KSSFIOAISA-N 2 2 326.444 3.112 10 30 EGEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001714167697 1418976560 /nfs/dbraw/zinc/97/65/60/1418976560.db2.gz XJMDKFMTYIJCNK-LJQANCHMSA-N 2 2 326.444 3.017 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714856435 1419573497 /nfs/dbraw/zinc/57/34/97/1419573497.db2.gz PBTFHBSXJRSMGS-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714856435 1419573501 /nfs/dbraw/zinc/57/35/01/1419573501.db2.gz PBTFHBSXJRSMGS-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716866593 1420995558 /nfs/dbraw/zinc/99/55/58/1420995558.db2.gz FVOKWLUSZDWELU-FOIQADDNSA-N 2 2 340.471 3.359 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034044 1421087311 /nfs/dbraw/zinc/08/73/11/1421087311.db2.gz YUBHSPKRILGPNN-OALUTQOASA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034044 1421087314 /nfs/dbraw/zinc/08/73/14/1421087314.db2.gz YUBHSPKRILGPNN-OALUTQOASA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034044 1421087317 /nfs/dbraw/zinc/08/73/17/1421087317.db2.gz YUBHSPKRILGPNN-OALUTQOASA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034044 1421087319 /nfs/dbraw/zinc/08/73/19/1421087319.db2.gz YUBHSPKRILGPNN-OALUTQOASA-N 2 2 346.519 3.378 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001733290113 1429468663 /nfs/dbraw/zinc/46/86/63/1429468663.db2.gz BNVZQFNEVLFTRL-QGZVFWFLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001733290113 1429468668 /nfs/dbraw/zinc/46/86/68/1429468668.db2.gz BNVZQFNEVLFTRL-QGZVFWFLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001717962160 1421733465 /nfs/dbraw/zinc/73/34/65/1421733465.db2.gz ZCFNOEHFCGATPT-DOTOQJQBSA-N 2 2 342.487 3.423 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001722944806 1424271637 /nfs/dbraw/zinc/27/16/37/1424271637.db2.gz WYTQGGLIZHDQLU-MSOLQXFVSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001724072115 1424646812 /nfs/dbraw/zinc/64/68/12/1424646812.db2.gz RDNRSPIVJMYJHU-HXUWFJFHSA-N 2 2 348.450 3.129 10 30 EGEELP N#Cc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)cc1 ZINC000527807038 268212106 /nfs/dbraw/zinc/21/21/06/268212106.db2.gz AJCCGUUYKAVCSU-UHFFFAOYSA-N 2 2 332.407 3.001 10 30 EGEELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccccc1 ZINC000290161817 456256636 /nfs/dbraw/zinc/25/66/36/456256636.db2.gz DGLQKOZEAIUDSM-VGOFRKELSA-N 2 2 349.478 3.234 10 30 EGEELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1F ZINC000358572513 458085335 /nfs/dbraw/zinc/08/53/35/458085335.db2.gz QCOPRHCTEQFNFG-OAHLLOKOSA-N 2 2 338.430 3.408 10 30 EGEELP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441163609 458895297 /nfs/dbraw/zinc/89/52/97/458895297.db2.gz FFADFUPNKCYDOR-SFHVURJKSA-N 2 2 334.891 3.124 10 30 EGEELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441163609 458895299 /nfs/dbraw/zinc/89/52/99/458895299.db2.gz FFADFUPNKCYDOR-SFHVURJKSA-N 2 2 334.891 3.124 10 30 EGEELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000594521877 459078261 /nfs/dbraw/zinc/07/82/61/459078261.db2.gz VEINNZZEHFMVOT-RTWAWAEBSA-N 2 2 341.499 3.460 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000591081799 459308318 /nfs/dbraw/zinc/30/83/18/459308318.db2.gz IBPKGOIWEJNTRW-KRWDZBQOSA-N 2 2 326.444 3.007 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000591081799 459308323 /nfs/dbraw/zinc/30/83/23/459308323.db2.gz IBPKGOIWEJNTRW-KRWDZBQOSA-N 2 2 326.444 3.007 10 30 EGEELP N#CCC[C@H](C#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596047759 459501600 /nfs/dbraw/zinc/50/16/00/459501600.db2.gz RJXWXIDIOHQIJM-UXHICEINSA-N 2 2 336.483 3.322 10 30 EGEELP N#CCC[C@H](C#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596047759 459501603 /nfs/dbraw/zinc/50/16/03/459501603.db2.gz RJXWXIDIOHQIJM-UXHICEINSA-N 2 2 336.483 3.322 10 30 EGEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059210 459596265 /nfs/dbraw/zinc/59/62/65/459596265.db2.gz RSZQMFVLJCGNOU-WOJBJXKFSA-N 2 2 347.547 3.164 10 30 EGEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059210 459596273 /nfs/dbraw/zinc/59/62/73/459596273.db2.gz RSZQMFVLJCGNOU-WOJBJXKFSA-N 2 2 347.547 3.164 10 30 EGEELP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4c3NCC4)CC2)c1 ZINC000593322614 459841609 /nfs/dbraw/zinc/84/16/09/459841609.db2.gz NQHVYWOVIRAOQY-UHFFFAOYSA-N 2 2 346.478 3.280 10 30 EGEELP COC1(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000593695355 459956263 /nfs/dbraw/zinc/95/62/63/459956263.db2.gz LUSWSWRTJGNYQP-QGZVFWFLSA-N 2 2 341.499 3.460 10 30 EGEELP Cn1c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2[nH+]c1C(C)(C)C ZINC000594444751 460222839 /nfs/dbraw/zinc/22/28/39/460222839.db2.gz CIVXKUHWTROMNA-AWEZNQCLSA-N 2 2 341.459 3.221 10 30 EGEELP C=CCOc1ccccc1C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000628476043 460431044 /nfs/dbraw/zinc/43/10/44/460431044.db2.gz YQAFXTAPVLVEDZ-UHFFFAOYSA-N 2 2 344.499 3.328 10 30 EGEELP CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC ZINC000925619770 1325233387 /nfs/dbraw/zinc/23/33/87/1325233387.db2.gz AUMNOCKMRJBUON-QFBILLFUSA-N 2 2 343.471 3.140 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCS3)CC2)cc1 ZINC000865726282 1329732950 /nfs/dbraw/zinc/73/29/50/1329732950.db2.gz VXQKLKWHBLRSQR-LJQANCHMSA-N 2 2 329.513 3.398 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001325395782 1387959871 /nfs/dbraw/zinc/95/98/71/1387959871.db2.gz FSCHRKZBKSWSKV-SJLPKXTDSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001326316196 1388151021 /nfs/dbraw/zinc/15/10/21/1388151021.db2.gz GOAXSZHFCGVSMA-SFHVURJKSA-N 2 2 329.488 3.415 10 30 EGEELP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283174181 1378753091 /nfs/dbraw/zinc/75/30/91/1378753091.db2.gz RAPBJLFUTRPCTO-OAHLLOKOSA-N 2 2 328.460 3.097 10 30 EGEELP C=CCCC[NH2+]C1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001327981290 1388638475 /nfs/dbraw/zinc/63/84/75/1388638475.db2.gz BCLIXZFFQZKXGG-UHFFFAOYSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480617893 1392823085 /nfs/dbraw/zinc/82/30/85/1392823085.db2.gz IDHNMXDGTUFOSP-WMZOPIPTSA-N 2 2 338.455 3.031 10 30 EGEELP C=C(C)CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001490376333 1394205689 /nfs/dbraw/zinc/20/56/89/1394205689.db2.gz BZBHTBKTMUPHBK-UHFFFAOYSA-N 2 2 326.444 3.113 10 30 EGEELP C=C(C)CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001490376333 1394205691 /nfs/dbraw/zinc/20/56/91/1394205691.db2.gz BZBHTBKTMUPHBK-UHFFFAOYSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001482429196 1394989637 /nfs/dbraw/zinc/98/96/37/1394989637.db2.gz YIJOVJBVYSXQAA-QAPCUYQASA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992875 1406785279 /nfs/dbraw/zinc/78/52/79/1406785279.db2.gz LQVURNFDPGCUIZ-KRWDZBQOSA-N 2 2 340.471 3.231 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992875 1406785282 /nfs/dbraw/zinc/78/52/82/1406785282.db2.gz LQVURNFDPGCUIZ-KRWDZBQOSA-N 2 2 340.471 3.231 10 30 EGEELP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001690727453 1404698920 /nfs/dbraw/zinc/69/89/20/1404698920.db2.gz WHPHFJFTKHOTHN-KRWDZBQOSA-N 2 2 342.487 3.356 10 30 EGEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001732310250 1428523795 /nfs/dbraw/zinc/52/37/95/1428523795.db2.gz LAGBKRPTBUVQSA-BZSNNMDCSA-N 2 2 332.492 3.063 10 30 EGEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001699606356 1412970445 /nfs/dbraw/zinc/97/04/45/1412970445.db2.gz RAECYEPEAUHCFY-QZTJIDSGSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713351144 1417969736 /nfs/dbraw/zinc/96/97/36/1417969736.db2.gz YODBQQRKEYNUDH-YJBOKZPZSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714615502 1419376843 /nfs/dbraw/zinc/37/68/43/1419376843.db2.gz WWRRMICWJVMJBY-LJQANCHMSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714615502 1419376848 /nfs/dbraw/zinc/37/68/48/1419376848.db2.gz WWRRMICWJVMJBY-LJQANCHMSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714810348 1419521391 /nfs/dbraw/zinc/52/13/91/1419521391.db2.gz JKYLWRRTMNKHSU-HNNXBMFYSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001714915739 1419666180 /nfs/dbraw/zinc/66/61/80/1419666180.db2.gz YOODRNSUTJCMMY-MSOLQXFVSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001714915739 1419666183 /nfs/dbraw/zinc/66/61/83/1419666183.db2.gz YOODRNSUTJCMMY-MSOLQXFVSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001714915741 1419666190 /nfs/dbraw/zinc/66/61/90/1419666190.db2.gz YOODRNSUTJCMMY-QZTJIDSGSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001714915741 1419666192 /nfs/dbraw/zinc/66/61/92/1419666192.db2.gz YOODRNSUTJCMMY-QZTJIDSGSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015698 1419743829 /nfs/dbraw/zinc/74/38/29/1419743829.db2.gz CJESOUWLXXPYEU-ZBFHGGJFSA-N 2 2 326.444 3.064 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015698 1419743831 /nfs/dbraw/zinc/74/38/31/1419743831.db2.gz CJESOUWLXXPYEU-ZBFHGGJFSA-N 2 2 326.444 3.064 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715393977 1420091556 /nfs/dbraw/zinc/09/15/56/1420091556.db2.gz VJKVMVGIFPVHRI-DNVCBOLYSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001716635041 1420793290 /nfs/dbraw/zinc/79/32/90/1420793290.db2.gz JFRTZIQKHXWLJM-SJLPKXTDSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733465277 1429697088 /nfs/dbraw/zinc/69/70/88/1429697088.db2.gz ZEAKCHDECVWVCP-FQEVSTJZSA-N 2 2 340.471 3.361 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733465277 1429697091 /nfs/dbraw/zinc/69/70/91/1429697091.db2.gz ZEAKCHDECVWVCP-FQEVSTJZSA-N 2 2 340.471 3.361 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001724943670 1425328606 /nfs/dbraw/zinc/32/86/06/1425328606.db2.gz GDEYSCGCECUNOJ-HOTGVXAUSA-N 2 2 334.508 3.094 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648793 308008626 /nfs/dbraw/zinc/00/86/26/308008626.db2.gz KEOBYEWCVZKTEA-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648793 308008627 /nfs/dbraw/zinc/00/86/27/308008627.db2.gz KEOBYEWCVZKTEA-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648793 308008628 /nfs/dbraw/zinc/00/86/28/308008628.db2.gz KEOBYEWCVZKTEA-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648793 308008629 /nfs/dbraw/zinc/00/86/29/308008629.db2.gz KEOBYEWCVZKTEA-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805874 456079338 /nfs/dbraw/zinc/07/93/38/456079338.db2.gz OSQGSWDECPXJMM-LRDDRELGSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805874 456079342 /nfs/dbraw/zinc/07/93/42/456079342.db2.gz OSQGSWDECPXJMM-LRDDRELGSA-N 2 2 336.277 3.235 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000084659921 454003828 /nfs/dbraw/zinc/00/38/28/454003828.db2.gz TZQYMZVCIQSFBY-UHFFFAOYSA-N 2 2 328.485 3.335 10 30 EGEELP C[NH+](C)CCCOc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000132274064 454326240 /nfs/dbraw/zinc/32/62/40/454326240.db2.gz NAXCAEUAZRREGW-UHFFFAOYSA-N 2 2 349.438 3.149 10 30 EGEELP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180127784 455135993 /nfs/dbraw/zinc/13/59/93/455135993.db2.gz LGQARUFFNHYLPZ-GOSISDBHSA-N 2 2 341.455 3.430 10 30 EGEELP C=CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180127784 455135997 /nfs/dbraw/zinc/13/59/97/455135997.db2.gz LGQARUFFNHYLPZ-GOSISDBHSA-N 2 2 341.455 3.430 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@H+]1C ZINC000287805874 456079334 /nfs/dbraw/zinc/07/93/34/456079334.db2.gz OSQGSWDECPXJMM-LRDDRELGSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000287805874 456079330 /nfs/dbraw/zinc/07/93/30/456079330.db2.gz OSQGSWDECPXJMM-LRDDRELGSA-N 2 2 336.277 3.235 10 30 EGEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423104687 458430117 /nfs/dbraw/zinc/43/01/17/458430117.db2.gz YLMSGQZTPCOWQY-GTAWCEEGSA-N 2 2 330.472 3.059 10 30 EGEELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OCCCC#N ZINC000594961768 459195429 /nfs/dbraw/zinc/19/54/29/459195429.db2.gz HOLPTMIEJVPVHV-KRWDZBQOSA-N 2 2 345.487 3.340 10 30 EGEELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OCCCC#N ZINC000594961768 459195434 /nfs/dbraw/zinc/19/54/34/459195434.db2.gz HOLPTMIEJVPVHV-KRWDZBQOSA-N 2 2 345.487 3.340 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000591081800 459308414 /nfs/dbraw/zinc/30/84/14/459308414.db2.gz IBPKGOIWEJNTRW-QGZVFWFLSA-N 2 2 326.444 3.007 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000591081800 459308418 /nfs/dbraw/zinc/30/84/18/459308418.db2.gz IBPKGOIWEJNTRW-QGZVFWFLSA-N 2 2 326.444 3.007 10 30 EGEELP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805875 459743563 /nfs/dbraw/zinc/74/35/63/459743563.db2.gz ISETUMADILIYSM-IBGZPJMESA-N 2 2 327.472 3.476 10 30 EGEELP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805875 459743568 /nfs/dbraw/zinc/74/35/68/459743568.db2.gz ISETUMADILIYSM-IBGZPJMESA-N 2 2 327.472 3.476 10 30 EGEELP C=C(C)COc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1OC ZINC000545856358 459861328 /nfs/dbraw/zinc/86/13/28/459861328.db2.gz RGXQVRCSEDRJCF-UHFFFAOYSA-N 2 2 330.472 3.392 10 30 EGEELP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000594439414 460220096 /nfs/dbraw/zinc/22/00/96/460220096.db2.gz VOOJSPDFSZETQF-CQSZACIVSA-N 2 2 325.416 3.180 10 30 EGEELP C=CC[C@@]1(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662578 461340099 /nfs/dbraw/zinc/34/00/99/461340099.db2.gz HNQHZAQFJSOUBM-KDOFPFPSSA-N 2 2 348.516 3.012 10 30 EGEELP C=CC[C@@]1(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662578 461340105 /nfs/dbraw/zinc/34/01/05/461340105.db2.gz HNQHZAQFJSOUBM-KDOFPFPSSA-N 2 2 348.516 3.012 10 30 EGEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC ZINC000925619768 1325233426 /nfs/dbraw/zinc/23/34/26/1325233426.db2.gz AUMNOCKMRJBUON-APWZRJJASA-N 2 2 343.471 3.140 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001325429740 1387971113 /nfs/dbraw/zinc/97/11/13/1387971113.db2.gz VBEJQMDAZQXYSH-AEFFLSMTSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001316700917 1384529712 /nfs/dbraw/zinc/52/97/12/1384529712.db2.gz XSELDRSWSKPGMX-CEXWTWQISA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698730716 1406380593 /nfs/dbraw/zinc/38/05/93/1406380593.db2.gz STUPLLBDHIVVBD-GOEBONIOSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765805 1394328060 /nfs/dbraw/zinc/32/80/60/1394328060.db2.gz HKEGPJCKRGXOTP-RTBURBONSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765805 1394328063 /nfs/dbraw/zinc/32/80/63/1394328063.db2.gz HKEGPJCKRGXOTP-RTBURBONSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767558 1394511191 /nfs/dbraw/zinc/51/11/91/1394511191.db2.gz GRBAXTQPSDRVIV-DOTOQJQBSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767558 1394511193 /nfs/dbraw/zinc/51/11/93/1394511193.db2.gz GRBAXTQPSDRVIV-DOTOQJQBSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048444 1395213218 /nfs/dbraw/zinc/21/32/18/1395213218.db2.gz UZMDEWHPNHUEOK-HKUYNNGSSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048444 1395213220 /nfs/dbraw/zinc/21/32/20/1395213220.db2.gz UZMDEWHPNHUEOK-HKUYNNGSSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484532715 1395418774 /nfs/dbraw/zinc/41/87/74/1395418774.db2.gz PTITUJOXCGRABS-GOSISDBHSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001691690227 1405425206 /nfs/dbraw/zinc/42/52/06/1405425206.db2.gz PFONJXZFORQRLW-SJORKVTESA-N 2 2 344.503 3.010 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001700018014 1413464730 /nfs/dbraw/zinc/46/47/30/1413464730.db2.gz VBWOJJJTZQAAJQ-RTBURBONSA-N 2 2 346.519 3.296 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001700018014 1413464732 /nfs/dbraw/zinc/46/47/32/1413464732.db2.gz VBWOJJJTZQAAJQ-RTBURBONSA-N 2 2 346.519 3.296 10 30 EGEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001700340730 1413819971 /nfs/dbraw/zinc/81/99/71/1413819971.db2.gz HWMLIHOQTIDRRW-UHFFFAOYSA-N 2 2 341.499 3.204 10 30 EGEELP C#CCC[N@H+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001700340730 1413819980 /nfs/dbraw/zinc/81/99/80/1413819980.db2.gz HWMLIHOQTIDRRW-UHFFFAOYSA-N 2 2 341.499 3.204 10 30 EGEELP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001713101076 1417653659 /nfs/dbraw/zinc/65/36/59/1417653659.db2.gz LZRBKASBTJCOFV-LJQANCHMSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001713683377 1418435654 /nfs/dbraw/zinc/43/56/54/1418435654.db2.gz VTGSNPJMROSJDC-HOTGVXAUSA-N 2 2 346.519 3.259 10 30 EGEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714214361 1419012798 /nfs/dbraw/zinc/01/27/98/1419012798.db2.gz NDFSLCMTDCNAMT-MOPGFXCFSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714802919 1419516207 /nfs/dbraw/zinc/51/62/07/1419516207.db2.gz CVSBQYMRQILXMU-PKOBYXMFSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C(C)C)cc1 ZINC001714832875 1419543668 /nfs/dbraw/zinc/54/36/68/1419543668.db2.gz BQBSATJPBIRGEQ-LJQANCHMSA-N 2 2 340.471 3.099 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001716051522 1420515490 /nfs/dbraw/zinc/51/54/90/1420515490.db2.gz ZMBQAOXZEYSBFU-MJGOQNOKSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001716051522 1420515492 /nfs/dbraw/zinc/51/54/92/1420515492.db2.gz ZMBQAOXZEYSBFU-MJGOQNOKSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001716051522 1420515494 /nfs/dbraw/zinc/51/54/94/1420515494.db2.gz ZMBQAOXZEYSBFU-MJGOQNOKSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001716051522 1420515495 /nfs/dbraw/zinc/51/54/95/1420515495.db2.gz ZMBQAOXZEYSBFU-MJGOQNOKSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488564 1420708262 /nfs/dbraw/zinc/70/82/62/1420708262.db2.gz PGJIMRQXXVKADA-DLBZAZTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488564 1420708264 /nfs/dbraw/zinc/70/82/64/1420708264.db2.gz PGJIMRQXXVKADA-DLBZAZTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308892 1421250852 /nfs/dbraw/zinc/25/08/52/1421250852.db2.gz ADJZPPSQMAGGIU-ROUUACIJSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308892 1421250854 /nfs/dbraw/zinc/25/08/54/1421250854.db2.gz ADJZPPSQMAGGIU-ROUUACIJSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731750203 1427844531 /nfs/dbraw/zinc/84/45/31/1427844531.db2.gz SMGSFLFFHWLMQK-HNNXBMFYSA-N 2 2 346.862 3.290 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731750203 1427844537 /nfs/dbraw/zinc/84/45/37/1427844537.db2.gz SMGSFLFFHWLMQK-HNNXBMFYSA-N 2 2 346.862 3.290 10 30 EGEELP C=C(C)CC[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001731879913 1428148823 /nfs/dbraw/zinc/14/88/23/1428148823.db2.gz COGMTXLDLYIHLI-UHFFFAOYSA-N 2 2 338.455 3.033 10 30 EGEELP C=C(C)CC[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001731879913 1428148825 /nfs/dbraw/zinc/14/88/25/1428148825.db2.gz COGMTXLDLYIHLI-UHFFFAOYSA-N 2 2 338.455 3.033 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001734438578 1438101027 /nfs/dbraw/zinc/10/10/27/1438101027.db2.gz MNZCZWXMBAKIRM-WSTZPKSXSA-N 2 2 344.503 3.160 10 30 EGEELP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001734438578 1438101029 /nfs/dbraw/zinc/10/10/29/1438101029.db2.gz MNZCZWXMBAKIRM-WSTZPKSXSA-N 2 2 344.503 3.160 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245573307 455333677 /nfs/dbraw/zinc/33/36/77/455333677.db2.gz YWSVKNGSRILQON-AEFFLSMTSA-N 2 2 336.439 3.306 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245573307 455333681 /nfs/dbraw/zinc/33/36/81/455333681.db2.gz YWSVKNGSRILQON-AEFFLSMTSA-N 2 2 336.439 3.306 10 30 EGEELP N#Cc1ccc2[nH+]cc(CNc3ccc(CC[NH+]4CCCC4)cc3)n2c1 ZINC000122496603 454539446 /nfs/dbraw/zinc/53/94/46/454539446.db2.gz ICCHWUYWKORAQC-UHFFFAOYSA-N 2 2 345.450 3.456 10 30 EGEELP N#Cc1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn2ccccc12 ZINC000171643720 455082239 /nfs/dbraw/zinc/08/22/39/455082239.db2.gz YZXRVXZOSIOBLA-MRXNPFEDSA-N 2 2 331.423 3.140 10 30 EGEELP N#Cc1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn2ccccc12 ZINC000171643720 455082242 /nfs/dbraw/zinc/08/22/42/455082242.db2.gz YZXRVXZOSIOBLA-MRXNPFEDSA-N 2 2 331.423 3.140 10 30 EGEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000180129756 455136849 /nfs/dbraw/zinc/13/68/49/455136849.db2.gz OXZCTRSZLHEROW-FQEVSTJZSA-N 2 2 337.471 3.206 10 30 EGEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000180129756 455136850 /nfs/dbraw/zinc/13/68/50/455136850.db2.gz OXZCTRSZLHEROW-FQEVSTJZSA-N 2 2 337.471 3.206 10 30 EGEELP CN(C)c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH+]c1 ZINC000182602028 455550708 /nfs/dbraw/zinc/55/07/08/455550708.db2.gz ZBXOYXYWILTYJY-UHFFFAOYSA-N 2 2 335.455 3.096 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000195291499 455941204 /nfs/dbraw/zinc/94/12/04/455941204.db2.gz KLKTUJVRBRRQBV-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000195291499 455941208 /nfs/dbraw/zinc/94/12/08/455941208.db2.gz KLKTUJVRBRRQBV-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000195291499 455941210 /nfs/dbraw/zinc/94/12/10/455941210.db2.gz KLKTUJVRBRRQBV-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356194753 457522460 /nfs/dbraw/zinc/52/24/60/457522460.db2.gz PNGSBGQFZKTXKY-UHFFFAOYSA-N 2 2 340.496 3.359 10 30 EGEELP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356194753 457522467 /nfs/dbraw/zinc/52/24/67/457522467.db2.gz PNGSBGQFZKTXKY-UHFFFAOYSA-N 2 2 340.496 3.359 10 30 EGEELP N#Cc1ccc(OCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000358194286 457850989 /nfs/dbraw/zinc/85/09/89/457850989.db2.gz BTCIOCJNKSOXPQ-FQEVSTJZSA-N 2 2 335.451 3.191 10 30 EGEELP N#Cc1ccc(OCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000358194286 457850996 /nfs/dbraw/zinc/85/09/96/457850996.db2.gz BTCIOCJNKSOXPQ-FQEVSTJZSA-N 2 2 335.451 3.191 10 30 EGEELP COc1ccc([C@@H]([NH2+]CCc2cccc(C#N)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423110210 458430062 /nfs/dbraw/zinc/43/00/62/458430062.db2.gz VGQCCBJTIQRUTN-NHCUHLMSSA-N 2 2 335.451 3.192 10 30 EGEELP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594955817 459191804 /nfs/dbraw/zinc/19/18/04/459191804.db2.gz FGPSWLKTQZPTIJ-FQEVSTJZSA-N 2 2 341.499 3.317 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031384 459747013 /nfs/dbraw/zinc/74/70/13/459747013.db2.gz VFQVOIGSJAFRIS-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031384 459747017 /nfs/dbraw/zinc/74/70/17/459747017.db2.gz VFQVOIGSJAFRIS-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031384 459747024 /nfs/dbraw/zinc/74/70/24/459747024.db2.gz VFQVOIGSJAFRIS-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031384 459747028 /nfs/dbraw/zinc/74/70/28/459747028.db2.gz VFQVOIGSJAFRIS-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000599084299 460156556 /nfs/dbraw/zinc/15/65/56/460156556.db2.gz RMAYTDPZYHJACM-KRWDZBQOSA-N 2 2 327.472 3.196 10 30 EGEELP COC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000922946609 1322656667 /nfs/dbraw/zinc/65/66/67/1322656667.db2.gz LJKXTKFHBUBMKE-IBGZPJMESA-N 2 2 329.488 3.031 10 30 EGEELP C=CC1(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000931216059 1329073020 /nfs/dbraw/zinc/07/30/20/1329073020.db2.gz BCDRUYKMCLTWCS-UHFFFAOYSA-N 2 2 347.547 3.188 10 30 EGEELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739599 1327693458 /nfs/dbraw/zinc/69/34/58/1327693458.db2.gz VWGYEBGBJZGGEZ-VQIMIIECSA-N 2 2 327.472 3.427 10 30 EGEELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739599 1327693468 /nfs/dbraw/zinc/69/34/68/1327693468.db2.gz VWGYEBGBJZGGEZ-VQIMIIECSA-N 2 2 327.472 3.427 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745633 1331176924 /nfs/dbraw/zinc/17/69/24/1331176924.db2.gz RFVQCFAZODXZIO-KRWDZBQOSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745633 1331176926 /nfs/dbraw/zinc/17/69/26/1331176926.db2.gz RFVQCFAZODXZIO-KRWDZBQOSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940835464 1331211070 /nfs/dbraw/zinc/21/10/70/1331211070.db2.gz CNTLWOMQLCISRB-QGZVFWFLSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940835464 1331211073 /nfs/dbraw/zinc/21/10/73/1331211073.db2.gz CNTLWOMQLCISRB-QGZVFWFLSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886465 1331237598 /nfs/dbraw/zinc/23/75/98/1331237598.db2.gz PDVSINTUZYTVSJ-QGZVFWFLSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886465 1331237602 /nfs/dbraw/zinc/23/76/02/1331237602.db2.gz PDVSINTUZYTVSJ-QGZVFWFLSA-N 2 2 340.471 3.131 10 30 EGEELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877199 1368508995 /nfs/dbraw/zinc/50/89/95/1368508995.db2.gz TURPAPXKLZTKSE-NRFANRHFSA-N 2 2 346.434 3.218 10 30 EGEELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877199 1368508996 /nfs/dbraw/zinc/50/89/96/1368508996.db2.gz TURPAPXKLZTKSE-NRFANRHFSA-N 2 2 346.434 3.218 10 30 EGEELP C#CC[N@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001178827088 1386319042 /nfs/dbraw/zinc/31/90/42/1386319042.db2.gz MGDGPENJUKCGLD-UHFFFAOYSA-N 2 2 338.499 3.215 10 30 EGEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001178827088 1386319047 /nfs/dbraw/zinc/31/90/47/1386319047.db2.gz MGDGPENJUKCGLD-UHFFFAOYSA-N 2 2 338.499 3.215 10 30 EGEELP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001329940637 1389269987 /nfs/dbraw/zinc/26/99/87/1389269987.db2.gz ZTGZYMRCJRPADI-MSOLQXFVSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001329940637 1389269993 /nfs/dbraw/zinc/26/99/93/1389269993.db2.gz ZTGZYMRCJRPADI-MSOLQXFVSA-N 2 2 332.492 3.161 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001331903276 1389903970 /nfs/dbraw/zinc/90/39/70/1389903970.db2.gz OWEZQFBPJCHRFA-IAGOWNOFSA-N 2 2 342.487 3.497 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001479994837 1392526494 /nfs/dbraw/zinc/52/64/94/1392526494.db2.gz COXMJCQFHQIFHY-INIZCTEOSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001490623766 1394286889 /nfs/dbraw/zinc/28/68/89/1394286889.db2.gz VAHDEKYWGUIVBO-MRXNPFEDSA-N 2 2 346.519 3.318 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110144 1394431387 /nfs/dbraw/zinc/43/13/87/1394431387.db2.gz FIDDGVKERMOKFK-JKSUJKDBSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110144 1394431389 /nfs/dbraw/zinc/43/13/89/1394431389.db2.gz FIDDGVKERMOKFK-JKSUJKDBSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690416227 1404547116 /nfs/dbraw/zinc/54/71/16/1404547116.db2.gz JBFVSZMITMDXSL-SFHVURJKSA-N 2 2 329.488 3.415 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001691557783 1405337657 /nfs/dbraw/zinc/33/76/57/1405337657.db2.gz HGMOXWKPJWXDJY-MSOLQXFVSA-N 2 2 346.519 3.093 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001691557783 1405337658 /nfs/dbraw/zinc/33/76/58/1405337658.db2.gz HGMOXWKPJWXDJY-MSOLQXFVSA-N 2 2 346.519 3.093 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001691557783 1405337663 /nfs/dbraw/zinc/33/76/63/1405337663.db2.gz HGMOXWKPJWXDJY-MSOLQXFVSA-N 2 2 346.519 3.093 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001691557783 1405337667 /nfs/dbraw/zinc/33/76/67/1405337667.db2.gz HGMOXWKPJWXDJY-MSOLQXFVSA-N 2 2 346.519 3.093 10 30 EGEELP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001692004366 1405721463 /nfs/dbraw/zinc/72/14/63/1405721463.db2.gz JDXKDMFIDACLCQ-DLBZAZTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071407 1428320177 /nfs/dbraw/zinc/32/01/77/1428320177.db2.gz MLFIHDNADIJVFY-HOTGVXAUSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071407 1428320181 /nfs/dbraw/zinc/32/01/81/1428320181.db2.gz MLFIHDNADIJVFY-HOTGVXAUSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001732404282 1428568280 /nfs/dbraw/zinc/56/82/80/1428568280.db2.gz ZWUYBMGVWNEHQL-QZTJIDSGSA-N 2 2 344.503 3.113 10 30 EGEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001732508104 1428627514 /nfs/dbraw/zinc/62/75/14/1428627514.db2.gz LOCLRXBGTIJKLN-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001707107958 1417204026 /nfs/dbraw/zinc/20/40/26/1417204026.db2.gz RIKQJGGRYKFVGK-GOEBONIOSA-N 2 2 326.444 3.017 10 30 EGEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001707174491 1417229245 /nfs/dbraw/zinc/22/92/45/1417229245.db2.gz CDNARELDJBZKQE-ZIFCJYIRSA-N 2 2 346.519 3.161 10 30 EGEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001707174491 1417229247 /nfs/dbraw/zinc/22/92/47/1417229247.db2.gz CDNARELDJBZKQE-ZIFCJYIRSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001713683378 1418435918 /nfs/dbraw/zinc/43/59/18/1418435918.db2.gz VTGSNPJMROSJDC-HZPDHXFCSA-N 2 2 346.519 3.259 10 30 EGEELP CCCCCCC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001713785894 1418603064 /nfs/dbraw/zinc/60/30/64/1418603064.db2.gz RIZZEUSYZOALMX-UHFFFAOYSA-N 2 2 334.508 3.154 10 30 EGEELP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001715185023 1419918145 /nfs/dbraw/zinc/91/81/45/1419918145.db2.gz ZFWCMIIWDJITOA-WKILWMFISA-N 2 2 326.444 3.160 10 30 EGEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001715435176 1420121573 /nfs/dbraw/zinc/12/15/73/1420121573.db2.gz DNKGNKWWBQPEOI-ZWKOTPCHSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001717033345 1421086856 /nfs/dbraw/zinc/08/68/56/1421086856.db2.gz TUSSOGSNRJUJIN-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001717033345 1421086857 /nfs/dbraw/zinc/08/68/57/1421086857.db2.gz TUSSOGSNRJUJIN-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731517649 1427505803 /nfs/dbraw/zinc/50/58/03/1427505803.db2.gz ORBXYPPJIOYJEB-JKSUJKDBSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847044 1428072710 /nfs/dbraw/zinc/07/27/10/1428072710.db2.gz PNTMHPSPIMSCJF-NVXWUHKLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847044 1428072712 /nfs/dbraw/zinc/07/27/12/1428072712.db2.gz PNTMHPSPIMSCJF-NVXWUHKLSA-N 2 2 340.471 3.049 10 30 EGEELP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001734118685 1437900344 /nfs/dbraw/zinc/90/03/44/1437900344.db2.gz HIJUDXZDBNZSCH-MRXNPFEDSA-N 2 2 342.487 3.355 10 30 EGEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468915 144159319 /nfs/dbraw/zinc/15/93/19/144159319.db2.gz CUNIZYUMCNPDAE-IRLDBZIGSA-N 2 2 348.494 3.324 10 30 EGEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468915 144159322 /nfs/dbraw/zinc/15/93/22/144159322.db2.gz CUNIZYUMCNPDAE-IRLDBZIGSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468915 144159324 /nfs/dbraw/zinc/15/93/24/144159324.db2.gz CUNIZYUMCNPDAE-IRLDBZIGSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468915 144159326 /nfs/dbraw/zinc/15/93/26/144159326.db2.gz CUNIZYUMCNPDAE-IRLDBZIGSA-N 2 2 348.494 3.324 10 30 EGEELP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000518783957 269852707 /nfs/dbraw/zinc/85/27/07/269852707.db2.gz IMRQWTMJLXNDRS-QZTJIDSGSA-N 2 2 340.515 3.380 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246194201 455445791 /nfs/dbraw/zinc/44/57/91/455445791.db2.gz IFURYTILPOQCQK-DYESRHJHSA-N 2 2 335.451 3.199 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246194201 455445794 /nfs/dbraw/zinc/44/57/94/455445794.db2.gz IFURYTILPOQCQK-DYESRHJHSA-N 2 2 335.451 3.199 10 30 EGEELP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000352838075 456352437 /nfs/dbraw/zinc/35/24/37/456352437.db2.gz PIZFRFWJTPZBKR-ZBFHGGJFSA-N 2 2 326.469 3.157 10 30 EGEELP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000352838075 456352440 /nfs/dbraw/zinc/35/24/40/456352440.db2.gz PIZFRFWJTPZBKR-ZBFHGGJFSA-N 2 2 326.469 3.157 10 30 EGEELP COc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC000440808341 458855750 /nfs/dbraw/zinc/85/57/50/458855750.db2.gz XNIKUXODSXBEQZ-UHFFFAOYSA-N 2 2 332.407 3.101 10 30 EGEELP C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000521252313 459135247 /nfs/dbraw/zinc/13/52/47/459135247.db2.gz FMXSNWIYYWSCDV-YOEHRIQHSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000521252313 459135254 /nfs/dbraw/zinc/13/52/54/459135254.db2.gz FMXSNWIYYWSCDV-YOEHRIQHSA-N 2 2 342.443 3.209 10 30 EGEELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)[C@H]1c1cccs1 ZINC000573731259 459725313 /nfs/dbraw/zinc/72/53/13/459725313.db2.gz DZLREFBFYHAPMM-WBMJQRKESA-N 2 2 332.498 3.249 10 30 EGEELP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)[C@H]1c1cccs1 ZINC000573731259 459725317 /nfs/dbraw/zinc/72/53/17/459725317.db2.gz DZLREFBFYHAPMM-WBMJQRKESA-N 2 2 332.498 3.249 10 30 EGEELP CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC ZINC000925619769 1325232597 /nfs/dbraw/zinc/23/25/97/1325232597.db2.gz AUMNOCKMRJBUON-LPHOPBHVSA-N 2 2 343.471 3.140 10 30 EGEELP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790128 1325302282 /nfs/dbraw/zinc/30/22/82/1325302282.db2.gz DPWHSUAQYGLDNO-AZUAARDMSA-N 2 2 339.483 3.074 10 30 EGEELP CC(C)([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000865743971 1329734587 /nfs/dbraw/zinc/73/45/87/1329734587.db2.gz LAYUWHNPGSZUCY-HXUWFJFHSA-N 2 2 341.499 3.460 10 30 EGEELP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001324195067 1387554931 /nfs/dbraw/zinc/55/49/31/1387554931.db2.gz VZUMXLDCCWVZSK-KRWDZBQOSA-N 2 2 342.487 3.499 10 30 EGEELP C#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001199084402 1369178179 /nfs/dbraw/zinc/17/81/79/1369178179.db2.gz CTEHZKTUIKKIJF-UHFFFAOYSA-N 2 2 347.506 3.278 10 30 EGEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657783 1377465092 /nfs/dbraw/zinc/46/50/92/1377465092.db2.gz FAMUIOSKHGRUIK-OALUTQOASA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657783 1377465095 /nfs/dbraw/zinc/46/50/95/1377465095.db2.gz FAMUIOSKHGRUIK-OALUTQOASA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[NH+]1CCC(N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317007607 1384770604 /nfs/dbraw/zinc/77/06/04/1384770604.db2.gz ZQCNNQJPRVUXQT-KRWDZBQOSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317977772 1385595701 /nfs/dbraw/zinc/59/57/01/1385595701.db2.gz NRVUGRJDUIETFA-SFHVURJKSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317977772 1385595706 /nfs/dbraw/zinc/59/57/06/1385595706.db2.gz NRVUGRJDUIETFA-SFHVURJKSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001319654392 1386235746 /nfs/dbraw/zinc/23/57/46/1386235746.db2.gz DQJCEXPEYDCFKC-SFHVURJKSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001319881959 1386358164 /nfs/dbraw/zinc/35/81/64/1386358164.db2.gz XMGOQRPSPMXCGE-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCC[N@H+](C)CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001319881959 1386358167 /nfs/dbraw/zinc/35/81/67/1386358167.db2.gz XMGOQRPSPMXCGE-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001329940638 1389269621 /nfs/dbraw/zinc/26/96/21/1389269621.db2.gz ZTGZYMRCJRPADI-QZTJIDSGSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001329940638 1389269624 /nfs/dbraw/zinc/26/96/24/1389269624.db2.gz ZTGZYMRCJRPADI-QZTJIDSGSA-N 2 2 332.492 3.161 10 30 EGEELP C=CC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001481369416 1394209333 /nfs/dbraw/zinc/20/93/33/1394209333.db2.gz SHKWPMQYUBJCAW-HXUWFJFHSA-N 2 2 346.434 3.119 10 30 EGEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001490761405 1394324040 /nfs/dbraw/zinc/32/40/40/1394324040.db2.gz BOTHFIPDUVTPGM-QGZVFWFLSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001490761405 1394324049 /nfs/dbraw/zinc/32/40/49/1394324049.db2.gz BOTHFIPDUVTPGM-QGZVFWFLSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481973544 1394635618 /nfs/dbraw/zinc/63/56/18/1394635618.db2.gz DCLSLMWWXARKNS-QGZVFWFLSA-N 2 2 340.471 3.051 10 30 EGEELP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001482015946 1394673204 /nfs/dbraw/zinc/67/32/04/1394673204.db2.gz NCVMFDAOBGSRTF-IYARVYRRSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001482222088 1394815733 /nfs/dbraw/zinc/81/57/33/1394815733.db2.gz HQZIVMKGTIURFW-UHFFFAOYSA-N 2 2 326.444 3.161 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001484828185 1395565542 /nfs/dbraw/zinc/56/55/42/1395565542.db2.gz BHXYDEHYSSMPQT-HXUWFJFHSA-N 2 2 346.519 3.168 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001484828185 1395565543 /nfs/dbraw/zinc/56/55/43/1395565543.db2.gz BHXYDEHYSSMPQT-HXUWFJFHSA-N 2 2 346.519 3.168 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492159926 1396310014 /nfs/dbraw/zinc/31/00/14/1396310014.db2.gz LYGSYLRULCLHTI-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492159926 1396310015 /nfs/dbraw/zinc/31/00/15/1396310015.db2.gz LYGSYLRULCLHTI-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001692114811 1405778224 /nfs/dbraw/zinc/77/82/24/1405778224.db2.gz VZDAWVRAHGJPKQ-YWTNHNAXSA-N 2 2 344.503 3.086 10 30 EGEELP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001692114811 1405778228 /nfs/dbraw/zinc/77/82/28/1405778228.db2.gz VZDAWVRAHGJPKQ-YWTNHNAXSA-N 2 2 344.503 3.086 10 30 EGEELP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732467274 1428596747 /nfs/dbraw/zinc/59/67/47/1428596747.db2.gz WHFXCSBJQTWZDH-SFHVURJKSA-N 2 2 340.471 3.183 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700842207 1414492017 /nfs/dbraw/zinc/49/20/17/1414492017.db2.gz NRZLCQGJXFXKSO-IRXDYDNUSA-N 2 2 342.487 3.497 10 30 EGEELP C=CCCC[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714327458 1419106421 /nfs/dbraw/zinc/10/64/21/1419106421.db2.gz YGRAIAANNSKPJK-UHFFFAOYSA-N 2 2 340.471 3.361 10 30 EGEELP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715150245 1419894604 /nfs/dbraw/zinc/89/46/04/1419894604.db2.gz YBCDQOIKJJFRNP-QGZVFWFLSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001733274391 1429437363 /nfs/dbraw/zinc/43/73/63/1429437363.db2.gz HMEPVCSXHRJZOG-MOPGFXCFSA-N 2 2 344.503 3.085 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001733274391 1429437364 /nfs/dbraw/zinc/43/73/64/1429437364.db2.gz HMEPVCSXHRJZOG-MOPGFXCFSA-N 2 2 344.503 3.085 10 30 EGEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001717117282 1421121891 /nfs/dbraw/zinc/12/18/91/1421121891.db2.gz YIBMBRAETHYOGK-HNNXBMFYSA-N 2 2 346.434 3.167 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001717247369 1421218620 /nfs/dbraw/zinc/21/86/20/1421218620.db2.gz GBWHMQSLDCFUQC-FQEVSTJZSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001717247369 1421218621 /nfs/dbraw/zinc/21/86/21/1421218621.db2.gz GBWHMQSLDCFUQC-FQEVSTJZSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393090 1429584351 /nfs/dbraw/zinc/58/43/51/1429584351.db2.gz NQSMANPPRYHGRT-XLIONFOSSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393090 1429584356 /nfs/dbraw/zinc/58/43/56/1429584356.db2.gz NQSMANPPRYHGRT-XLIONFOSSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001722944807 1424271796 /nfs/dbraw/zinc/27/17/96/1424271796.db2.gz WYTQGGLIZHDQLU-QZTJIDSGSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCCC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001725783343 1426468338 /nfs/dbraw/zinc/46/83/38/1426468338.db2.gz BIRZEHNIBGSSPE-UHFFFAOYSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001731996753 1428205924 /nfs/dbraw/zinc/20/59/24/1428205924.db2.gz BFQCNPNTJSEFFL-INIZCTEOSA-N 2 2 329.488 3.413 10 30 EGEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156228960 206064846 /nfs/dbraw/zinc/06/48/46/206064846.db2.gz KNCWHZURUIDYOO-GOSISDBHSA-N 2 2 338.455 3.423 10 30 EGEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156228960 206064849 /nfs/dbraw/zinc/06/48/49/206064849.db2.gz KNCWHZURUIDYOO-GOSISDBHSA-N 2 2 338.455 3.423 10 30 EGEELP CC(C)n1c[nH+]cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000425323300 270049138 /nfs/dbraw/zinc/04/91/38/270049138.db2.gz IZMCGSOLCAUIRB-UHFFFAOYSA-N 2 2 337.471 3.044 10 30 EGEELP CC(C)n1c[nH+]cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000425323300 270049140 /nfs/dbraw/zinc/04/91/40/270049140.db2.gz IZMCGSOLCAUIRB-UHFFFAOYSA-N 2 2 337.471 3.044 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000246153919 455438291 /nfs/dbraw/zinc/43/82/91/455438291.db2.gz CLARDIOPLNPVGE-WIYYLYMNSA-N 2 2 327.516 3.137 10 30 EGEELP N#CCCCOc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127719815 454990647 /nfs/dbraw/zinc/99/06/47/454990647.db2.gz OIFNYEGPHPSHDR-UHFFFAOYSA-N 2 2 327.472 3.429 10 30 EGEELP C#CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471024 455325148 /nfs/dbraw/zinc/32/51/48/455325148.db2.gz DKCOEIJCBZWPLU-OAQYLSRUSA-N 2 2 349.478 3.048 10 30 EGEELP C#CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471024 455325153 /nfs/dbraw/zinc/32/51/53/455325153.db2.gz DKCOEIJCBZWPLU-OAQYLSRUSA-N 2 2 349.478 3.048 10 30 EGEELP C#CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471024 455325159 /nfs/dbraw/zinc/32/51/59/455325159.db2.gz DKCOEIJCBZWPLU-OAQYLSRUSA-N 2 2 349.478 3.048 10 30 EGEELP C#CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471024 455325161 /nfs/dbraw/zinc/32/51/61/455325161.db2.gz DKCOEIJCBZWPLU-OAQYLSRUSA-N 2 2 349.478 3.048 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)cn3)CC2)cc1 ZINC000182112706 455437985 /nfs/dbraw/zinc/43/79/85/455437985.db2.gz WVDRMXKEZQITBU-UHFFFAOYSA-N 2 2 340.858 3.361 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000358569925 458083936 /nfs/dbraw/zinc/08/39/36/458083936.db2.gz MRLAJDGLEIMGNS-YRNRMSPPSA-N 2 2 347.478 3.485 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000358569925 458083942 /nfs/dbraw/zinc/08/39/42/458083942.db2.gz MRLAJDGLEIMGNS-YRNRMSPPSA-N 2 2 347.478 3.485 10 30 EGEELP N#C[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373487071 458507800 /nfs/dbraw/zinc/50/78/00/458507800.db2.gz UVLXWLCTCLZWIX-IQAUEXFUSA-N 2 2 329.410 3.464 10 30 EGEELP C[C@H](CSCCF)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595046659 459227837 /nfs/dbraw/zinc/22/78/37/459227837.db2.gz MFUSQXBBXWUPOZ-OAHLLOKOSA-N 2 2 335.492 3.203 10 30 EGEELP C=CCC[C@@H](O)C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135604 459291595 /nfs/dbraw/zinc/29/15/95/459291595.db2.gz NUTTUBMLMRHOCH-WOJBJXKFSA-N 2 2 330.516 3.376 10 30 EGEELP C=CCC[C@@H](O)C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135604 459291600 /nfs/dbraw/zinc/29/16/00/459291600.db2.gz NUTTUBMLMRHOCH-WOJBJXKFSA-N 2 2 330.516 3.376 10 30 EGEELP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656581 460851180 /nfs/dbraw/zinc/85/11/80/460851180.db2.gz PIDOMOLULPQIHQ-LSDHHAIUSA-N 2 2 328.378 3.211 10 30 EGEELP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656581 460851188 /nfs/dbraw/zinc/85/11/88/460851188.db2.gz PIDOMOLULPQIHQ-LSDHHAIUSA-N 2 2 328.378 3.211 10 30 EGEELP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C#N ZINC000742388662 576777990 /nfs/dbraw/zinc/77/79/90/576777990.db2.gz QVIHALJCHFTMSV-LJQANCHMSA-N 2 2 346.434 3.374 10 30 EGEELP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883237260 1302325828 /nfs/dbraw/zinc/32/58/28/1302325828.db2.gz WUUOQWBAJNOGFP-NHCUHLMSSA-N 2 2 328.500 3.407 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000865651860 1329725397 /nfs/dbraw/zinc/72/53/97/1329725397.db2.gz HYGQARAVLMIDHP-GOSISDBHSA-N 2 2 329.513 3.255 10 30 EGEELP C=C(C)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000934881040 1330014617 /nfs/dbraw/zinc/01/46/17/1330014617.db2.gz YPNIGUWVRYEDCD-UHFFFAOYSA-N 2 2 344.503 3.209 10 30 EGEELP C=C(C)c1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000934881040 1330014618 /nfs/dbraw/zinc/01/46/18/1330014618.db2.gz YPNIGUWVRYEDCD-UHFFFAOYSA-N 2 2 344.503 3.209 10 30 EGEELP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OC(F)F)CC1 ZINC001200126205 1369318424 /nfs/dbraw/zinc/31/84/24/1369318424.db2.gz CKDZSYQOBGMDSU-UHFFFAOYSA-N 2 2 326.387 3.037 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001284070930 1379433199 /nfs/dbraw/zinc/43/31/99/1379433199.db2.gz KUSPNLGWCBFOEW-UYAOXDASSA-N 2 2 346.519 3.344 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001284070930 1379433202 /nfs/dbraw/zinc/43/32/02/1379433202.db2.gz KUSPNLGWCBFOEW-UYAOXDASSA-N 2 2 346.519 3.344 10 30 EGEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327994761 1388640846 /nfs/dbraw/zinc/64/08/46/1388640846.db2.gz ABEIUADMUMLRBU-QGZVFWFLSA-N 2 2 332.492 3.017 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328102745 1388674209 /nfs/dbraw/zinc/67/42/09/1388674209.db2.gz OROKBOXPFCATLO-KRWDZBQOSA-N 2 2 334.508 3.139 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328102745 1388674210 /nfs/dbraw/zinc/67/42/10/1388674210.db2.gz OROKBOXPFCATLO-KRWDZBQOSA-N 2 2 334.508 3.139 10 30 EGEELP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001319809451 1386307993 /nfs/dbraw/zinc/30/79/93/1386307993.db2.gz NNDXBYTZTVGXJT-CVEARBPZSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[N@@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001332720036 1390167052 /nfs/dbraw/zinc/16/70/52/1390167052.db2.gz IKEBYQDIWRVDSC-UHFFFAOYSA-N 2 2 340.471 3.231 10 30 EGEELP C=CCC[N@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001332720036 1390167054 /nfs/dbraw/zinc/16/70/54/1390167054.db2.gz IKEBYQDIWRVDSC-UHFFFAOYSA-N 2 2 340.471 3.231 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001502727006 1396221327 /nfs/dbraw/zinc/22/13/27/1396221327.db2.gz BXTHZYQPRFCOBP-SJORKVTESA-N 2 2 342.487 3.355 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498489056 1397033080 /nfs/dbraw/zinc/03/30/80/1397033080.db2.gz VKALCWRGKIUZAT-ZWKOTPCHSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691300611 1405196444 /nfs/dbraw/zinc/19/64/44/1405196444.db2.gz DNWWXGIOJDNJLY-IAGOWNOFSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001707281788 1417292835 /nfs/dbraw/zinc/29/28/35/1417292835.db2.gz REIWGRPCZLECJB-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001707281788 1417292836 /nfs/dbraw/zinc/29/28/36/1417292836.db2.gz REIWGRPCZLECJB-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713392226 1418004975 /nfs/dbraw/zinc/00/49/75/1418004975.db2.gz POIQRKICLBJVIH-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713392226 1418004980 /nfs/dbraw/zinc/00/49/80/1418004980.db2.gz POIQRKICLBJVIH-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715185884 1419918739 /nfs/dbraw/zinc/91/87/39/1419918739.db2.gz IAEVFNJIKILASS-HNNXBMFYSA-N 2 2 346.862 3.290 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001715302267 1420009895 /nfs/dbraw/zinc/00/98/95/1420009895.db2.gz GBEQZXVPMFPLDE-INIZCTEOSA-N 2 2 340.471 3.321 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001715498484 1420180498 /nfs/dbraw/zinc/18/04/98/1420180498.db2.gz MLBXKRDFFQNQFX-KRWDZBQOSA-N 2 2 346.519 3.115 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001715498484 1420180501 /nfs/dbraw/zinc/18/05/01/1420180501.db2.gz MLBXKRDFFQNQFX-KRWDZBQOSA-N 2 2 346.519 3.115 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001715498484 1420180503 /nfs/dbraw/zinc/18/05/03/1420180503.db2.gz MLBXKRDFFQNQFX-KRWDZBQOSA-N 2 2 346.519 3.115 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001715498484 1420180505 /nfs/dbraw/zinc/18/05/05/1420180505.db2.gz MLBXKRDFFQNQFX-KRWDZBQOSA-N 2 2 346.519 3.115 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716063509 1420523027 /nfs/dbraw/zinc/52/30/27/1420523027.db2.gz NYWNHUMWYJABOA-GOEBONIOSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001716708436 1420862206 /nfs/dbraw/zinc/86/22/06/1420862206.db2.gz FQYRKEBZQFDPGB-ALOPSCKCSA-N 2 2 344.503 3.155 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001717033344 1421086991 /nfs/dbraw/zinc/08/69/91/1421086991.db2.gz TUSSOGSNRJUJIN-IPMKNSEASA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001717033344 1421086992 /nfs/dbraw/zinc/08/69/92/1421086992.db2.gz TUSSOGSNRJUJIN-IPMKNSEASA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717238050 1421206521 /nfs/dbraw/zinc/20/65/21/1421206521.db2.gz HWHQULXZZMEKPF-GOSISDBHSA-N 2 2 346.519 3.407 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001733295361 1429477898 /nfs/dbraw/zinc/47/78/98/1429477898.db2.gz VZVVSBKRTNMRPH-HXUWFJFHSA-N 2 2 346.519 3.168 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001733295361 1429477899 /nfs/dbraw/zinc/47/78/99/1429477899.db2.gz VZVVSBKRTNMRPH-HXUWFJFHSA-N 2 2 346.519 3.168 10 30 EGEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001724959553 1425347701 /nfs/dbraw/zinc/34/77/01/1425347701.db2.gz UTAXWJIUKICBAT-UHFFFAOYSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725136759 1425611842 /nfs/dbraw/zinc/61/18/42/1425611842.db2.gz LPHCJRGVQGERIY-WWDZGPRUSA-N 2 2 346.519 3.067 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001734565229 1438161096 /nfs/dbraw/zinc/16/10/96/1438161096.db2.gz WDHZDZZOFQELBF-KRWDZBQOSA-N 2 2 328.460 3.263 10 30 EGEELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186984133 144148891 /nfs/dbraw/zinc/14/88/91/144148891.db2.gz KWFDCMUNMWQJEE-UHFFFAOYSA-N 2 2 328.847 3.400 10 30 EGEELP CCC[N@H+](C)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739997 460586517 /nfs/dbraw/zinc/58/65/17/460586517.db2.gz GJTIPMHKHCPERH-ROUUACIJSA-N 2 2 349.906 3.367 10 30 EGEELP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739997 460586522 /nfs/dbraw/zinc/58/65/22/460586522.db2.gz GJTIPMHKHCPERH-ROUUACIJSA-N 2 2 349.906 3.367 10 30 EGEELP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[NH+](C)C)cc1 ZINC000600740908 460587029 /nfs/dbraw/zinc/58/70/29/460587029.db2.gz LAABZIXNEGXHLR-VQTJNVASSA-N 2 2 343.515 3.132 10 30 EGEELP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000152249766 455092564 /nfs/dbraw/zinc/09/25/64/455092564.db2.gz CDDSVCOJBBVUCC-INIZCTEOSA-N 2 2 347.466 3.425 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897767 455723647 /nfs/dbraw/zinc/72/36/47/455723647.db2.gz QDHCOLFUCIMKIM-NQIIRXRSSA-N 3 2 327.516 3.137 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897767 455723651 /nfs/dbraw/zinc/72/36/51/455723651.db2.gz QDHCOLFUCIMKIM-NQIIRXRSSA-N 3 2 327.516 3.137 10 30 EGEELP C[N@@H+]1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000289357902 456122714 /nfs/dbraw/zinc/12/27/14/456122714.db2.gz IIOZCJBRDZEFDP-RTBURBONSA-N 2 2 327.472 3.122 10 30 EGEELP C[N@H+]1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000289357902 456122721 /nfs/dbraw/zinc/12/27/21/456122721.db2.gz IIOZCJBRDZEFDP-RTBURBONSA-N 2 2 327.472 3.122 10 30 EGEELP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000356111077 457455173 /nfs/dbraw/zinc/45/51/73/457455173.db2.gz NLGMKRCCQAXTOO-OAHLLOKOSA-N 2 2 337.389 3.495 10 30 EGEELP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000356111077 457455183 /nfs/dbraw/zinc/45/51/83/457455183.db2.gz NLGMKRCCQAXTOO-OAHLLOKOSA-N 2 2 337.389 3.495 10 30 EGEELP C=CCn1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nn1 ZINC000424297299 458608414 /nfs/dbraw/zinc/60/84/14/458608414.db2.gz QCNYTINCZLFSNO-UHFFFAOYSA-N 2 2 333.524 3.233 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594495715 459060679 /nfs/dbraw/zinc/06/06/79/459060679.db2.gz ULQRXBNCGLIVAP-IBGZPJMESA-N 2 2 328.456 3.091 10 30 EGEELP C[NH+](C)[C@@H]1CCc2ccccc2N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000598940820 460096072 /nfs/dbraw/zinc/09/60/72/460096072.db2.gz AEDYSVFGKWNGPM-GOSISDBHSA-N 2 2 345.450 3.089 10 30 EGEELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000589820970 460142272 /nfs/dbraw/zinc/14/22/72/460142272.db2.gz ITOPLKXAFJGFKA-HNNXBMFYSA-N 2 2 338.430 3.408 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000599663174 460302154 /nfs/dbraw/zinc/30/21/54/460302154.db2.gz CYCMXAAFERBOPR-UHFFFAOYSA-N 2 2 333.520 3.427 10 30 EGEELP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883237261 1302326200 /nfs/dbraw/zinc/32/62/00/1302326200.db2.gz WUUOQWBAJNOGFP-RTWAWAEBSA-N 2 2 328.500 3.407 10 30 EGEELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739596 1327692954 /nfs/dbraw/zinc/69/29/54/1327692954.db2.gz VWGYEBGBJZGGEZ-APWZRJJASA-N 2 2 327.472 3.427 10 30 EGEELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739596 1327692961 /nfs/dbraw/zinc/69/29/61/1327692961.db2.gz VWGYEBGBJZGGEZ-APWZRJJASA-N 2 2 327.472 3.427 10 30 EGEELP C=CC1(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000932577935 1329824591 /nfs/dbraw/zinc/82/45/91/1329824591.db2.gz TUQJOSINKSZVGT-IBGZPJMESA-N 2 2 347.547 3.140 10 30 EGEELP C=CC1(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000932577935 1329824593 /nfs/dbraw/zinc/82/45/93/1329824593.db2.gz TUQJOSINKSZVGT-IBGZPJMESA-N 2 2 347.547 3.140 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323228269 1387314415 /nfs/dbraw/zinc/31/44/15/1387314415.db2.gz WWASISWMBBUHTC-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001323228269 1387314416 /nfs/dbraw/zinc/31/44/16/1387314416.db2.gz WWASISWMBBUHTC-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323709245 1387427550 /nfs/dbraw/zinc/42/75/50/1387427550.db2.gz XYMYZAYTFJNACX-QZTJIDSGSA-N 2 2 344.503 3.230 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323709245 1387427553 /nfs/dbraw/zinc/42/75/53/1387427553.db2.gz XYMYZAYTFJNACX-QZTJIDSGSA-N 2 2 344.503 3.230 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323709245 1387427557 /nfs/dbraw/zinc/42/75/57/1387427557.db2.gz XYMYZAYTFJNACX-QZTJIDSGSA-N 2 2 344.503 3.230 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323709245 1387427559 /nfs/dbraw/zinc/42/75/59/1387427559.db2.gz XYMYZAYTFJNACX-QZTJIDSGSA-N 2 2 344.503 3.230 10 30 EGEELP C=CCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001324484846 1387643796 /nfs/dbraw/zinc/64/37/96/1387643796.db2.gz XQVWXNCSQAQQQI-SFHVURJKSA-N 2 2 329.488 3.461 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001197377178 1368800975 /nfs/dbraw/zinc/80/09/75/1368800975.db2.gz KMPRZMFAZAYXDS-AWEZNQCLSA-N 2 2 326.831 3.317 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001197377178 1368800982 /nfs/dbraw/zinc/80/09/82/1368800982.db2.gz KMPRZMFAZAYXDS-AWEZNQCLSA-N 2 2 326.831 3.317 10 30 EGEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001282726403 1378580421 /nfs/dbraw/zinc/58/04/21/1378580421.db2.gz VAQBNFJHRLEZHP-INIZCTEOSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202151 1384979250 /nfs/dbraw/zinc/97/92/50/1384979250.db2.gz FHKKCAOARLDPRC-QZTJIDSGSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202151 1384979252 /nfs/dbraw/zinc/97/92/52/1384979252.db2.gz FHKKCAOARLDPRC-QZTJIDSGSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 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CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352871762 456378748 /nfs/dbraw/zinc/37/87/48/456378748.db2.gz PJBSEQNWFOAYSE-KRWDZBQOSA-N 2 2 340.496 3.405 10 30 EGEELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352871762 456378752 /nfs/dbraw/zinc/37/87/52/456378752.db2.gz PJBSEQNWFOAYSE-KRWDZBQOSA-N 2 2 340.496 3.405 10 30 EGEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350563595 457188192 /nfs/dbraw/zinc/18/81/92/457188192.db2.gz ZOMOVSSTFQIFOA-NYLDSWQDSA-N 2 2 341.499 3.091 10 30 EGEELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350563595 457188196 /nfs/dbraw/zinc/18/81/96/457188196.db2.gz ZOMOVSSTFQIFOA-NYLDSWQDSA-N 2 2 341.499 3.091 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000356124730 457468160 /nfs/dbraw/zinc/46/81/60/457468160.db2.gz PZFQNKQQHAHOOF-SWLSCSKDSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000356124730 457468162 /nfs/dbraw/zinc/46/81/62/457468162.db2.gz PZFQNKQQHAHOOF-SWLSCSKDSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124730 457468166 /nfs/dbraw/zinc/46/81/66/457468166.db2.gz PZFQNKQQHAHOOF-SWLSCSKDSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124730 457468169 /nfs/dbraw/zinc/46/81/69/457468169.db2.gz PZFQNKQQHAHOOF-SWLSCSKDSA-N 2 2 325.378 3.492 10 30 EGEELP COCCCCc1ccc[nH+]c1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000361008717 457508592 /nfs/dbraw/zinc/50/85/92/457508592.db2.gz HAROXVPIKRYOJV-UHFFFAOYSA-N 2 2 335.411 3.182 10 30 EGEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423104691 458429996 /nfs/dbraw/zinc/42/99/96/458429996.db2.gz YLMSGQZTPCOWQY-MDNKFWRPSA-N 2 2 330.472 3.059 10 30 EGEELP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373487084 458508068 /nfs/dbraw/zinc/50/80/68/458508068.db2.gz UVLXWLCTCLZWIX-WHPGWMBPSA-N 2 2 329.410 3.464 10 30 EGEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000596648368 459714059 /nfs/dbraw/zinc/71/40/59/459714059.db2.gz AFFCSJOUPXEWIN-BVSLBCMMSA-N 2 2 347.462 3.289 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000922730164 1322605130 /nfs/dbraw/zinc/60/51/30/1322605130.db2.gz JJXYNIOCHRLOGR-DOTOQJQBSA-N 2 2 337.389 3.311 10 30 EGEELP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000922839963 1322630642 /nfs/dbraw/zinc/63/06/42/1322630642.db2.gz VWLDAZZGMIIDHA-KXBFYZLASA-N 2 2 329.513 3.396 10 30 EGEELP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745224 1331176798 /nfs/dbraw/zinc/17/67/98/1331176798.db2.gz OVUDWZBOIDDGBG-KRWDZBQOSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745224 1331176802 /nfs/dbraw/zinc/17/68/02/1331176802.db2.gz OVUDWZBOIDDGBG-KRWDZBQOSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282663191 1378532141 /nfs/dbraw/zinc/53/21/41/1378532141.db2.gz AELIYGCODASWSA-GOSISDBHSA-N 2 2 346.519 3.254 10 30 EGEELP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282663191 1378532143 /nfs/dbraw/zinc/53/21/43/1378532143.db2.gz AELIYGCODASWSA-GOSISDBHSA-N 2 2 346.519 3.254 10 30 EGEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327994760 1388640823 /nfs/dbraw/zinc/64/08/23/1388640823.db2.gz ABEIUADMUMLRBU-KRWDZBQOSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+]CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001318897653 1385873818 /nfs/dbraw/zinc/87/38/18/1385873818.db2.gz MIKQGRZYJSGVCG-UHFFFAOYSA-N 2 2 340.471 3.132 10 30 EGEELP C=C(C)C[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001698660909 1406311433 /nfs/dbraw/zinc/31/14/33/1406311433.db2.gz NRLFCRKKHWRAGB-OXQOHEQNSA-N 2 2 340.471 3.179 10 30 EGEELP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)N1CC#N ZINC001334383196 1390528961 /nfs/dbraw/zinc/52/89/61/1390528961.db2.gz GCFKSUOYQQPSQI-RTBURBONSA-N 2 2 342.531 3.063 10 30 EGEELP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)N1CC#N ZINC001334383196 1390528962 /nfs/dbraw/zinc/52/89/62/1390528962.db2.gz GCFKSUOYQQPSQI-RTBURBONSA-N 2 2 342.531 3.063 10 30 EGEELP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482452158 1395010487 /nfs/dbraw/zinc/01/04/87/1395010487.db2.gz GKLRTWRMUZVGSS-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690215398 1404423555 /nfs/dbraw/zinc/42/35/55/1404423555.db2.gz NTFVBBAFXKZVGJ-CALCHBBNSA-N 2 2 346.519 3.333 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001690215398 1404423558 /nfs/dbraw/zinc/42/35/58/1404423558.db2.gz NTFVBBAFXKZVGJ-CALCHBBNSA-N 2 2 346.519 3.333 10 30 EGEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691852105 1405568396 /nfs/dbraw/zinc/56/83/96/1405568396.db2.gz AJRZZKKVRIFSEM-GOSISDBHSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691852105 1405568399 /nfs/dbraw/zinc/56/83/99/1405568399.db2.gz AJRZZKKVRIFSEM-GOSISDBHSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968264 1405683660 /nfs/dbraw/zinc/68/36/60/1405683660.db2.gz FXMYRMYGEUUDPR-SJORKVTESA-N 2 2 340.471 3.083 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968264 1405683664 /nfs/dbraw/zinc/68/36/64/1405683664.db2.gz FXMYRMYGEUUDPR-SJORKVTESA-N 2 2 340.471 3.083 10 30 EGEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001699606358 1412970311 /nfs/dbraw/zinc/97/03/11/1412970311.db2.gz RAECYEPEAUHCFY-ROUUACIJSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700292775 1413748274 /nfs/dbraw/zinc/74/82/74/1413748274.db2.gz NTWQMOVVTHCQFS-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700292775 1413748278 /nfs/dbraw/zinc/74/82/78/1413748278.db2.gz NTWQMOVVTHCQFS-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700696920 1414354818 /nfs/dbraw/zinc/35/48/18/1414354818.db2.gz QABKUUFMJJPZOB-DLBZAZTESA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700696920 1414354825 /nfs/dbraw/zinc/35/48/25/1414354825.db2.gz QABKUUFMJJPZOB-DLBZAZTESA-N 2 2 332.492 3.112 10 30 EGEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714214362 1419012690 /nfs/dbraw/zinc/01/26/90/1419012690.db2.gz NDFSLCMTDCNAMT-OALUTQOASA-N 2 2 346.519 3.265 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714401746 1419144477 /nfs/dbraw/zinc/14/44/77/1419144477.db2.gz QOSJTSXANKNUBN-QZTJIDSGSA-N 2 2 340.471 3.240 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001714915744 1419666658 /nfs/dbraw/zinc/66/66/58/1419666658.db2.gz YOODRNSUTJCMMY-ZWKOTPCHSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001714915744 1419666659 /nfs/dbraw/zinc/66/66/59/1419666659.db2.gz YOODRNSUTJCMMY-ZWKOTPCHSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715185885 1419918626 /nfs/dbraw/zinc/91/86/26/1419918626.db2.gz IAEVFNJIKILASS-OAHLLOKOSA-N 2 2 346.862 3.290 10 30 EGEELP CC#CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001715399466 1420097644 /nfs/dbraw/zinc/09/76/44/1420097644.db2.gz GVVIKMIISLSMOO-IBGZPJMESA-N 2 2 341.499 3.298 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716866594 1420995494 /nfs/dbraw/zinc/99/54/94/1420995494.db2.gz FVOKWLUSZDWELU-MGPUTAFESA-N 2 2 340.471 3.359 10 30 EGEELP CC[NH+](CC)CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459310571 267057257 /nfs/dbraw/zinc/05/72/57/267057257.db2.gz WLMYXXWYLAPZBO-UHFFFAOYSA-N 2 2 330.432 3.020 10 30 EGEELP CC1CC[NH+]([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600716581 460576359 /nfs/dbraw/zinc/57/63/59/460576359.db2.gz YYKKEIUNWGZWSQ-IAGOWNOFSA-N 2 2 347.528 3.165 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000344269865 456812887 /nfs/dbraw/zinc/81/28/87/456812887.db2.gz CXTSBCLKWADMAC-UHFFFAOYSA-N 2 2 328.485 3.335 10 30 EGEELP CC(C)C[C@@H](C[NH+](C)C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181688148 528291776 /nfs/dbraw/zinc/29/17/76/528291776.db2.gz PHPFGCJUIVFIOK-NRFANRHFSA-N 2 2 342.531 3.089 10 30 EGEELP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925440450 1325150568 /nfs/dbraw/zinc/15/05/68/1325150568.db2.gz RTVBWEIZGDRCCA-JTDSTZFVSA-N 2 2 345.487 3.194 10 30 EGEELP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925440450 1325150570 /nfs/dbraw/zinc/15/05/70/1325150570.db2.gz RTVBWEIZGDRCCA-JTDSTZFVSA-N 2 2 345.487 3.194 10 30 EGEELP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001327239313 1388457994 /nfs/dbraw/zinc/45/79/94/1388457994.db2.gz LZBUCBQVOPBUJM-UHFFFAOYSA-N 2 2 340.471 3.232 10 30 EGEELP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001327239313 1388457999 /nfs/dbraw/zinc/45/79/99/1388457999.db2.gz LZBUCBQVOPBUJM-UHFFFAOYSA-N 2 2 340.471 3.232 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319069652 1385951836 /nfs/dbraw/zinc/95/18/36/1385951836.db2.gz FUDDNYGZEVFKMQ-CRAIPNDOSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329875399 1389241613 /nfs/dbraw/zinc/24/16/13/1389241613.db2.gz JFGUVOIWDLASCR-QGZVFWFLSA-N 2 2 328.460 3.097 10 30 EGEELP C=C(C)CC[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001698722881 1406370137 /nfs/dbraw/zinc/37/01/37/1406370137.db2.gz LTZHQPPZMFRITM-UHFFFAOYSA-N 2 2 340.471 3.361 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001330476923 1389426233 /nfs/dbraw/zinc/42/62/33/1389426233.db2.gz XQXCGIMQRJPEDS-IPMKNSEASA-N 2 2 346.519 3.070 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001330476923 1389426238 /nfs/dbraw/zinc/42/62/38/1389426238.db2.gz XQXCGIMQRJPEDS-IPMKNSEASA-N 2 2 346.519 3.070 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480696535 1392860204 /nfs/dbraw/zinc/86/02/04/1392860204.db2.gz XBXPWXYEIWZKIL-CVEARBPZSA-N 2 2 326.444 3.160 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110137 1394431157 /nfs/dbraw/zinc/43/11/57/1394431157.db2.gz FIDDGVKERMOKFK-CVEARBPZSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110137 1394431159 /nfs/dbraw/zinc/43/11/59/1394431159.db2.gz FIDDGVKERMOKFK-CVEARBPZSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001503763491 1396268092 /nfs/dbraw/zinc/26/80/92/1396268092.db2.gz CKEGEEKLVCWEHK-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001690536281 1404625224 /nfs/dbraw/zinc/62/52/24/1404625224.db2.gz YIAVFUNDENUWOL-ZLPCBKJTSA-N 2 2 346.519 3.298 10 30 EGEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001699939665 1413382687 /nfs/dbraw/zinc/38/26/87/1413382687.db2.gz VRVSUXOALOHBNL-WMZOPIPTSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700070644 1413485535 /nfs/dbraw/zinc/48/55/35/1413485535.db2.gz RVQLHVVQXDGPEV-IAGOWNOFSA-N 2 2 340.471 3.131 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001700321135 1413787529 /nfs/dbraw/zinc/78/75/29/1413787529.db2.gz XCRSJTFARHOWDZ-NVXWUHKLSA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001700321135 1413787541 /nfs/dbraw/zinc/78/75/41/1413787541.db2.gz XCRSJTFARHOWDZ-NVXWUHKLSA-N 2 2 334.508 3.200 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712998347 1417549931 /nfs/dbraw/zinc/54/99/31/1417549931.db2.gz FZLLCXZRDRJWNW-IRXDYDNUSA-N 2 2 340.471 3.273 10 30 EGEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714439930 1419171749 /nfs/dbraw/zinc/17/17/49/1419171749.db2.gz BVHKQLYXKCPXPW-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714439930 1419171751 /nfs/dbraw/zinc/17/17/51/1419171751.db2.gz BVHKQLYXKCPXPW-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715389135 1420086239 /nfs/dbraw/zinc/08/62/39/1420086239.db2.gz RZNQNTADBCWDMS-SFHVURJKSA-N 2 2 342.487 3.343 10 30 EGEELP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001715483932 1420163259 /nfs/dbraw/zinc/16/32/59/1420163259.db2.gz WQFHOSFBLGPVTJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001715483932 1420163263 /nfs/dbraw/zinc/16/32/63/1420163263.db2.gz WQFHOSFBLGPVTJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001715483932 1420163265 /nfs/dbraw/zinc/16/32/65/1420163265.db2.gz WQFHOSFBLGPVTJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001715483932 1420163269 /nfs/dbraw/zinc/16/32/69/1420163269.db2.gz WQFHOSFBLGPVTJ-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001716752008 1420903672 /nfs/dbraw/zinc/90/36/72/1420903672.db2.gz HKSAFHRQFDNGDH-XLIONFOSSA-N 2 2 343.515 3.177 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716752008 1420903673 /nfs/dbraw/zinc/90/36/73/1420903673.db2.gz HKSAFHRQFDNGDH-XLIONFOSSA-N 2 2 343.515 3.177 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032781 1421086347 /nfs/dbraw/zinc/08/63/47/1421086347.db2.gz QPIVSXPVFSHEHG-MOPGFXCFSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032781 1421086348 /nfs/dbraw/zinc/08/63/48/1421086348.db2.gz QPIVSXPVFSHEHG-MOPGFXCFSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717356365 1421291576 /nfs/dbraw/zinc/29/15/76/1421291576.db2.gz VUKABSBJWMHNNF-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717356365 1421291577 /nfs/dbraw/zinc/29/15/77/1421291577.db2.gz VUKABSBJWMHNNF-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717356365 1421291579 /nfs/dbraw/zinc/29/15/79/1421291579.db2.gz VUKABSBJWMHNNF-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717356365 1421291582 /nfs/dbraw/zinc/29/15/82/1421291582.db2.gz VUKABSBJWMHNNF-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001733410819 1429610269 /nfs/dbraw/zinc/61/02/69/1429610269.db2.gz VEIQDXAGWAMBDO-FQEVSTJZSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001733410819 1429610276 /nfs/dbraw/zinc/61/02/76/1429610276.db2.gz VEIQDXAGWAMBDO-FQEVSTJZSA-N 2 2 338.455 3.033 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724320968 1424805003 /nfs/dbraw/zinc/80/50/03/1424805003.db2.gz FCQLCDXHDCRALP-FQEVSTJZSA-N 2 2 340.471 3.051 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724320968 1424805008 /nfs/dbraw/zinc/80/50/08/1424805008.db2.gz FCQLCDXHDCRALP-FQEVSTJZSA-N 2 2 340.471 3.051 10 30 EGEELP C=C(C)C[NH2+]CC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001725224528 1425792987 /nfs/dbraw/zinc/79/29/87/1425792987.db2.gz UKWAYHVZXAQXRO-GOSISDBHSA-N 2 2 346.519 3.455 10 30 EGEELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840969 285039529 /nfs/dbraw/zinc/03/95/29/285039529.db2.gz PUKYKNDNGMAHIN-ICSRJNTNSA-N 2 2 327.472 3.026 10 30 EGEELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840969 285039530 /nfs/dbraw/zinc/03/95/30/285039530.db2.gz PUKYKNDNGMAHIN-ICSRJNTNSA-N 2 2 327.472 3.026 10 30 EGEELP CCC[N@H+](C)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739990 460585947 /nfs/dbraw/zinc/58/59/47/460585947.db2.gz GJTIPMHKHCPERH-MSOLQXFVSA-N 2 2 349.906 3.367 10 30 EGEELP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739990 460585953 /nfs/dbraw/zinc/58/59/53/460585953.db2.gz GJTIPMHKHCPERH-MSOLQXFVSA-N 2 2 349.906 3.367 10 30 EGEELP C[NH+]1CCC(CNc2cccc(F)c2C#N)([NH+]2CCCCC2)CC1 ZINC000078457639 454256354 /nfs/dbraw/zinc/25/63/54/454256354.db2.gz FHRSTXQGRRDDTB-UHFFFAOYSA-N 2 2 330.451 3.060 10 30 EGEELP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644870 454726299 /nfs/dbraw/zinc/72/62/99/454726299.db2.gz MPGWTBNVPHOSAX-WMZOPIPTSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644870 454726303 /nfs/dbraw/zinc/72/63/03/454726303.db2.gz MPGWTBNVPHOSAX-WMZOPIPTSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644870 454726309 /nfs/dbraw/zinc/72/63/09/454726309.db2.gz MPGWTBNVPHOSAX-WMZOPIPTSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644870 454726314 /nfs/dbraw/zinc/72/63/14/454726314.db2.gz MPGWTBNVPHOSAX-WMZOPIPTSA-N 2 2 345.487 3.292 10 30 EGEELP C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647068 455217380 /nfs/dbraw/zinc/21/73/80/455217380.db2.gz WYZMYNIQPHDQSY-HNNXBMFYSA-N 2 2 345.406 3.033 10 30 EGEELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168227 457105821 /nfs/dbraw/zinc/10/58/21/457105821.db2.gz WHVSVMZWJXUFHM-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168227 457105826 /nfs/dbraw/zinc/10/58/26/457105826.db2.gz WHVSVMZWJXUFHM-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168227 457105832 /nfs/dbraw/zinc/10/58/32/457105832.db2.gz WHVSVMZWJXUFHM-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168227 457105836 /nfs/dbraw/zinc/10/58/36/457105836.db2.gz WHVSVMZWJXUFHM-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000518783958 458893662 /nfs/dbraw/zinc/89/36/62/458893662.db2.gz IMRQWTMJLXNDRS-ROUUACIJSA-N 2 2 340.515 3.380 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592103824 459524482 /nfs/dbraw/zinc/52/44/82/459524482.db2.gz LSRNQVHGBJAYFV-LFUKPOHLSA-N 2 2 334.467 3.199 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592103824 459524487 /nfs/dbraw/zinc/52/44/87/459524487.db2.gz LSRNQVHGBJAYFV-LFUKPOHLSA-N 2 2 334.467 3.199 10 30 EGEELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047274 459901659 /nfs/dbraw/zinc/90/16/59/459901659.db2.gz LOEODMJQMXOYFR-QFIPXVFZSA-N 2 2 349.478 3.016 10 30 EGEELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047274 459901663 /nfs/dbraw/zinc/90/16/63/459901663.db2.gz LOEODMJQMXOYFR-QFIPXVFZSA-N 2 2 349.478 3.016 10 30 EGEELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047274 459901669 /nfs/dbraw/zinc/90/16/69/459901669.db2.gz LOEODMJQMXOYFR-QFIPXVFZSA-N 2 2 349.478 3.016 10 30 EGEELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047274 459901675 /nfs/dbraw/zinc/90/16/75/459901675.db2.gz LOEODMJQMXOYFR-QFIPXVFZSA-N 2 2 349.478 3.016 10 30 EGEELP CC(C)C[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593645267 459940346 /nfs/dbraw/zinc/94/03/46/459940346.db2.gz HGJADXNVOXSDOP-UHFFFAOYSA-N 3 2 342.531 3.090 10 30 EGEELP CC(C)C[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593645267 459940353 /nfs/dbraw/zinc/94/03/53/459940353.db2.gz HGJADXNVOXSDOP-UHFFFAOYSA-N 3 2 342.531 3.090 10 30 EGEELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000609433221 459961425 /nfs/dbraw/zinc/96/14/25/459961425.db2.gz KRJAYGHNZUXLJR-HXUWFJFHSA-N 2 2 335.451 3.321 10 30 EGEELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000609433221 459961430 /nfs/dbraw/zinc/96/14/30/459961430.db2.gz KRJAYGHNZUXLJR-HXUWFJFHSA-N 2 2 335.451 3.321 10 30 EGEELP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000611438601 460365795 /nfs/dbraw/zinc/36/57/95/460365795.db2.gz DRBJQONZVXDBKH-QGZVFWFLSA-N 2 2 334.467 3.311 10 30 EGEELP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000700717753 1298177955 /nfs/dbraw/zinc/17/79/55/1298177955.db2.gz FVFGVTXPPKBGGL-SZPZYZBQSA-N 2 2 331.463 3.431 10 30 EGEELP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000700717753 1298177961 /nfs/dbraw/zinc/17/79/61/1298177961.db2.gz FVFGVTXPPKBGGL-SZPZYZBQSA-N 2 2 331.463 3.431 10 30 EGEELP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000700717753 1298177966 /nfs/dbraw/zinc/17/79/66/1298177966.db2.gz FVFGVTXPPKBGGL-SZPZYZBQSA-N 2 2 331.463 3.431 10 30 EGEELP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000700717753 1298177971 /nfs/dbraw/zinc/17/79/71/1298177971.db2.gz FVFGVTXPPKBGGL-SZPZYZBQSA-N 2 2 331.463 3.431 10 30 EGEELP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351058 1330100504 /nfs/dbraw/zinc/10/05/04/1330100504.db2.gz GQZRTYFVUNDEJX-FUHWJXTLSA-N 2 2 335.451 3.437 10 30 EGEELP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351058 1330100505 /nfs/dbraw/zinc/10/05/05/1330100505.db2.gz GQZRTYFVUNDEJX-FUHWJXTLSA-N 2 2 335.451 3.437 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886464 1331237084 /nfs/dbraw/zinc/23/70/84/1331237084.db2.gz PDVSINTUZYTVSJ-KRWDZBQOSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886464 1331237094 /nfs/dbraw/zinc/23/70/94/1331237094.db2.gz PDVSINTUZYTVSJ-KRWDZBQOSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001326316195 1388150940 /nfs/dbraw/zinc/15/09/40/1388150940.db2.gz GOAXSZHFCGVSMA-GOSISDBHSA-N 2 2 329.488 3.415 10 30 EGEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001328577600 1388779966 /nfs/dbraw/zinc/77/99/66/1388779966.db2.gz IKJQXDOFPCNCBO-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001328577600 1388779969 /nfs/dbraw/zinc/77/99/69/1388779969.db2.gz IKJQXDOFPCNCBO-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001328577600 1388779971 /nfs/dbraw/zinc/77/99/71/1388779971.db2.gz IKJQXDOFPCNCBO-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001328577600 1388779973 /nfs/dbraw/zinc/77/99/73/1388779973.db2.gz IKJQXDOFPCNCBO-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001318646001 1385814140 /nfs/dbraw/zinc/81/41/40/1385814140.db2.gz IUNIZKFUFYDREN-INIZCTEOSA-N 2 2 340.471 3.321 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001319658245 1386237984 /nfs/dbraw/zinc/23/79/84/1386237984.db2.gz WSLSWTSFDJFBEJ-KURKYZTESA-N 2 2 344.503 3.134 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001319658245 1386237986 /nfs/dbraw/zinc/23/79/86/1386237986.db2.gz WSLSWTSFDJFBEJ-KURKYZTESA-N 2 2 344.503 3.134 10 30 EGEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698674352 1406322670 /nfs/dbraw/zinc/32/26/70/1406322670.db2.gz QPHXSCQRCSQNNR-AWEZNQCLSA-N 2 2 346.862 3.147 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001332389218 1390103386 /nfs/dbraw/zinc/10/33/86/1390103386.db2.gz XAFRDIIHINCVAB-RDJZCZTQSA-N 2 2 346.519 3.108 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383400 1392727777 /nfs/dbraw/zinc/72/77/77/1392727777.db2.gz PUIGGGBFWUNPDO-MSOLQXFVSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383400 1392727778 /nfs/dbraw/zinc/72/77/78/1392727778.db2.gz PUIGGGBFWUNPDO-MSOLQXFVSA-N 2 2 346.519 3.110 10 30 EGEELP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001484398619 1395368969 /nfs/dbraw/zinc/36/89/69/1395368969.db2.gz FTWJTMJIOHPRDW-UHFFFAOYSA-N 2 2 349.478 3.262 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498485218 1397030870 /nfs/dbraw/zinc/03/08/70/1397030870.db2.gz LSOFUGVOYWXECS-HOCLYGCPSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498489054 1397033109 /nfs/dbraw/zinc/03/31/09/1397033109.db2.gz VKALCWRGKIUZAT-QZTJIDSGSA-N 2 2 346.519 3.157 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732542569 1428692679 /nfs/dbraw/zinc/69/26/79/1428692679.db2.gz UZAZJDFPSVUXAD-SJLPKXTDSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001700316849 1413776156 /nfs/dbraw/zinc/77/61/56/1413776156.db2.gz ZMIDHZYBRJSMCO-ZBFHGGJFSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001700316849 1413776159 /nfs/dbraw/zinc/77/61/59/1413776159.db2.gz ZMIDHZYBRJSMCO-ZBFHGGJFSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001715215954 1419947873 /nfs/dbraw/zinc/94/78/73/1419947873.db2.gz DTBCIEAXXOYYND-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001715215954 1419947875 /nfs/dbraw/zinc/94/78/75/1419947875.db2.gz DTBCIEAXXOYYND-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001715215954 1419947877 /nfs/dbraw/zinc/94/78/77/1419947877.db2.gz DTBCIEAXXOYYND-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001715215954 1419947879 /nfs/dbraw/zinc/94/78/79/1419947879.db2.gz DTBCIEAXXOYYND-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715388887 1420085857 /nfs/dbraw/zinc/08/58/57/1420085857.db2.gz VEYQASBMVCUPMF-INIZCTEOSA-N 2 2 328.460 3.263 10 30 EGEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001716888680 1421012291 /nfs/dbraw/zinc/01/22/91/1421012291.db2.gz ZJDZVFLMAYAVIY-KRWDZBQOSA-N 2 2 332.492 3.019 10 30 EGEELP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717005569 1421074139 /nfs/dbraw/zinc/07/41/39/1421074139.db2.gz GMEMFGJDQSNXGK-UHFFFAOYSA-N 2 2 348.450 3.371 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034047 1421087706 /nfs/dbraw/zinc/08/77/06/1421087706.db2.gz YUBHSPKRILGPNN-RTBURBONSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034047 1421087707 /nfs/dbraw/zinc/08/77/07/1421087707.db2.gz YUBHSPKRILGPNN-RTBURBONSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034047 1421087709 /nfs/dbraw/zinc/08/77/09/1421087709.db2.gz YUBHSPKRILGPNN-RTBURBONSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034047 1421087712 /nfs/dbraw/zinc/08/77/12/1421087712.db2.gz YUBHSPKRILGPNN-RTBURBONSA-N 2 2 346.519 3.378 10 30 EGEELP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[NH+](C)C)cc1 ZINC000600740909 460586814 /nfs/dbraw/zinc/58/68/14/460586814.db2.gz LAABZIXNEGXHLR-WOJBJXKFSA-N 2 2 343.515 3.132 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000190465538 455324484 /nfs/dbraw/zinc/32/44/84/455324484.db2.gz FOKUQMODZQTMNF-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000190465538 455324487 /nfs/dbraw/zinc/32/44/87/455324487.db2.gz FOKUQMODZQTMNF-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000190465538 455324492 /nfs/dbraw/zinc/32/44/92/455324492.db2.gz FOKUQMODZQTMNF-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000190465538 455324494 /nfs/dbraw/zinc/32/44/94/455324494.db2.gz FOKUQMODZQTMNF-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C(F)(F)F)CC3)CC2)cc1 ZINC000353986009 456990413 /nfs/dbraw/zinc/99/04/13/456990413.db2.gz GBBOYQSJWIIMAZ-UHFFFAOYSA-N 2 2 337.389 3.455 10 30 EGEELP C(#CC[N@@H+]1CCC[C@@H]1c1cccnc1)C[NH+]1CCC[C@@H]1c1cccnc1 ZINC000346979436 457193739 /nfs/dbraw/zinc/19/37/39/457193739.db2.gz LLJQGJJVHSQYHU-FGZHOGPDSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@@H]1c1cccnc1)C[NH+]1CCC[C@@H]1c1cccnc1 ZINC000346979436 457193746 /nfs/dbraw/zinc/19/37/46/457193746.db2.gz LLJQGJJVHSQYHU-FGZHOGPDSA-N 2 2 346.478 3.454 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111321 459248325 /nfs/dbraw/zinc/24/83/25/459248325.db2.gz OYJYHBXPNRZONF-GCJKJVERSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111321 459248329 /nfs/dbraw/zinc/24/83/29/459248329.db2.gz OYJYHBXPNRZONF-GCJKJVERSA-N 2 2 348.494 3.025 10 30 EGEELP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592120522 459527914 /nfs/dbraw/zinc/52/79/14/459527914.db2.gz FGTGOHKQAQECEG-UHFFFAOYSA-N 2 2 331.423 3.449 10 30 EGEELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)[C@@H]1c1cccs1 ZINC000573731258 459724806 /nfs/dbraw/zinc/72/48/06/459724806.db2.gz DZLREFBFYHAPMM-MLGOLLRUSA-N 2 2 332.498 3.249 10 30 EGEELP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)[C@@H]1c1cccs1 ZINC000573731258 459724812 /nfs/dbraw/zinc/72/48/12/459724812.db2.gz DZLREFBFYHAPMM-MLGOLLRUSA-N 2 2 332.498 3.249 10 30 EGEELP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527806836 459743763 /nfs/dbraw/zinc/74/37/63/459743763.db2.gz FUBCDUSSLSCMFZ-OAQYLSRUSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527806836 459743767 /nfs/dbraw/zinc/74/37/67/459743767.db2.gz FUBCDUSSLSCMFZ-OAQYLSRUSA-N 2 2 338.499 3.134 10 30 EGEELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000589820972 460142465 /nfs/dbraw/zinc/14/24/65/460142465.db2.gz ITOPLKXAFJGFKA-OAHLLOKOSA-N 2 2 338.430 3.408 10 30 EGEELP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000594446398 460223614 /nfs/dbraw/zinc/22/36/14/460223614.db2.gz SITKZWZVVMRLGX-OAHLLOKOSA-N 2 2 339.443 3.112 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619782602 460443164 /nfs/dbraw/zinc/44/31/64/460443164.db2.gz FVEUWBLUKIMZEK-LJQANCHMSA-N 2 2 341.499 3.032 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619782602 460443171 /nfs/dbraw/zinc/44/31/71/460443171.db2.gz FVEUWBLUKIMZEK-LJQANCHMSA-N 2 2 341.499 3.032 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000735309446 575638885 /nfs/dbraw/zinc/63/88/85/575638885.db2.gz OEOHRRPLMDRANU-MRXNPFEDSA-N 2 2 330.819 3.276 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000735309446 575638888 /nfs/dbraw/zinc/63/88/88/575638888.db2.gz OEOHRRPLMDRANU-MRXNPFEDSA-N 2 2 330.819 3.276 10 30 EGEELP CN(C)C(=[NH+]C[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N(C)C ZINC000261983890 1296611991 /nfs/dbraw/zinc/61/19/91/1296611991.db2.gz JHQBDETVNRFBRX-HNNXBMFYSA-N 2 2 340.874 3.095 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809308 1328706828 /nfs/dbraw/zinc/70/68/28/1328706828.db2.gz XJWDVSMVQAHKGQ-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809308 1328706832 /nfs/dbraw/zinc/70/68/32/1328706832.db2.gz XJWDVSMVQAHKGQ-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809308 1328706833 /nfs/dbraw/zinc/70/68/33/1328706833.db2.gz XJWDVSMVQAHKGQ-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809308 1328706836 /nfs/dbraw/zinc/70/68/36/1328706836.db2.gz XJWDVSMVQAHKGQ-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000922839961 1322630486 /nfs/dbraw/zinc/63/04/86/1322630486.db2.gz VWLDAZZGMIIDHA-DNVCBOLYSA-N 2 2 329.513 3.396 10 30 EGEELP C=CCc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926102144 1325426849 /nfs/dbraw/zinc/42/68/49/1325426849.db2.gz YXXFGXCITKZQRL-UHFFFAOYSA-N 2 2 344.503 3.083 10 30 EGEELP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1O ZINC000866239562 1330083773 /nfs/dbraw/zinc/08/37/73/1330083773.db2.gz YHLWNLMSUBWYEB-OAHLLOKOSA-N 2 2 339.439 3.055 10 30 EGEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657782 1377465158 /nfs/dbraw/zinc/46/51/58/1377465158.db2.gz FAMUIOSKHGRUIK-MOPGFXCFSA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657782 1377465160 /nfs/dbraw/zinc/46/51/60/1377465160.db2.gz FAMUIOSKHGRUIK-MOPGFXCFSA-N 2 2 346.519 3.217 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001284070927 1379432809 /nfs/dbraw/zinc/43/28/09/1379432809.db2.gz KUSPNLGWCBFOEW-QUCCMNQESA-N 2 2 346.519 3.344 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001284070927 1379432813 /nfs/dbraw/zinc/43/28/13/1379432813.db2.gz KUSPNLGWCBFOEW-QUCCMNQESA-N 2 2 346.519 3.344 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479379199 1392229186 /nfs/dbraw/zinc/22/91/86/1392229186.db2.gz GGTBWNMZRQPVEO-IIAWOOMASA-N 2 2 326.444 3.016 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373671 1392716042 /nfs/dbraw/zinc/71/60/42/1392716042.db2.gz RJRPLFMJXYKJDG-OALUTQOASA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373671 1392716044 /nfs/dbraw/zinc/71/60/44/1392716044.db2.gz RJRPLFMJXYKJDG-OALUTQOASA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480693848 1392857737 /nfs/dbraw/zinc/85/77/37/1392857737.db2.gz VLONYQRNEPSESH-ZWKOTPCHSA-N 2 2 340.471 3.240 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001490623765 1394286665 /nfs/dbraw/zinc/28/66/65/1394286665.db2.gz VAHDEKYWGUIVBO-INIZCTEOSA-N 2 2 346.519 3.318 10 30 EGEELP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484532716 1395418451 /nfs/dbraw/zinc/41/84/51/1395418451.db2.gz PTITUJOXCGRABS-SFHVURJKSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498487199 1397032062 /nfs/dbraw/zinc/03/20/62/1397032062.db2.gz QJEDHIIVGXMGIG-DOTOQJQBSA-N 2 2 340.471 3.407 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819143 1405534957 /nfs/dbraw/zinc/53/49/57/1405534957.db2.gz QOQTYPGKFQFEGY-IRXDYDNUSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819143 1405534960 /nfs/dbraw/zinc/53/49/60/1405534960.db2.gz QOQTYPGKFQFEGY-IRXDYDNUSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819143 1405534963 /nfs/dbraw/zinc/53/49/63/1405534963.db2.gz QOQTYPGKFQFEGY-IRXDYDNUSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819143 1405534965 /nfs/dbraw/zinc/53/49/65/1405534965.db2.gz QOQTYPGKFQFEGY-IRXDYDNUSA-N 2 2 346.519 3.161 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001692205554 1405842991 /nfs/dbraw/zinc/84/29/91/1405842991.db2.gz LATQAAMSAHYNFB-TVFCKZIOSA-N 2 2 346.519 3.073 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001692205554 1405842995 /nfs/dbraw/zinc/84/29/95/1405842995.db2.gz LATQAAMSAHYNFB-TVFCKZIOSA-N 2 2 346.519 3.073 10 30 EGEELP C=C(C)C[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001732019483 1428236190 /nfs/dbraw/zinc/23/61/90/1428236190.db2.gz JFWIFHFHXIWLJE-LJQANCHMSA-N 2 2 348.450 3.280 10 30 EGEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001732310251 1428523762 /nfs/dbraw/zinc/52/37/62/1428523762.db2.gz LAGBKRPTBUVQSA-KZNAEPCWSA-N 2 2 332.492 3.063 10 30 EGEELP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001732329972 1428536506 /nfs/dbraw/zinc/53/65/06/1428536506.db2.gz RKSUTXNIJXBRDA-GOSISDBHSA-N 2 2 344.503 3.115 10 30 EGEELP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001732329972 1428536508 /nfs/dbraw/zinc/53/65/08/1428536508.db2.gz RKSUTXNIJXBRDA-GOSISDBHSA-N 2 2 344.503 3.115 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700696921 1414355599 /nfs/dbraw/zinc/35/55/99/1414355599.db2.gz QABKUUFMJJPZOB-IAGOWNOFSA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700696921 1414355604 /nfs/dbraw/zinc/35/56/04/1414355604.db2.gz QABKUUFMJJPZOB-IAGOWNOFSA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713351143 1417969875 /nfs/dbraw/zinc/96/98/75/1417969875.db2.gz YODBQQRKEYNUDH-QAPCUYQASA-N 2 2 329.488 3.413 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714005409 1418785032 /nfs/dbraw/zinc/78/50/32/1418785032.db2.gz FQABLQLVSPAHPU-BRWVUGGUSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714005409 1418785034 /nfs/dbraw/zinc/78/50/34/1418785034.db2.gz FQABLQLVSPAHPU-BRWVUGGUSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714005409 1418785037 /nfs/dbraw/zinc/78/50/37/1418785037.db2.gz FQABLQLVSPAHPU-BRWVUGGUSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714005409 1418785038 /nfs/dbraw/zinc/78/50/38/1418785038.db2.gz FQABLQLVSPAHPU-BRWVUGGUSA-N 2 2 332.492 3.016 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035806 1419771123 /nfs/dbraw/zinc/77/11/23/1419771123.db2.gz ATNLRBRXWDRWEA-MOPGFXCFSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035806 1419771124 /nfs/dbraw/zinc/77/11/24/1419771124.db2.gz ATNLRBRXWDRWEA-MOPGFXCFSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001715171990 1419909310 /nfs/dbraw/zinc/90/93/10/1419909310.db2.gz RDSBHOMFNQXYQZ-UHFFFAOYSA-N 2 2 340.471 3.361 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001717033343 1421087175 /nfs/dbraw/zinc/08/71/75/1421087175.db2.gz TUSSOGSNRJUJIN-GUDVDZBRSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001717033343 1421087176 /nfs/dbraw/zinc/08/71/76/1421087176.db2.gz TUSSOGSNRJUJIN-GUDVDZBRSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001733806508 1430077668 /nfs/dbraw/zinc/07/76/68/1430077668.db2.gz PCGAIHFNCLNAFR-QGZVFWFLSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001734010851 1437802384 /nfs/dbraw/zinc/80/23/84/1437802384.db2.gz SZTPFKWCLXDDMJ-CTWPCTMYSA-N 2 2 346.519 3.406 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734332631 1438055401 /nfs/dbraw/zinc/05/54/01/1438055401.db2.gz ATEDGRXGXGFUBL-IRXDYDNUSA-N 2 2 340.471 3.277 10 30 EGEELP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750947001 1440119400 /nfs/dbraw/zinc/11/94/00/1440119400.db2.gz PCDGBQLNVDASFF-ZWKOTPCHSA-N 2 2 346.519 3.263 10 30 EGEELP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750947001 1440119401 /nfs/dbraw/zinc/11/94/01/1440119401.db2.gz PCDGBQLNVDASFF-ZWKOTPCHSA-N 2 2 346.519 3.263 10 30 EGEELP N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000390646020 324283622 /nfs/dbraw/zinc/28/36/22/324283622.db2.gz IKFSDCXTHHOMIV-ZNXRZULTSA-N 2 2 338.480 3.300 10 30 EGEELP N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000390646020 324283628 /nfs/dbraw/zinc/28/36/28/324283628.db2.gz IKFSDCXTHHOMIV-ZNXRZULTSA-N 2 2 338.480 3.300 10 30 EGEELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CCO1 ZINC000178532090 454960471 /nfs/dbraw/zinc/96/04/71/454960471.db2.gz FSSWVKBQPZXTIK-QGZVFWFLSA-N 2 2 341.499 3.173 10 30 EGEELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CCO1 ZINC000178532090 454960475 /nfs/dbraw/zinc/96/04/75/454960475.db2.gz FSSWVKBQPZXTIK-QGZVFWFLSA-N 2 2 341.499 3.173 10 30 EGEELP C=CCc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc(OC)c1O ZINC000180125046 455136095 /nfs/dbraw/zinc/13/60/95/455136095.db2.gz QJPPUPKIEIJALF-SFHVURJKSA-N 2 2 341.455 3.299 10 30 EGEELP C=CCc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc(OC)c1O ZINC000180125046 455136098 /nfs/dbraw/zinc/13/60/98/455136098.db2.gz QJPPUPKIEIJALF-SFHVURJKSA-N 2 2 341.455 3.299 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000190465376 455324146 /nfs/dbraw/zinc/32/41/46/455324146.db2.gz XSXAJIYKLOAMBB-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000190465376 455324151 /nfs/dbraw/zinc/32/41/51/455324151.db2.gz XSXAJIYKLOAMBB-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000190465376 455324158 /nfs/dbraw/zinc/32/41/58/455324158.db2.gz XSXAJIYKLOAMBB-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000190465376 455324161 /nfs/dbraw/zinc/32/41/61/455324161.db2.gz XSXAJIYKLOAMBB-SFHVURJKSA-N 2 2 340.496 3.277 10 30 EGEELP C[N@H+](CC#Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060252 455551293 /nfs/dbraw/zinc/55/12/93/455551293.db2.gz SIJZQIIPFWVPQU-UHFFFAOYSA-N 2 2 333.479 3.072 10 30 EGEELP C[N@@H+](CC#Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060252 455551298 /nfs/dbraw/zinc/55/12/98/455551298.db2.gz SIJZQIIPFWVPQU-UHFFFAOYSA-N 2 2 333.479 3.072 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000195298616 455942110 /nfs/dbraw/zinc/94/21/10/455942110.db2.gz SWUBGAYGROVISZ-HXUWFJFHSA-N 2 2 337.442 3.026 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000195298616 455942114 /nfs/dbraw/zinc/94/21/14/455942114.db2.gz SWUBGAYGROVISZ-HXUWFJFHSA-N 2 2 337.442 3.026 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000195298616 455942117 /nfs/dbraw/zinc/94/21/17/455942117.db2.gz SWUBGAYGROVISZ-HXUWFJFHSA-N 2 2 337.442 3.026 10 30 EGEELP C(#CC[N@@H+]1CCC[C@H]1c1ccncc1)C[NH+]1CCC[C@H]1c1ccncc1 ZINC000276288042 456434991 /nfs/dbraw/zinc/43/49/91/456434991.db2.gz HCYKKVNRWUTPGS-VXKWHMMOSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@H]1c1ccncc1)C[NH+]1CCC[C@H]1c1ccncc1 ZINC000276288042 456434994 /nfs/dbraw/zinc/43/49/94/456434994.db2.gz HCYKKVNRWUTPGS-VXKWHMMOSA-N 2 2 346.478 3.454 10 30 EGEELP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356140253 457480621 /nfs/dbraw/zinc/48/06/21/457480621.db2.gz TXZLKSWMPSCHMZ-OAHLLOKOSA-N 2 2 332.517 3.491 10 30 EGEELP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356140253 457480630 /nfs/dbraw/zinc/48/06/30/457480630.db2.gz TXZLKSWMPSCHMZ-OAHLLOKOSA-N 2 2 332.517 3.491 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000358569921 458083518 /nfs/dbraw/zinc/08/35/18/458083518.db2.gz MRLAJDGLEIMGNS-FTRWYGJKSA-N 2 2 347.478 3.485 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000358569921 458083524 /nfs/dbraw/zinc/08/35/24/458083524.db2.gz MRLAJDGLEIMGNS-FTRWYGJKSA-N 2 2 347.478 3.485 10 30 EGEELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000567645941 459139132 /nfs/dbraw/zinc/13/91/32/459139132.db2.gz KSXBRQFBRFDIOH-OXQOHEQNSA-N 2 2 335.451 3.082 10 30 EGEELP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000594956852 459191936 /nfs/dbraw/zinc/19/19/36/459191936.db2.gz VLADYEKICVEDEJ-KRWDZBQOSA-N 2 2 334.467 3.311 10 30 EGEELP C[C@]1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCS1 ZINC000600178419 460422299 /nfs/dbraw/zinc/42/22/99/460422299.db2.gz XKQUMCWPRLSQKH-LJQANCHMSA-N 2 2 329.513 3.398 10 30 EGEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601965828 460965280 /nfs/dbraw/zinc/96/52/80/460965280.db2.gz ABUCOJKURNLUKU-PMACEKPBSA-N 2 2 343.515 3.322 10 30 EGEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601965828 460965284 /nfs/dbraw/zinc/96/52/84/460965284.db2.gz ABUCOJKURNLUKU-PMACEKPBSA-N 2 2 343.515 3.322 10 30 EGEELP C=CCc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(O)c(OC)c1 ZINC000164494801 1294349174 /nfs/dbraw/zinc/34/91/74/1294349174.db2.gz BYDWKPJEIWSFIZ-GOSISDBHSA-N 2 2 340.423 3.178 10 30 EGEELP C=CCc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(O)c(OC)c1 ZINC000164494801 1294349182 /nfs/dbraw/zinc/34/91/82/1294349182.db2.gz BYDWKPJEIWSFIZ-GOSISDBHSA-N 2 2 340.423 3.178 10 30 EGEELP CN(C)C(=[NH+]C[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N(C)C ZINC000261983895 1296613079 /nfs/dbraw/zinc/61/30/79/1296613079.db2.gz JHQBDETVNRFBRX-OAHLLOKOSA-N 2 2 340.874 3.095 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H](COC(C)C)Cc2ccc(F)cc2)CC1 ZINC000872035536 1296684416 /nfs/dbraw/zinc/68/44/16/1296684416.db2.gz WSGVEOVMXWXWGH-HXUWFJFHSA-N 2 2 334.479 3.402 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000872109033 1296735143 /nfs/dbraw/zinc/73/51/43/1296735143.db2.gz GDXLKPGKMVTJPG-SESVDKBCSA-N 2 2 339.483 3.070 10 30 EGEELP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000705661883 1298214544 /nfs/dbraw/zinc/21/45/44/1298214544.db2.gz GYKQWFHSTDICFS-SFTDATJTSA-N 2 2 347.462 3.131 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001271790622 1377652294 /nfs/dbraw/zinc/65/22/94/1377652294.db2.gz ODDRZKNQQVQMSN-UHFFFAOYSA-N 2 2 346.519 3.214 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001271790622 1377652296 /nfs/dbraw/zinc/65/22/96/1377652296.db2.gz ODDRZKNQQVQMSN-UHFFFAOYSA-N 2 2 346.519 3.214 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001283906017 1379251847 /nfs/dbraw/zinc/25/18/47/1379251847.db2.gz NEGHKJWXETULQD-SJORKVTESA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001319816699 1386313074 /nfs/dbraw/zinc/31/30/74/1386313074.db2.gz KGLQCWOGKZQCFM-WMZOPIPTSA-N 2 2 329.488 3.413 10 30 EGEELP C=CC[NH+]1CCC(C2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CC2)CC1 ZINC001333180439 1390262516 /nfs/dbraw/zinc/26/25/16/1390262516.db2.gz GFVHNQSOLZMYQB-GOSISDBHSA-N 2 2 344.503 3.017 10 30 EGEELP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480696541 1392860235 /nfs/dbraw/zinc/86/02/35/1392860235.db2.gz XBXPWXYEIWZKIL-JKSUJKDBSA-N 2 2 326.444 3.160 10 30 EGEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765802 1394328389 /nfs/dbraw/zinc/32/83/89/1394328389.db2.gz HKEGPJCKRGXOTP-MOPGFXCFSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765802 1394328397 /nfs/dbraw/zinc/32/83/97/1394328397.db2.gz HKEGPJCKRGXOTP-MOPGFXCFSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001495458589 1396536281 /nfs/dbraw/zinc/53/62/81/1396536281.db2.gz SVQMHUXPIFRDDN-SZMVWBNQSA-N 2 2 345.487 3.004 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498489053 1397032937 /nfs/dbraw/zinc/03/29/37/1397032937.db2.gz VKALCWRGKIUZAT-MSOLQXFVSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001690536280 1404625218 /nfs/dbraw/zinc/62/52/18/1404625218.db2.gz YIAVFUNDENUWOL-FAEJEUNOSA-N 2 2 346.519 3.298 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001691790219 1405499529 /nfs/dbraw/zinc/49/95/29/1405499529.db2.gz KUJZXOYMPIONSC-ROUUACIJSA-N 2 2 346.519 3.020 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001691790219 1405499530 /nfs/dbraw/zinc/49/95/30/1405499530.db2.gz KUJZXOYMPIONSC-ROUUACIJSA-N 2 2 346.519 3.020 10 30 EGEELP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001732302048 1428519783 /nfs/dbraw/zinc/51/97/83/1428519783.db2.gz UDPSVTQEWFSEOY-INIZCTEOSA-N 2 2 346.519 3.260 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001732549994 1428729912 /nfs/dbraw/zinc/72/99/12/1428729912.db2.gz AFPZWXBLUUHOST-SFHVURJKSA-N 2 2 346.519 3.361 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001732549994 1428729917 /nfs/dbraw/zinc/72/99/17/1428729917.db2.gz AFPZWXBLUUHOST-SFHVURJKSA-N 2 2 346.519 3.361 10 30 EGEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCCCC ZINC001700525986 1414187715 /nfs/dbraw/zinc/18/77/15/1414187715.db2.gz ULKKTBAZIQJETM-PMACEKPBSA-N 2 2 347.547 3.025 10 30 EGEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCCCC ZINC001700525986 1414187720 /nfs/dbraw/zinc/18/77/20/1414187720.db2.gz ULKKTBAZIQJETM-PMACEKPBSA-N 2 2 347.547 3.025 10 30 EGEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCCCC ZINC001700525986 1414187722 /nfs/dbraw/zinc/18/77/22/1414187722.db2.gz ULKKTBAZIQJETM-PMACEKPBSA-N 2 2 347.547 3.025 10 30 EGEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCCCC ZINC001700525986 1414187727 /nfs/dbraw/zinc/18/77/27/1414187727.db2.gz ULKKTBAZIQJETM-PMACEKPBSA-N 2 2 347.547 3.025 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001700891279 1414550384 /nfs/dbraw/zinc/55/03/84/1414550384.db2.gz ZSCGYPXPJBLVEU-IAGOWNOFSA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001700891279 1414550389 /nfs/dbraw/zinc/55/03/89/1414550389.db2.gz ZSCGYPXPJBLVEU-IAGOWNOFSA-N 2 2 334.508 3.200 10 30 EGEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001713096378 1417645311 /nfs/dbraw/zinc/64/53/11/1417645311.db2.gz XHKYLIWYGDELJW-GOSISDBHSA-N 2 2 338.455 3.113 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829934 1420956018 /nfs/dbraw/zinc/95/60/18/1420956018.db2.gz GDRAKFUBIMAOBJ-YLJYHZDGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829934 1420956020 /nfs/dbraw/zinc/95/60/20/1420956020.db2.gz GDRAKFUBIMAOBJ-YLJYHZDGSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001716899978 1421030741 /nfs/dbraw/zinc/03/07/41/1421030741.db2.gz JVOWPOUYZTXADT-PKOBYXMFSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001716899978 1421030744 /nfs/dbraw/zinc/03/07/44/1421030744.db2.gz JVOWPOUYZTXADT-PKOBYXMFSA-N 2 2 332.492 3.019 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717208703 1421180868 /nfs/dbraw/zinc/18/08/68/1421180868.db2.gz JEOGUVLAWAXPBE-OAHLLOKOSA-N 2 2 328.460 3.312 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717208703 1421180870 /nfs/dbraw/zinc/18/08/70/1421180870.db2.gz JEOGUVLAWAXPBE-OAHLLOKOSA-N 2 2 328.460 3.312 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367261 1421303220 /nfs/dbraw/zinc/30/32/20/1421303220.db2.gz GSFDUZKHWWJIKC-NVXWUHKLSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367261 1421303224 /nfs/dbraw/zinc/30/32/24/1421303224.db2.gz GSFDUZKHWWJIKC-NVXWUHKLSA-N 2 2 340.471 3.454 10 30 EGEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001717951751 1421722121 /nfs/dbraw/zinc/72/21/21/1421722121.db2.gz GATMMIOVQMFFKJ-IRXDYDNUSA-N 2 2 343.943 3.028 10 30 EGEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001717951751 1421722122 /nfs/dbraw/zinc/72/21/22/1421722122.db2.gz GATMMIOVQMFFKJ-IRXDYDNUSA-N 2 2 343.943 3.028 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001725613071 1426274087 /nfs/dbraw/zinc/27/40/87/1426274087.db2.gz AUTBXJQNPDISOF-OKZBNKHCSA-N 2 2 346.519 3.139 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731517646 1427505568 /nfs/dbraw/zinc/50/55/68/1427505568.db2.gz ORBXYPPJIOYJEB-CVEARBPZSA-N 2 2 340.471 3.359 10 30 EGEELP CC#CC[NH2+]C1(CC)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001733804171 1430073285 /nfs/dbraw/zinc/07/32/85/1430073285.db2.gz AQYBUJTZMJMTCE-UHFFFAOYSA-N 2 2 327.472 3.005 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734332629 1438055378 /nfs/dbraw/zinc/05/53/78/1438055378.db2.gz ATEDGRXGXGFUBL-DLBZAZTESA-N 2 2 340.471 3.277 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358566178 278254456 /nfs/dbraw/zinc/25/44/56/278254456.db2.gz INPGNLHEOIDYDL-KPOBHBOGSA-N 2 2 345.462 3.116 10 30 EGEELP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000623527990 460597315 /nfs/dbraw/zinc/59/73/15/460597315.db2.gz SCXCJTHGKMAMIU-ZDUSSCGKSA-N 2 2 347.846 3.284 10 30 EGEELP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000623527990 460597320 /nfs/dbraw/zinc/59/73/20/460597320.db2.gz SCXCJTHGKMAMIU-ZDUSSCGKSA-N 2 2 347.846 3.284 10 30 EGEELP Cc1c(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C#N)n1C ZINC000048363728 454480593 /nfs/dbraw/zinc/48/05/93/454480593.db2.gz ZJAGRPKNDUJFQV-UHFFFAOYSA-N 2 2 340.446 3.099 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000154298827 454882823 /nfs/dbraw/zinc/88/28/23/454882823.db2.gz XNMSEQUQLSDRPM-HOCLYGCPSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000154298827 454882826 /nfs/dbraw/zinc/88/28/26/454882826.db2.gz XNMSEQUQLSDRPM-HOCLYGCPSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298827 454882828 /nfs/dbraw/zinc/88/28/28/454882828.db2.gz XNMSEQUQLSDRPM-HOCLYGCPSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298827 454882830 /nfs/dbraw/zinc/88/28/30/454882830.db2.gz XNMSEQUQLSDRPM-HOCLYGCPSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000177861137 454913581 /nfs/dbraw/zinc/91/35/81/454913581.db2.gz GDXDWVJPSLBJPA-YWZLYKJASA-N 2 2 338.430 3.093 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000177861137 454913585 /nfs/dbraw/zinc/91/35/85/454913585.db2.gz GDXDWVJPSLBJPA-YWZLYKJASA-N 2 2 338.430 3.093 10 30 EGEELP C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246763510 455523769 /nfs/dbraw/zinc/52/37/69/455523769.db2.gz PPMFAJOYDVCXNO-YLJYHZDGSA-N 2 2 337.471 3.316 10 30 EGEELP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246763510 455523772 /nfs/dbraw/zinc/52/37/72/455523772.db2.gz PPMFAJOYDVCXNO-YLJYHZDGSA-N 2 2 337.471 3.316 10 30 EGEELP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352856409 456367633 /nfs/dbraw/zinc/36/76/33/456367633.db2.gz WOFGWJXMSFCSPN-UHFFFAOYSA-N 2 2 326.469 3.077 10 30 EGEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840974 457378140 /nfs/dbraw/zinc/37/81/40/457378140.db2.gz PUKYKNDNGMAHIN-UYAOXDASSA-N 2 2 327.472 3.026 10 30 EGEELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840974 457378147 /nfs/dbraw/zinc/37/81/47/457378147.db2.gz PUKYKNDNGMAHIN-UYAOXDASSA-N 2 2 327.472 3.026 10 30 EGEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423104681 458430017 /nfs/dbraw/zinc/43/00/17/458430017.db2.gz YLMSGQZTPCOWQY-AFYVEPGGSA-N 2 2 330.472 3.059 10 30 EGEELP Cc1ccncc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594968502 459200125 /nfs/dbraw/zinc/20/01/25/459200125.db2.gz PYZXQKXGVAMDHE-UHFFFAOYSA-N 2 2 334.467 3.058 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780207 459870889 /nfs/dbraw/zinc/87/08/89/459870889.db2.gz BDLKZEPNVUPDHX-OAQYLSRUSA-N 2 2 332.451 3.051 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780207 459870893 /nfs/dbraw/zinc/87/08/93/459870893.db2.gz BDLKZEPNVUPDHX-OAQYLSRUSA-N 2 2 332.451 3.051 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780207 459870899 /nfs/dbraw/zinc/87/08/99/459870899.db2.gz BDLKZEPNVUPDHX-OAQYLSRUSA-N 2 2 332.451 3.051 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780207 459870903 /nfs/dbraw/zinc/87/09/03/459870903.db2.gz BDLKZEPNVUPDHX-OAQYLSRUSA-N 2 2 332.451 3.051 10 30 EGEELP Cc1ccc(CCC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c[nH+]1 ZINC000597210107 459877797 /nfs/dbraw/zinc/87/77/97/459877797.db2.gz GIYVNHSCRDYNDM-UHFFFAOYSA-N 2 2 335.451 3.490 10 30 EGEELP N#Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)n2c1 ZINC000593658093 459943799 /nfs/dbraw/zinc/94/37/99/459943799.db2.gz QXFZSPHOEVHHNZ-UHFFFAOYSA-N 2 2 338.308 3.072 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739926980 576520895 /nfs/dbraw/zinc/52/08/95/576520895.db2.gz QMBQBZXCYYEIDL-HNNXBMFYSA-N 2 2 333.863 3.160 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739926980 576520896 /nfs/dbraw/zinc/52/08/96/576520896.db2.gz QMBQBZXCYYEIDL-HNNXBMFYSA-N 2 2 333.863 3.160 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925413161 1325144616 /nfs/dbraw/zinc/14/46/16/1325144616.db2.gz FHWQJPBHADEOMJ-HOJAQTOUSA-N 2 2 327.472 3.474 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925413161 1325144620 /nfs/dbraw/zinc/14/46/20/1325144620.db2.gz FHWQJPBHADEOMJ-HOJAQTOUSA-N 2 2 327.472 3.474 10 30 EGEELP C=CC1(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000932577937 1329824474 /nfs/dbraw/zinc/82/44/74/1329824474.db2.gz TUQJOSINKSZVGT-LJQANCHMSA-N 2 2 347.547 3.140 10 30 EGEELP C=CC1(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000932577937 1329824475 /nfs/dbraw/zinc/82/44/75/1329824475.db2.gz TUQJOSINKSZVGT-LJQANCHMSA-N 2 2 347.547 3.140 10 30 EGEELP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257483 1330086386 /nfs/dbraw/zinc/08/63/86/1330086386.db2.gz ILUIIDKBCSBHOJ-PKOBYXMFSA-N 2 2 349.478 3.479 10 30 EGEELP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257483 1330086388 /nfs/dbraw/zinc/08/63/88/1330086388.db2.gz ILUIIDKBCSBHOJ-PKOBYXMFSA-N 2 2 349.478 3.479 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)[C@@H](C)C1 ZINC000866267731 1330087721 /nfs/dbraw/zinc/08/77/21/1330087721.db2.gz HJGYFEGGKHWWPH-FCEWJHQRSA-N 2 2 345.487 3.051 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)[C@@H](C)C1 ZINC000866267731 1330087722 /nfs/dbraw/zinc/08/77/22/1330087722.db2.gz HJGYFEGGKHWWPH-FCEWJHQRSA-N 2 2 345.487 3.051 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840686 1331214896 /nfs/dbraw/zinc/21/48/96/1331214896.db2.gz ZUUJVSYDALOJLO-SFHVURJKSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840686 1331214898 /nfs/dbraw/zinc/21/48/98/1331214898.db2.gz ZUUJVSYDALOJLO-SFHVURJKSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001323670230 1387421387 /nfs/dbraw/zinc/42/13/87/1387421387.db2.gz POCDKXNSFIRTMR-YQQQUEKLSA-N 2 2 344.503 3.131 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001317687539 1385399118 /nfs/dbraw/zinc/39/91/18/1385399118.db2.gz SANHICFTEWWXCY-KRWDZBQOSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001480403240 1392742219 /nfs/dbraw/zinc/74/22/19/1392742219.db2.gz QIHLUTFMZBFCLQ-UHFFFAOYSA-N 2 2 340.471 3.240 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480617891 1392822617 /nfs/dbraw/zinc/82/26/17/1392822617.db2.gz IDHNMXDGTUFOSP-AEFFLSMTSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110140 1394431060 /nfs/dbraw/zinc/43/10/60/1394431060.db2.gz FIDDGVKERMOKFK-HOTGVXAUSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110140 1394431063 /nfs/dbraw/zinc/43/10/63/1394431063.db2.gz FIDDGVKERMOKFK-HOTGVXAUSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048953 1395212341 /nfs/dbraw/zinc/21/23/41/1395212341.db2.gz IRDICXDELZAGLA-KUHUBIRLSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048953 1395212345 /nfs/dbraw/zinc/21/23/45/1395212345.db2.gz IRDICXDELZAGLA-KUHUBIRLSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484104259 1395253261 /nfs/dbraw/zinc/25/32/61/1395253261.db2.gz MQFPWCWDASTIMP-FQEVSTJZSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690707737 1404694118 /nfs/dbraw/zinc/69/41/18/1404694118.db2.gz CCKXZWFLWYRHPV-NVXWUHKLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691626179 1405364253 /nfs/dbraw/zinc/36/42/53/1405364253.db2.gz WLTJWURMQBLPOG-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001692004369 1405721268 /nfs/dbraw/zinc/72/12/68/1405721268.db2.gz JDXKDMFIDACLCQ-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692091136 1405768510 /nfs/dbraw/zinc/76/85/10/1405768510.db2.gz BTKCFNBQSKIGPI-BRWVUGGUSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692091136 1405768511 /nfs/dbraw/zinc/76/85/11/1405768511.db2.gz BTKCFNBQSKIGPI-BRWVUGGUSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692091136 1405768514 /nfs/dbraw/zinc/76/85/14/1405768514.db2.gz BTKCFNBQSKIGPI-BRWVUGGUSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692091136 1405768516 /nfs/dbraw/zinc/76/85/16/1405768516.db2.gz BTKCFNBQSKIGPI-BRWVUGGUSA-N 2 2 332.492 3.064 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699682888 1413077033 /nfs/dbraw/zinc/07/70/33/1413077033.db2.gz VCLZKFJHJYRZGM-ZACQAIPSSA-N 2 2 344.503 3.107 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699682888 1413077036 /nfs/dbraw/zinc/07/70/36/1413077036.db2.gz VCLZKFJHJYRZGM-ZACQAIPSSA-N 2 2 344.503 3.107 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001700018997 1413466242 /nfs/dbraw/zinc/46/62/42/1413466242.db2.gz XZFWFUDJNYCYKK-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001700018997 1413466245 /nfs/dbraw/zinc/46/62/45/1413466245.db2.gz XZFWFUDJNYCYKK-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001700018997 1413466247 /nfs/dbraw/zinc/46/62/47/1413466247.db2.gz XZFWFUDJNYCYKK-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001700018997 1413466250 /nfs/dbraw/zinc/46/62/50/1413466250.db2.gz XZFWFUDJNYCYKK-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001700260401 1413708910 /nfs/dbraw/zinc/70/89/10/1413708910.db2.gz AVOPZNXDKUMEAE-FUHWJXTLSA-N 2 2 348.535 3.334 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001732561445 1428751790 /nfs/dbraw/zinc/75/17/90/1428751790.db2.gz XYCWQPIXXGZFAS-KDOFPFPSSA-N 2 2 328.460 3.262 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713263314 1417871317 /nfs/dbraw/zinc/87/13/17/1417871317.db2.gz IJKQZTRCAZKHEY-WMZOPIPTSA-N 2 2 346.519 3.252 10 30 EGEELP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714190656 1418997309 /nfs/dbraw/zinc/99/73/09/1418997309.db2.gz FZDDYIBQSDZZMH-DAWZGUTISA-N 2 2 332.492 3.063 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488566 1420708278 /nfs/dbraw/zinc/70/82/78/1420708278.db2.gz PGJIMRQXXVKADA-IRXDYDNUSA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488566 1420708281 /nfs/dbraw/zinc/70/82/81/1420708281.db2.gz PGJIMRQXXVKADA-IRXDYDNUSA-N 2 2 340.471 3.277 10 30 EGEELP C=C(C)CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001716713654 1420867968 /nfs/dbraw/zinc/86/79/68/1420867968.db2.gz MUKJLXDASMDWGR-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=C(C)CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001716713654 1420867971 /nfs/dbraw/zinc/86/79/71/1420867971.db2.gz MUKJLXDASMDWGR-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001716752007 1420903320 /nfs/dbraw/zinc/90/33/20/1420903320.db2.gz HKSAFHRQFDNGDH-PXNSSMCTSA-N 2 2 343.515 3.177 10 30 EGEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716752007 1420903322 /nfs/dbraw/zinc/90/33/22/1420903322.db2.gz HKSAFHRQFDNGDH-PXNSSMCTSA-N 2 2 343.515 3.177 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001716761845 1420909007 /nfs/dbraw/zinc/90/90/07/1420909007.db2.gz QFUQRHJDJRPUGM-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCCC1 ZINC001733279257 1429449650 /nfs/dbraw/zinc/44/96/50/1429449650.db2.gz ZPMXJHABNLAKMX-QGZVFWFLSA-N 2 2 332.492 3.161 10 30 EGEELP C=CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCCC1 ZINC001733279257 1429449652 /nfs/dbraw/zinc/44/96/52/1429449652.db2.gz ZPMXJHABNLAKMX-QGZVFWFLSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032784 1421086682 /nfs/dbraw/zinc/08/66/82/1421086682.db2.gz QPIVSXPVFSHEHG-RBUKOAKNSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032784 1421086683 /nfs/dbraw/zinc/08/66/83/1421086683.db2.gz QPIVSXPVFSHEHG-RBUKOAKNSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717196405 1421162669 /nfs/dbraw/zinc/16/26/69/1421162669.db2.gz CZAWEZHGBSCSRH-DLBZAZTESA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717196405 1421162671 /nfs/dbraw/zinc/16/26/71/1421162671.db2.gz CZAWEZHGBSCSRH-DLBZAZTESA-N 2 2 340.471 3.273 10 30 EGEELP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717447089 1421376460 /nfs/dbraw/zinc/37/64/60/1421376460.db2.gz OBEUHHVPRSLVTM-UHFFFAOYSA-N 2 2 340.471 3.273 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725649019 1426331617 /nfs/dbraw/zinc/33/16/17/1426331617.db2.gz CKZXKVLERXBXIQ-ZWKOTPCHSA-N 2 2 329.488 3.461 10 30 EGEELP CCCCCCC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001734118684 1437900267 /nfs/dbraw/zinc/90/02/67/1437900267.db2.gz HIJUDXZDBNZSCH-INIZCTEOSA-N 2 2 342.487 3.355 10 30 EGEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001734269342 1437994301 /nfs/dbraw/zinc/99/43/01/1437994301.db2.gz RXSQFRFYZVEEFK-LJQANCHMSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001734269342 1437994303 /nfs/dbraw/zinc/99/43/03/1437994303.db2.gz RXSQFRFYZVEEFK-LJQANCHMSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001734269341 1437995036 /nfs/dbraw/zinc/99/50/36/1437995036.db2.gz RXSQFRFYZVEEFK-IBGZPJMESA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001734269341 1437995048 /nfs/dbraw/zinc/99/50/48/1437995048.db2.gz RXSQFRFYZVEEFK-IBGZPJMESA-N 2 2 346.519 3.359 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(Br)c1 ZINC000378486555 169129111 /nfs/dbraw/zinc/12/91/11/169129111.db2.gz VEUSGHIKQLDCCD-UHFFFAOYSA-N 2 2 345.244 3.423 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(Br)c1 ZINC000378486555 169129112 /nfs/dbraw/zinc/12/91/12/169129112.db2.gz VEUSGHIKQLDCCD-UHFFFAOYSA-N 2 2 345.244 3.423 10 30 EGEELP CC[NH+](CC)[C@@H](CNCc1c[nH+]c2ccc(C#N)cn12)CC(C)C ZINC000123261256 162254333 /nfs/dbraw/zinc/25/43/33/162254333.db2.gz USVSKJOIBBMGDA-QGZVFWFLSA-N 2 2 327.476 3.052 10 30 EGEELP C[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000551069831 315141327 /nfs/dbraw/zinc/14/13/27/315141327.db2.gz ORMGYOSLJBZEBT-NHCUHLMSSA-N 2 2 335.451 3.362 10 30 EGEELP C[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000551069831 315141328 /nfs/dbraw/zinc/14/13/28/315141328.db2.gz ORMGYOSLJBZEBT-NHCUHLMSSA-N 2 2 335.451 3.362 10 30 EGEELP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000551069830 315141401 /nfs/dbraw/zinc/14/14/01/315141401.db2.gz ORMGYOSLJBZEBT-LEWJYISDSA-N 2 2 335.451 3.362 10 30 EGEELP C[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000551069830 315141403 /nfs/dbraw/zinc/14/14/03/315141403.db2.gz ORMGYOSLJBZEBT-LEWJYISDSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCCC1)c1ccccc1 ZINC000600726500 460580966 /nfs/dbraw/zinc/58/09/66/460580966.db2.gz LQHQRBJSEQWDPN-PKOBYXMFSA-N 2 2 341.499 3.294 10 30 EGEELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000088735325 454117864 /nfs/dbraw/zinc/11/78/64/454117864.db2.gz LZDKTNRAAFXWDO-XLIONFOSSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000088735325 454117867 /nfs/dbraw/zinc/11/78/67/454117867.db2.gz LZDKTNRAAFXWDO-XLIONFOSSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000154298742 454882776 /nfs/dbraw/zinc/88/27/76/454882776.db2.gz XNMSEQUQLSDRPM-ZBFHGGJFSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000154298742 454882780 /nfs/dbraw/zinc/88/27/80/454882780.db2.gz XNMSEQUQLSDRPM-ZBFHGGJFSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298742 454882783 /nfs/dbraw/zinc/88/27/83/454882783.db2.gz XNMSEQUQLSDRPM-ZBFHGGJFSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298742 454882784 /nfs/dbraw/zinc/88/27/84/454882784.db2.gz XNMSEQUQLSDRPM-ZBFHGGJFSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000247960518 455660808 /nfs/dbraw/zinc/66/08/08/455660808.db2.gz GDXDWVJPSLBJPA-FOIQADDNSA-N 2 2 338.430 3.093 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000247960518 455660810 /nfs/dbraw/zinc/66/08/10/455660810.db2.gz GDXDWVJPSLBJPA-FOIQADDNSA-N 2 2 338.430 3.093 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248603847 455722419 /nfs/dbraw/zinc/72/24/19/455722419.db2.gz BPMMTORJQYMWAV-SXLOBPIMSA-N 2 2 349.563 3.384 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248603847 455722420 /nfs/dbraw/zinc/72/24/20/455722420.db2.gz BPMMTORJQYMWAV-SXLOBPIMSA-N 2 2 349.563 3.384 10 30 EGEELP N#Cc1cc(Br)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000287969242 456083626 /nfs/dbraw/zinc/08/36/26/456083626.db2.gz ZENDYEQVHIHPPG-UHFFFAOYSA-N 2 2 345.244 3.423 10 30 EGEELP N#Cc1ccc2ncc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2c1 ZINC000349414544 456965307 /nfs/dbraw/zinc/96/53/07/456965307.db2.gz GYRHMXBPJIBXGP-UHFFFAOYSA-N 2 2 348.454 3.095 10 30 EGEELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000594739811 459147661 /nfs/dbraw/zinc/14/76/61/459147661.db2.gz WCTJTNYROOQLHN-SFTDATJTSA-N 2 2 335.451 3.192 10 30 EGEELP C=CCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)c1 ZINC000628476016 460431651 /nfs/dbraw/zinc/43/16/51/460431651.db2.gz VYWPNBVXXVTCIU-UHFFFAOYSA-N 2 2 344.499 3.328 10 30 EGEELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743862503 576817243 /nfs/dbraw/zinc/81/72/43/576817243.db2.gz HRUVBYNCTDMYKN-HNNXBMFYSA-N 2 2 335.879 3.406 10 30 EGEELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743862503 576817244 /nfs/dbraw/zinc/81/72/44/576817244.db2.gz HRUVBYNCTDMYKN-HNNXBMFYSA-N 2 2 335.879 3.406 10 30 EGEELP COCC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000872104458 1296732581 /nfs/dbraw/zinc/73/25/81/1296732581.db2.gz GCGJEAIPMDEYJR-UHFFFAOYSA-N 2 2 329.488 3.175 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)[C@@H](C)C1 ZINC000866267729 1330087962 /nfs/dbraw/zinc/08/79/62/1330087962.db2.gz HJGYFEGGKHWWPH-BXWFABGCSA-N 2 2 345.487 3.051 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)[C@@H](C)C1 ZINC000866267729 1330087965 /nfs/dbraw/zinc/08/79/65/1330087965.db2.gz HJGYFEGGKHWWPH-BXWFABGCSA-N 2 2 345.487 3.051 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866382104 1330104301 /nfs/dbraw/zinc/10/43/01/1330104301.db2.gz SPUOQYCDELGIRS-CVAIRZPRSA-N 2 2 335.451 3.260 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866382104 1330104305 /nfs/dbraw/zinc/10/43/05/1330104305.db2.gz SPUOQYCDELGIRS-CVAIRZPRSA-N 2 2 335.451 3.260 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001319620508 1386214161 /nfs/dbraw/zinc/21/41/61/1386214161.db2.gz PQASVBXBXACPIF-INIZCTEOSA-N 2 2 328.460 3.035 10 30 EGEELP C=CC[NH2+]Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001698718025 1406361868 /nfs/dbraw/zinc/36/18/68/1406361868.db2.gz VRVDCOLHMHHLOE-UHFFFAOYSA-N 2 2 346.434 3.078 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001330476921 1389426574 /nfs/dbraw/zinc/42/65/74/1389426574.db2.gz XQXCGIMQRJPEDS-GBESFXJTSA-N 2 2 346.519 3.070 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001330476921 1389426575 /nfs/dbraw/zinc/42/65/75/1389426575.db2.gz XQXCGIMQRJPEDS-GBESFXJTSA-N 2 2 346.519 3.070 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001331031624 1389603625 /nfs/dbraw/zinc/60/36/25/1389603625.db2.gz YNIZPKRJRXIQRK-QGZVFWFLSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001331031624 1389603630 /nfs/dbraw/zinc/60/36/30/1389603630.db2.gz YNIZPKRJRXIQRK-QGZVFWFLSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001332386563 1390102659 /nfs/dbraw/zinc/10/26/59/1390102659.db2.gz GBTKMNLUFWDAJU-KDOFPFPSSA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048951 1395213363 /nfs/dbraw/zinc/21/33/63/1395213363.db2.gz IRDICXDELZAGLA-IFXJQAMLSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048951 1395213365 /nfs/dbraw/zinc/21/33/65/1395213365.db2.gz IRDICXDELZAGLA-IFXJQAMLSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001699010240 1406837373 /nfs/dbraw/zinc/83/73/73/1406837373.db2.gz UVFLPEQVEIXNCW-HNAYVOBHSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001699010240 1406837382 /nfs/dbraw/zinc/83/73/82/1406837382.db2.gz UVFLPEQVEIXNCW-HNAYVOBHSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691619939 1405360593 /nfs/dbraw/zinc/36/05/93/1405360593.db2.gz CYXMDIFWLFIVOP-WMZOPIPTSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691619939 1405360599 /nfs/dbraw/zinc/36/05/99/1405360599.db2.gz CYXMDIFWLFIVOP-WMZOPIPTSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001732259466 1428499564 /nfs/dbraw/zinc/49/95/64/1428499564.db2.gz RHBBHMOMMNTLCN-JXFKEZNVSA-N 2 2 340.471 3.179 10 30 EGEELP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001699694618 1413103040 /nfs/dbraw/zinc/10/30/40/1413103040.db2.gz LHQGANMPFNRSNZ-GOSISDBHSA-N 2 2 344.503 3.115 10 30 EGEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001713096379 1417645261 /nfs/dbraw/zinc/64/52/61/1417645261.db2.gz XHKYLIWYGDELJW-SFHVURJKSA-N 2 2 338.455 3.113 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713954578 1418737125 /nfs/dbraw/zinc/73/71/25/1418737125.db2.gz UVBGCWZCMQMCAE-WKILWMFISA-N 2 2 328.460 3.155 10 30 EGEELP C=CCC[NH+]1CCC(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001715205177 1419939522 /nfs/dbraw/zinc/93/95/22/1419939522.db2.gz OKDJSPOYEVXWCD-UHFFFAOYSA-N 2 2 329.488 3.415 10 30 EGEELP C=C(C)CC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001716888681 1421012187 /nfs/dbraw/zinc/01/21/87/1421012187.db2.gz ZJDZVFLMAYAVIY-QGZVFWFLSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716895679 1421022339 /nfs/dbraw/zinc/02/23/39/1421022339.db2.gz KRCSURRPVHALGX-HXUWFJFHSA-N 2 2 340.471 3.361 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716895679 1421022342 /nfs/dbraw/zinc/02/23/42/1421022342.db2.gz KRCSURRPVHALGX-HXUWFJFHSA-N 2 2 340.471 3.361 10 30 EGEELP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717985006 1421757583 /nfs/dbraw/zinc/75/75/83/1421757583.db2.gz UNMLEUYNDTWJJP-SJORKVTESA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717985005 1421757637 /nfs/dbraw/zinc/75/76/37/1421757637.db2.gz UNMLEUYNDTWJJP-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393091 1429584402 /nfs/dbraw/zinc/58/44/02/1429584402.db2.gz NQSMANPPRYHGRT-YLJYHZDGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393091 1429584403 /nfs/dbraw/zinc/58/44/03/1429584403.db2.gz NQSMANPPRYHGRT-YLJYHZDGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724709968 1425065493 /nfs/dbraw/zinc/06/54/93/1425065493.db2.gz HKFDMACYWRVNOY-FUHWJXTLSA-N 2 2 346.519 3.110 10 30 EGEELP C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386074269 324265635 /nfs/dbraw/zinc/26/56/35/324265635.db2.gz CBVVPXXKTKMMID-GDBMZVCRSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386074269 324265639 /nfs/dbraw/zinc/26/56/39/324265639.db2.gz CBVVPXXKTKMMID-GDBMZVCRSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812587 454638515 /nfs/dbraw/zinc/63/85/15/454638515.db2.gz YWSVKNGSRILQON-SJLPKXTDSA-N 2 2 336.439 3.306 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812587 454638521 /nfs/dbraw/zinc/63/85/21/454638521.db2.gz YWSVKNGSRILQON-SJLPKXTDSA-N 2 2 336.439 3.306 10 30 EGEELP CC(C)c1cccc(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000170912432 454998842 /nfs/dbraw/zinc/99/88/42/454998842.db2.gz FYKBHYPGLNBBKU-UHFFFAOYSA-N 2 2 334.427 3.318 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273611 455940063 /nfs/dbraw/zinc/94/00/63/455940063.db2.gz MEZZBRXPJRTBTJ-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273611 455940066 /nfs/dbraw/zinc/94/00/66/455940066.db2.gz MEZZBRXPJRTBTJ-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273611 455940069 /nfs/dbraw/zinc/94/00/69/455940069.db2.gz MEZZBRXPJRTBTJ-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273611 455940074 /nfs/dbraw/zinc/94/00/74/455940074.db2.gz MEZZBRXPJRTBTJ-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)c1nccs1)c1nccs1 ZINC000341913487 456998202 /nfs/dbraw/zinc/99/82/02/456998202.db2.gz TYIDLMSJZXJUPR-OKILXGFUSA-N 2 2 334.514 3.385 10 30 EGEELP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306508 457563750 /nfs/dbraw/zinc/56/37/50/457563750.db2.gz RIFSTDHATAVXDM-WBMJQRKESA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306508 457563756 /nfs/dbraw/zinc/56/37/56/457563756.db2.gz RIFSTDHATAVXDM-WBMJQRKESA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306508 457563763 /nfs/dbraw/zinc/56/37/63/457563763.db2.gz RIFSTDHATAVXDM-WBMJQRKESA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306508 457563764 /nfs/dbraw/zinc/56/37/64/457563764.db2.gz RIFSTDHATAVXDM-WBMJQRKESA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1F ZINC000358572511 458085182 /nfs/dbraw/zinc/08/51/82/458085182.db2.gz QCOPRHCTEQFNFG-HNNXBMFYSA-N 2 2 338.430 3.408 10 30 EGEELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000596648819 459714048 /nfs/dbraw/zinc/71/40/48/459714048.db2.gz FYFWKCNYOFOHJO-RKOGWWSCSA-N 2 2 327.472 3.203 10 30 EGEELP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000527806471 459743625 /nfs/dbraw/zinc/74/36/25/459743625.db2.gz LBCUOYFNKWPMOU-GOSISDBHSA-N 2 2 330.472 3.367 10 30 EGEELP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000527806471 459743629 /nfs/dbraw/zinc/74/36/29/459743629.db2.gz LBCUOYFNKWPMOU-GOSISDBHSA-N 2 2 330.472 3.367 10 30 EGEELP COCc1cc[nH+]c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000593696240 459956604 /nfs/dbraw/zinc/95/66/04/459956604.db2.gz GEQQTFZPUXSWCF-UHFFFAOYSA-N 2 2 336.439 3.176 10 30 EGEELP C=CC[NH+]1CCC(Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642119366 461449788 /nfs/dbraw/zinc/44/97/88/461449788.db2.gz BYJSTYLUDWQOTQ-UHFFFAOYSA-N 2 2 325.391 3.313 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811797 1378622161 /nfs/dbraw/zinc/62/21/61/1378622161.db2.gz QMUAYOHJXGTURT-IRXDYDNUSA-N 2 2 346.519 3.108 10 30 EGEELP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811797 1378622165 /nfs/dbraw/zinc/62/21/65/1378622165.db2.gz QMUAYOHJXGTURT-IRXDYDNUSA-N 2 2 346.519 3.108 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811798 1378622265 /nfs/dbraw/zinc/62/22/65/1378622265.db2.gz QMUAYOHJXGTURT-SJORKVTESA-N 2 2 346.519 3.108 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811798 1378622268 /nfs/dbraw/zinc/62/22/68/1378622268.db2.gz QMUAYOHJXGTURT-SJORKVTESA-N 2 2 346.519 3.108 10 30 EGEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001282965778 1378690634 /nfs/dbraw/zinc/69/06/34/1378690634.db2.gz BCAXSOKVCLYLOL-UHFFFAOYSA-N 2 2 338.455 3.067 10 30 EGEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001282965778 1378690638 /nfs/dbraw/zinc/69/06/38/1378690638.db2.gz BCAXSOKVCLYLOL-UHFFFAOYSA-N 2 2 338.455 3.067 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317005001 1384765183 /nfs/dbraw/zinc/76/51/83/1384765183.db2.gz DWXHFKDAVOHPDA-QGZVFWFLSA-N 2 2 346.519 3.258 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317005001 1384765187 /nfs/dbraw/zinc/76/51/87/1384765187.db2.gz DWXHFKDAVOHPDA-QGZVFWFLSA-N 2 2 346.519 3.258 10 30 EGEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317110453 1384873139 /nfs/dbraw/zinc/87/31/39/1384873139.db2.gz ZGSJRIVNPUJIAH-HDICACEKSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)C[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001698660910 1406311509 /nfs/dbraw/zinc/31/15/09/1406311509.db2.gz NRLFCRKKHWRAGB-UZLBHIALSA-N 2 2 340.471 3.179 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698730715 1406380724 /nfs/dbraw/zinc/38/07/24/1406380724.db2.gz STUPLLBDHIVVBD-GDBMZVCRSA-N 2 2 326.444 3.112 10 30 EGEELP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480097430 1392583248 /nfs/dbraw/zinc/58/32/48/1392583248.db2.gz FMIFTQIRRZMLII-CEXWTWQISA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480097430 1392583252 /nfs/dbraw/zinc/58/32/52/1392583252.db2.gz FMIFTQIRRZMLII-CEXWTWQISA-N 2 2 344.503 3.112 10 30 EGEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731561 1392894434 /nfs/dbraw/zinc/89/44/34/1392894434.db2.gz PFQSGIYXAOJQPJ-RTBURBONSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731561 1392894439 /nfs/dbraw/zinc/89/44/39/1392894439.db2.gz PFQSGIYXAOJQPJ-RTBURBONSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483940148 1395153821 /nfs/dbraw/zinc/15/38/21/1395153821.db2.gz QNCCOFQBSVMIDO-LJQANCHMSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048455 1395213280 /nfs/dbraw/zinc/21/32/80/1395213280.db2.gz UZMDEWHPNHUEOK-IEBWSBKVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048455 1395213284 /nfs/dbraw/zinc/21/32/84/1395213284.db2.gz UZMDEWHPNHUEOK-IEBWSBKVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001495458588 1396536005 /nfs/dbraw/zinc/53/60/05/1396536005.db2.gz SVQMHUXPIFRDDN-KBAYOESNSA-N 2 2 345.487 3.004 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498485221 1397030154 /nfs/dbraw/zinc/03/01/54/1397030154.db2.gz LSOFUGVOYWXECS-ZBFHGGJFSA-N 2 2 326.444 3.017 10 30 EGEELP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691999567 1405715020 /nfs/dbraw/zinc/71/50/20/1405715020.db2.gz OKSQDXSSIMMSRL-MAUKXSAKSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732542571 1428697986 /nfs/dbraw/zinc/69/79/86/1428697986.db2.gz UZAZJDFPSVUXAD-WMZOPIPTSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001699684195 1413080933 /nfs/dbraw/zinc/08/09/33/1413080933.db2.gz PMIKHRABSDVUBI-CEXWTWQISA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001699684195 1413080937 /nfs/dbraw/zinc/08/09/37/1413080937.db2.gz PMIKHRABSDVUBI-CEXWTWQISA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699752402 1413160072 /nfs/dbraw/zinc/16/00/72/1413160072.db2.gz STUPLLBDHIVVBD-ZBFHGGJFSA-N 2 2 326.444 3.112 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001700020041 1413467459 /nfs/dbraw/zinc/46/74/59/1413467459.db2.gz HINGMUBAIPQMQS-PKOBYXMFSA-N 2 2 346.519 3.154 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001700020041 1413467460 /nfs/dbraw/zinc/46/74/60/1413467460.db2.gz HINGMUBAIPQMQS-PKOBYXMFSA-N 2 2 346.519 3.154 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001700100469 1413517742 /nfs/dbraw/zinc/51/77/42/1413517742.db2.gz VMXNGCIINVUPBS-CVEARBPZSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001700100469 1413517745 /nfs/dbraw/zinc/51/77/45/1413517745.db2.gz VMXNGCIINVUPBS-CVEARBPZSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700694197 1414348783 /nfs/dbraw/zinc/34/87/83/1414348783.db2.gz UIAXGIIIFHBPEQ-QZTJIDSGSA-N 2 2 344.503 3.182 10 30 EGEELP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001700694197 1414348787 /nfs/dbraw/zinc/34/87/87/1414348787.db2.gz UIAXGIIIFHBPEQ-QZTJIDSGSA-N 2 2 344.503 3.182 10 30 EGEELP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001700694197 1414348792 /nfs/dbraw/zinc/34/87/92/1414348792.db2.gz UIAXGIIIFHBPEQ-QZTJIDSGSA-N 2 2 344.503 3.182 10 30 EGEELP C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001700694197 1414348794 /nfs/dbraw/zinc/34/87/94/1414348794.db2.gz UIAXGIIIFHBPEQ-QZTJIDSGSA-N 2 2 344.503 3.182 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001700872851 1414526592 /nfs/dbraw/zinc/52/65/92/1414526592.db2.gz JNBIHZHMUPWJJA-IPMKNSEASA-N 2 2 346.519 3.070 10 30 EGEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)C)cc1 ZINC001713698508 1418453951 /nfs/dbraw/zinc/45/39/51/1418453951.db2.gz PVDIHSWEOYDUPQ-SFHVURJKSA-N 2 2 340.471 3.099 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844823 1420971813 /nfs/dbraw/zinc/97/18/13/1420971813.db2.gz WTEQFRXPHCVQJR-HKUYNNGSSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844823 1420971814 /nfs/dbraw/zinc/97/18/14/1420971814.db2.gz WTEQFRXPHCVQJR-HKUYNNGSSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717239086 1421207103 /nfs/dbraw/zinc/20/71/03/1421207103.db2.gz WLRGSSFYCKEBLR-UHFFFAOYSA-N 2 2 346.862 3.061 10 30 EGEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308890 1421250838 /nfs/dbraw/zinc/25/08/38/1421250838.db2.gz ADJZPPSQMAGGIU-MSOLQXFVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308890 1421250839 /nfs/dbraw/zinc/25/08/39/1421250839.db2.gz ADJZPPSQMAGGIU-MSOLQXFVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731295942 1427238368 /nfs/dbraw/zinc/23/83/68/1427238368.db2.gz PQMWLFCHFOBGCE-VQIMIIECSA-N 2 2 338.455 3.031 10 30 EGEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001733579071 1429783228 /nfs/dbraw/zinc/78/32/28/1429783228.db2.gz PNZYHHKHIOLVBX-QRVBRYPASA-N 2 2 346.519 3.195 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001733579071 1429783229 /nfs/dbraw/zinc/78/32/29/1429783229.db2.gz PNZYHHKHIOLVBX-QRVBRYPASA-N 2 2 346.519 3.195 10 30 EGEELP N#Cc1ccc(OCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641904 144008879 /nfs/dbraw/zinc/00/88/79/144008879.db2.gz ZGJDPYHLQSCFKT-GOSISDBHSA-N 2 2 336.439 3.156 10 30 EGEELP N#Cc1ccc(OCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641904 144008881 /nfs/dbraw/zinc/00/88/81/144008881.db2.gz ZGJDPYHLQSCFKT-GOSISDBHSA-N 2 2 336.439 3.156 10 30 EGEELP C[NH+](C)[C@@H]1CCOc2c(NCc3c[nH+]c4ccc(C#N)cn34)cccc21 ZINC000519517762 267288314 /nfs/dbraw/zinc/28/83/14/267288314.db2.gz KDAKTJWJSDYYDI-GOSISDBHSA-N 2 2 347.422 3.203 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187485 314368987 /nfs/dbraw/zinc/36/89/87/314368987.db2.gz BNLONGUFIJMAHC-UTKZUKDTSA-N 2 2 335.451 3.047 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187485 314368989 /nfs/dbraw/zinc/36/89/89/314368989.db2.gz BNLONGUFIJMAHC-UTKZUKDTSA-N 2 2 335.451 3.047 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123842766 454680998 /nfs/dbraw/zinc/68/09/98/454680998.db2.gz YDCABBHAZRURAO-JKSUJKDBSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123842766 454681000 /nfs/dbraw/zinc/68/10/00/454681000.db2.gz YDCABBHAZRURAO-JKSUJKDBSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123842766 454681002 /nfs/dbraw/zinc/68/10/02/454681002.db2.gz YDCABBHAZRURAO-JKSUJKDBSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123842766 454681004 /nfs/dbraw/zinc/68/10/04/454681004.db2.gz YDCABBHAZRURAO-JKSUJKDBSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123842982 454681230 /nfs/dbraw/zinc/68/12/30/454681230.db2.gz YDCABBHAZRURAO-CVEARBPZSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123842982 454681236 /nfs/dbraw/zinc/68/12/36/454681236.db2.gz YDCABBHAZRURAO-CVEARBPZSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123842982 454681240 /nfs/dbraw/zinc/68/12/40/454681240.db2.gz YDCABBHAZRURAO-CVEARBPZSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123842982 454681245 /nfs/dbraw/zinc/68/12/45/454681245.db2.gz YDCABBHAZRURAO-CVEARBPZSA-N 2 2 347.528 3.318 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000190462231 455323353 /nfs/dbraw/zinc/32/33/53/455323353.db2.gz QTDRQKMHDZTOMO-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000190462231 455323356 /nfs/dbraw/zinc/32/33/56/455323356.db2.gz QTDRQKMHDZTOMO-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000190462231 455323360 /nfs/dbraw/zinc/32/33/60/455323360.db2.gz QTDRQKMHDZTOMO-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000190462231 455323362 /nfs/dbraw/zinc/32/33/62/455323362.db2.gz QTDRQKMHDZTOMO-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000246226470 455453255 /nfs/dbraw/zinc/45/32/55/455453255.db2.gz LZDKTNRAAFXWDO-YLJYHZDGSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000246226470 455453257 /nfs/dbraw/zinc/45/32/57/455453257.db2.gz LZDKTNRAAFXWDO-YLJYHZDGSA-N 2 2 335.451 3.362 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897770 455723531 /nfs/dbraw/zinc/72/35/31/455723531.db2.gz QDHCOLFUCIMKIM-RXVVDRJESA-N 3 2 327.516 3.137 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897770 455723534 /nfs/dbraw/zinc/72/35/34/455723534.db2.gz QDHCOLFUCIMKIM-RXVVDRJESA-N 3 2 327.516 3.137 10 30 EGEELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000558485971 459165629 /nfs/dbraw/zinc/16/56/29/459165629.db2.gz NNMCQMMWTLNHMP-KRWDZBQOSA-N 2 2 337.452 3.359 10 30 EGEELP N#CC1(c2ccc(C[NH2+]CC3CC[NH+](CC(F)F)CC3)cc2)CC1 ZINC000598918585 460093387 /nfs/dbraw/zinc/09/33/87/460093387.db2.gz NQVXWDPYGNMURX-UHFFFAOYSA-N 2 2 333.426 3.308 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222378 1328714570 /nfs/dbraw/zinc/71/45/70/1328714570.db2.gz UFCSYYNSBYEINU-APWZRJJASA-N 2 2 327.472 3.474 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222378 1328714576 /nfs/dbraw/zinc/71/45/76/1328714576.db2.gz UFCSYYNSBYEINU-APWZRJJASA-N 2 2 327.472 3.474 10 30 EGEELP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285276 1328728996 /nfs/dbraw/zinc/72/89/96/1328728996.db2.gz VNXNASNHAGBBHB-FQEVSTJZSA-N 2 2 326.488 3.143 10 30 EGEELP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285276 1328728998 /nfs/dbraw/zinc/72/89/98/1328728998.db2.gz VNXNASNHAGBBHB-FQEVSTJZSA-N 2 2 326.488 3.143 10 30 EGEELP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000859273338 1328958665 /nfs/dbraw/zinc/95/86/65/1328958665.db2.gz FWJGRLLIFZDNHT-DYESRHJHSA-N 2 2 334.467 3.262 10 30 EGEELP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000859273338 1328958669 /nfs/dbraw/zinc/95/86/69/1328958669.db2.gz FWJGRLLIFZDNHT-DYESRHJHSA-N 2 2 334.467 3.262 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001197377185 1368801417 /nfs/dbraw/zinc/80/14/17/1368801417.db2.gz KMPRZMFAZAYXDS-CQSZACIVSA-N 2 2 326.831 3.317 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001197377185 1368801420 /nfs/dbraw/zinc/80/14/20/1368801420.db2.gz KMPRZMFAZAYXDS-CQSZACIVSA-N 2 2 326.831 3.317 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317012785 1384776869 /nfs/dbraw/zinc/77/68/69/1384776869.db2.gz LBGPHVRZCGHEJA-KDOFPFPSSA-N 2 2 340.471 3.095 10 30 EGEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001354459050 1392145571 /nfs/dbraw/zinc/14/55/71/1392145571.db2.gz BTQBQBMASDNPSR-CQSZACIVSA-N 2 2 328.847 3.400 10 30 EGEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001354459050 1392145573 /nfs/dbraw/zinc/14/55/73/1392145573.db2.gz BTQBQBMASDNPSR-CQSZACIVSA-N 2 2 328.847 3.400 10 30 EGEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001479736094 1392347286 /nfs/dbraw/zinc/34/72/86/1392347286.db2.gz QXDCKHPZSPGVGF-RBUKOAKNSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001479736094 1392347288 /nfs/dbraw/zinc/34/72/88/1392347288.db2.gz QXDCKHPZSPGVGF-RBUKOAKNSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480109343 1392588635 /nfs/dbraw/zinc/58/86/35/1392588635.db2.gz AWRTZRICRTYLIG-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484021204 1395193543 /nfs/dbraw/zinc/19/35/43/1395193543.db2.gz ZFOUSRRKUBKWGW-FQEVSTJZSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484021204 1395193547 /nfs/dbraw/zinc/19/35/47/1395193547.db2.gz ZFOUSRRKUBKWGW-FQEVSTJZSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001484021204 1395193549 /nfs/dbraw/zinc/19/35/49/1395193549.db2.gz ZFOUSRRKUBKWGW-FQEVSTJZSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001484021204 1395193552 /nfs/dbraw/zinc/19/35/52/1395193552.db2.gz ZFOUSRRKUBKWGW-FQEVSTJZSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001496429969 1396705710 /nfs/dbraw/zinc/70/57/10/1396705710.db2.gz DVZXVNQQLYYEFL-FUHWJXTLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498487203 1397032243 /nfs/dbraw/zinc/03/22/43/1397032243.db2.gz QJEDHIIVGXMGIG-NVXWUHKLSA-N 2 2 340.471 3.407 10 30 EGEELP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691999568 1405714738 /nfs/dbraw/zinc/71/47/38/1405714738.db2.gz OKSQDXSSIMMSRL-QAPCUYQASA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001732275567 1428509891 /nfs/dbraw/zinc/50/98/91/1428509891.db2.gz ZOFFOZRWHGZPMF-SFHVURJKSA-N 2 2 346.519 3.111 10 30 EGEELP C=C(C)C[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001732478991 1428605135 /nfs/dbraw/zinc/60/51/35/1428605135.db2.gz YFWMZRAWWCRUJA-AEFFLSMTSA-N 2 2 332.492 3.065 10 30 EGEELP CCCCCCC[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699714635 1413128075 /nfs/dbraw/zinc/12/80/75/1413128075.db2.gz RTQFBTDCGFYEAV-UHFFFAOYSA-N 2 2 328.460 3.290 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001699979926 1413425509 /nfs/dbraw/zinc/42/55/09/1413425509.db2.gz SYAXOWKRIZXAFD-WKILWMFISA-N 2 2 340.471 3.265 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001707124709 1417211067 /nfs/dbraw/zinc/21/10/67/1417211067.db2.gz LUWBDTUSIHBKRJ-DLBZAZTESA-N 2 2 344.503 3.010 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001707281242 1417290962 /nfs/dbraw/zinc/29/09/62/1417290962.db2.gz OEEZWRBEXPNOIW-SFHVURJKSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001707281242 1417290964 /nfs/dbraw/zinc/29/09/64/1417290964.db2.gz OEEZWRBEXPNOIW-SFHVURJKSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001713676241 1418428378 /nfs/dbraw/zinc/42/83/78/1418428378.db2.gz AMHPFOKFKPUZAM-OAHLLOKOSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715150242 1419894842 /nfs/dbraw/zinc/89/48/42/1419894842.db2.gz YBCDQOIKJJFRNP-KRWDZBQOSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716063508 1420523043 /nfs/dbraw/zinc/52/30/43/1420523043.db2.gz NYWNHUMWYJABOA-GDBMZVCRSA-N 2 2 326.444 3.017 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001716761844 1420908873 /nfs/dbraw/zinc/90/88/73/1420908873.db2.gz QFUQRHJDJRPUGM-MAUKXSAKSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001717238051 1421206337 /nfs/dbraw/zinc/20/63/37/1421206337.db2.gz HWHQULXZZMEKPF-SFHVURJKSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001717332700 1421268129 /nfs/dbraw/zinc/26/81/29/1421268129.db2.gz YMYCUAAMBDMLMB-MAUKXSAKSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001717332700 1421268130 /nfs/dbraw/zinc/26/81/30/1421268130.db2.gz YMYCUAAMBDMLMB-MAUKXSAKSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001717951750 1421722302 /nfs/dbraw/zinc/72/23/02/1421722302.db2.gz GATMMIOVQMFFKJ-IAGOWNOFSA-N 2 2 343.943 3.028 10 30 EGEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001717951750 1421722304 /nfs/dbraw/zinc/72/23/04/1421722304.db2.gz GATMMIOVQMFFKJ-IAGOWNOFSA-N 2 2 343.943 3.028 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733407009 1429604527 /nfs/dbraw/zinc/60/45/27/1429604527.db2.gz WWIFMGGESMKEHB-MDZRGWNJSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733407009 1429604532 /nfs/dbraw/zinc/60/45/32/1429604532.db2.gz WWIFMGGESMKEHB-MDZRGWNJSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733407009 1429604534 /nfs/dbraw/zinc/60/45/34/1429604534.db2.gz WWIFMGGESMKEHB-MDZRGWNJSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733407009 1429604541 /nfs/dbraw/zinc/60/45/41/1429604541.db2.gz WWIFMGGESMKEHB-MDZRGWNJSA-N 2 2 332.492 3.064 10 30 EGEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001723861159 1424589891 /nfs/dbraw/zinc/58/98/91/1424589891.db2.gz OIFYJDOHDDDMKI-FUHWJXTLSA-N 2 2 338.455 3.031 10 30 EGEELP CCCCCCC[NH+]1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001724021978 1424631836 /nfs/dbraw/zinc/63/18/36/1424631836.db2.gz GULMWDMZXCLTOW-UHFFFAOYSA-N 2 2 334.508 3.202 10 30 EGEELP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725237945 1425831844 /nfs/dbraw/zinc/83/18/44/1425831844.db2.gz RTLRLFDYFDRRAK-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725237945 1425831849 /nfs/dbraw/zinc/83/18/49/1425831849.db2.gz RTLRLFDYFDRRAK-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731295939 1427238603 /nfs/dbraw/zinc/23/86/03/1427238603.db2.gz PQMWLFCHFOBGCE-APWZRJJASA-N 2 2 338.455 3.031 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650750 308008539 /nfs/dbraw/zinc/00/85/39/308008539.db2.gz MEZZBRXPJRTBTJ-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650750 308008540 /nfs/dbraw/zinc/00/85/40/308008540.db2.gz MEZZBRXPJRTBTJ-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650750 308008541 /nfs/dbraw/zinc/00/85/41/308008541.db2.gz MEZZBRXPJRTBTJ-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650750 308008542 /nfs/dbraw/zinc/00/85/42/308008542.db2.gz MEZZBRXPJRTBTJ-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000386137435 324265971 /nfs/dbraw/zinc/26/59/71/324265971.db2.gz PXGXTYWYFMHSPG-QGZVFWFLSA-N 2 2 340.496 3.407 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000386137435 324265975 /nfs/dbraw/zinc/26/59/75/324265975.db2.gz PXGXTYWYFMHSPG-QGZVFWFLSA-N 2 2 340.496 3.407 10 30 EGEELP CC1CC[NH+]([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600716573 460575863 /nfs/dbraw/zinc/57/58/63/460575863.db2.gz YYKKEIUNWGZWSQ-DLBZAZTESA-N 2 2 347.528 3.165 10 30 EGEELP CCc1noc(C)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292969881 455768492 /nfs/dbraw/zinc/76/84/92/455768492.db2.gz MGAYNFHFMJZAIH-UHFFFAOYSA-N 2 2 338.455 3.171 10 30 EGEELP Cc1cccnc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294687730 455823759 /nfs/dbraw/zinc/82/37/59/455823759.db2.gz AHXACMCLOITZCB-UHFFFAOYSA-N 2 2 334.467 3.058 10 30 EGEELP CCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000348815827 456868958 /nfs/dbraw/zinc/86/89/58/456868958.db2.gz GXKGPYQRJTVEKQ-UHFFFAOYSA-N 2 2 327.472 3.071 10 30 EGEELP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000356111074 457455618 /nfs/dbraw/zinc/45/56/18/457455618.db2.gz NLGMKRCCQAXTOO-HNNXBMFYSA-N 2 2 337.389 3.495 10 30 EGEELP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000356111074 457455622 /nfs/dbraw/zinc/45/56/22/457455622.db2.gz NLGMKRCCQAXTOO-HNNXBMFYSA-N 2 2 337.389 3.495 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000356124726 457467324 /nfs/dbraw/zinc/46/73/24/457467324.db2.gz PZFQNKQQHAHOOF-IUODEOHRSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000356124726 457467330 /nfs/dbraw/zinc/46/73/30/457467330.db2.gz PZFQNKQQHAHOOF-IUODEOHRSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124726 457467336 /nfs/dbraw/zinc/46/73/36/457467336.db2.gz PZFQNKQQHAHOOF-IUODEOHRSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124726 457467339 /nfs/dbraw/zinc/46/73/39/457467339.db2.gz PZFQNKQQHAHOOF-IUODEOHRSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306506 457564565 /nfs/dbraw/zinc/56/45/65/457564565.db2.gz RIFSTDHATAVXDM-LRDDRELGSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306506 457564568 /nfs/dbraw/zinc/56/45/68/457564568.db2.gz RIFSTDHATAVXDM-LRDDRELGSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306506 457564570 /nfs/dbraw/zinc/56/45/70/457564570.db2.gz RIFSTDHATAVXDM-LRDDRELGSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306506 457564574 /nfs/dbraw/zinc/56/45/74/457564574.db2.gz RIFSTDHATAVXDM-LRDDRELGSA-N 2 2 325.378 3.349 10 30 EGEELP N#CC1(c2ccc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)cc2)CC1 ZINC000594920813 459175570 /nfs/dbraw/zinc/17/55/70/459175570.db2.gz ATIZTMMCUKZPCH-UHFFFAOYSA-N 2 2 346.478 3.391 10 30 EGEELP N#CC1(c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000594924644 459178314 /nfs/dbraw/zinc/17/83/14/459178314.db2.gz KKMLDWWVTIUWJL-UHFFFAOYSA-N 2 2 332.451 3.395 10 30 EGEELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592120984 459528155 /nfs/dbraw/zinc/52/81/55/459528155.db2.gz LHIXXDONBVMCMV-FQEVSTJZSA-N 2 2 334.467 3.344 10 30 EGEELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592120984 459528157 /nfs/dbraw/zinc/52/81/57/459528157.db2.gz LHIXXDONBVMCMV-FQEVSTJZSA-N 2 2 334.467 3.344 10 30 EGEELP CCCCc1[nH]c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2[nH+]1 ZINC000594440685 460220978 /nfs/dbraw/zinc/22/09/78/460220978.db2.gz HTOVBOGZOMEALO-CQSZACIVSA-N 2 2 327.432 3.255 10 30 EGEELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658290 461909841 /nfs/dbraw/zinc/90/98/41/461909841.db2.gz DMRJQIVPBPZODS-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658290 461909845 /nfs/dbraw/zinc/90/98/45/461909845.db2.gz DMRJQIVPBPZODS-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658290 461909849 /nfs/dbraw/zinc/90/98/49/461909849.db2.gz DMRJQIVPBPZODS-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658290 461909853 /nfs/dbraw/zinc/90/98/53/461909853.db2.gz DMRJQIVPBPZODS-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181688168 528501888 /nfs/dbraw/zinc/50/18/88/528501888.db2.gz PHPFGCJUIVFIOK-OAQYLSRUSA-N 2 2 342.531 3.089 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C=[NH+]Nc2ccc(F)cn2)CC1 ZINC000731321473 575065753 /nfs/dbraw/zinc/06/57/53/575065753.db2.gz JTZSUWQBMYJDIX-UHFFFAOYSA-N 2 2 341.434 3.199 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524419 1303486691 /nfs/dbraw/zinc/48/66/91/1303486691.db2.gz KKFZWLXKEBZULG-BVSLBCMMSA-N 3 2 339.527 3.280 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524419 1303486695 /nfs/dbraw/zinc/48/66/95/1303486695.db2.gz KKFZWLXKEBZULG-BVSLBCMMSA-N 3 2 339.527 3.280 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373820 1328844541 /nfs/dbraw/zinc/84/45/41/1328844541.db2.gz NBURJCYXTSWAFZ-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373820 1328844543 /nfs/dbraw/zinc/84/45/43/1328844543.db2.gz NBURJCYXTSWAFZ-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373820 1328844545 /nfs/dbraw/zinc/84/45/45/1328844545.db2.gz NBURJCYXTSWAFZ-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373820 1328844549 /nfs/dbraw/zinc/84/45/49/1328844549.db2.gz NBURJCYXTSWAFZ-INIZCTEOSA-N 2 2 340.496 3.277 10 30 EGEELP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000926447899 1325558395 /nfs/dbraw/zinc/55/83/95/1325558395.db2.gz IFZBVJJBNGKCNA-MRXNPFEDSA-N 2 2 333.501 3.132 10 30 EGEELP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000926733534 1327690943 /nfs/dbraw/zinc/69/09/43/1327690943.db2.gz VPLIOTVFWQPBHL-IBGZPJMESA-N 2 2 327.472 3.427 10 30 EGEELP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000865699880 1329730584 /nfs/dbraw/zinc/73/05/84/1329730584.db2.gz LGHVBQOFWPQBQN-WOJBJXKFSA-N 2 2 341.499 3.052 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001327883829 1388615386 /nfs/dbraw/zinc/61/53/86/1388615386.db2.gz JOMPTQAYKMUAMF-DLBZAZTESA-N 2 2 340.471 3.131 10 30 EGEELP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001175758007 1385397295 /nfs/dbraw/zinc/39/72/95/1385397295.db2.gz JGFQKHCGIZSYBQ-FQEVSTJZSA-N 2 2 341.499 3.322 10 30 EGEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731553 1392895423 /nfs/dbraw/zinc/89/54/23/1392895423.db2.gz PFQSGIYXAOJQPJ-MOPGFXCFSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731553 1392895427 /nfs/dbraw/zinc/89/54/27/1392895427.db2.gz PFQSGIYXAOJQPJ-MOPGFXCFSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481333829 1393165757 /nfs/dbraw/zinc/16/57/57/1393165757.db2.gz GTHNCHCBDQHGJQ-MJGOQNOKSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481407759 1394262775 /nfs/dbraw/zinc/26/27/75/1394262775.db2.gz GUCCTASEVLDVRR-MSOLQXFVSA-N 2 2 332.492 3.113 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481407759 1394262779 /nfs/dbraw/zinc/26/27/79/1394262779.db2.gz GUCCTASEVLDVRR-MSOLQXFVSA-N 2 2 332.492 3.113 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491252826 1394492426 /nfs/dbraw/zinc/49/24/26/1394492426.db2.gz SHZUVYPIKHXTSB-ZWKOTPCHSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692129490 1405787803 /nfs/dbraw/zinc/78/78/03/1405787803.db2.gz VONITWYXCTYDKZ-QZTJIDSGSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713351141 1417969780 /nfs/dbraw/zinc/96/97/80/1417969780.db2.gz YODBQQRKEYNUDH-CRAIPNDOSA-N 2 2 329.488 3.413 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001713517163 1418254607 /nfs/dbraw/zinc/25/46/07/1418254607.db2.gz DPFVREAOIKYWDR-MSOLQXFVSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001713517163 1418254612 /nfs/dbraw/zinc/25/46/12/1418254612.db2.gz DPFVREAOIKYWDR-MSOLQXFVSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713517163 1418254615 /nfs/dbraw/zinc/25/46/15/1418254615.db2.gz DPFVREAOIKYWDR-MSOLQXFVSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713517163 1418254619 /nfs/dbraw/zinc/25/46/19/1418254619.db2.gz DPFVREAOIKYWDR-MSOLQXFVSA-N 2 2 349.906 3.013 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001716051521 1420516030 /nfs/dbraw/zinc/51/60/30/1420516030.db2.gz ZMBQAOXZEYSBFU-IEBWSBKVSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001716051521 1420516031 /nfs/dbraw/zinc/51/60/31/1420516031.db2.gz ZMBQAOXZEYSBFU-IEBWSBKVSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001716051521 1420516033 /nfs/dbraw/zinc/51/60/33/1420516033.db2.gz ZMBQAOXZEYSBFU-IEBWSBKVSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001716051521 1420516035 /nfs/dbraw/zinc/51/60/35/1420516035.db2.gz ZMBQAOXZEYSBFU-IEBWSBKVSA-N 2 2 344.503 3.012 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001723727488 1424552134 /nfs/dbraw/zinc/55/21/34/1424552134.db2.gz SSLQIJZPJRRHOB-FQEVSTJZSA-N 2 2 346.519 3.155 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001723727488 1424552136 /nfs/dbraw/zinc/55/21/36/1424552136.db2.gz SSLQIJZPJRRHOB-FQEVSTJZSA-N 2 2 346.519 3.155 10 30 EGEELP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001724651978 1425014040 /nfs/dbraw/zinc/01/40/40/1425014040.db2.gz NIEADLBVRSOCEX-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001724651978 1425014048 /nfs/dbraw/zinc/01/40/48/1425014048.db2.gz NIEADLBVRSOCEX-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001725613075 1426273633 /nfs/dbraw/zinc/27/36/33/1426273633.db2.gz AUTBXJQNPDISOF-RCCFBDPRSA-N 2 2 346.519 3.139 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725649016 1426331689 /nfs/dbraw/zinc/33/16/89/1426331689.db2.gz CKZXKVLERXBXIQ-MSOLQXFVSA-N 2 2 329.488 3.461 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001725660142 1426342919 /nfs/dbraw/zinc/34/29/19/1426342919.db2.gz DRRJNUSOXVXCAB-JFIYKMOQSA-N 2 2 344.503 3.086 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001725660142 1426342921 /nfs/dbraw/zinc/34/29/21/1426342921.db2.gz DRRJNUSOXVXCAB-JFIYKMOQSA-N 2 2 344.503 3.086 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731750204 1427844622 /nfs/dbraw/zinc/84/46/22/1427844622.db2.gz SMGSFLFFHWLMQK-OAHLLOKOSA-N 2 2 346.862 3.290 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731750204 1427844623 /nfs/dbraw/zinc/84/46/23/1427844623.db2.gz SMGSFLFFHWLMQK-OAHLLOKOSA-N 2 2 346.862 3.290 10 30 EGEELP CCCCCCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001733695654 1429913616 /nfs/dbraw/zinc/91/36/16/1429913616.db2.gz LILTZMHXFPMTNV-UHFFFAOYSA-N 2 2 346.519 3.155 10 30 EGEELP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308195 277156063 /nfs/dbraw/zinc/15/60/63/277156063.db2.gz SONDNFPAHRJWFI-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308195 277156064 /nfs/dbraw/zinc/15/60/64/277156064.db2.gz SONDNFPAHRJWFI-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308195 277156065 /nfs/dbraw/zinc/15/60/65/277156065.db2.gz SONDNFPAHRJWFI-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308195 277156066 /nfs/dbraw/zinc/15/60/66/277156066.db2.gz SONDNFPAHRJWFI-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP CCc1nc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000181725368 455376018 /nfs/dbraw/zinc/37/60/18/455376018.db2.gz IFGFGSIJCSHGER-UHFFFAOYSA-N 2 2 340.496 3.331 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897773 455722711 /nfs/dbraw/zinc/72/27/11/455722711.db2.gz QDHCOLFUCIMKIM-WIYYLYMNSA-N 3 2 327.516 3.137 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268897773 455722715 /nfs/dbraw/zinc/72/27/15/455722715.db2.gz QDHCOLFUCIMKIM-WIYYLYMNSA-N 3 2 327.516 3.137 10 30 EGEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453176 455756562 /nfs/dbraw/zinc/75/65/62/455756562.db2.gz CUNIZYUMCNPDAE-IFMALSPDSA-N 2 2 348.494 3.324 10 30 EGEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453176 455756568 /nfs/dbraw/zinc/75/65/68/455756568.db2.gz CUNIZYUMCNPDAE-IFMALSPDSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453176 455756573 /nfs/dbraw/zinc/75/65/73/455756573.db2.gz CUNIZYUMCNPDAE-IFMALSPDSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453176 455756576 /nfs/dbraw/zinc/75/65/76/455756576.db2.gz CUNIZYUMCNPDAE-IFMALSPDSA-N 2 2 348.494 3.324 10 30 EGEELP Cc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195274249 455940200 /nfs/dbraw/zinc/94/02/00/455940200.db2.gz OIZPPCKGHRATBE-HXUWFJFHSA-N 2 2 334.467 3.216 10 30 EGEELP Cc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195274249 455940205 /nfs/dbraw/zinc/94/02/05/455940205.db2.gz OIZPPCKGHRATBE-HXUWFJFHSA-N 2 2 334.467 3.216 10 30 EGEELP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195274249 455940209 /nfs/dbraw/zinc/94/02/09/455940209.db2.gz OIZPPCKGHRATBE-HXUWFJFHSA-N 2 2 334.467 3.216 10 30 EGEELP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195274249 455940215 /nfs/dbraw/zinc/94/02/15/455940215.db2.gz OIZPPCKGHRATBE-HXUWFJFHSA-N 2 2 334.467 3.216 10 30 EGEELP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306507 457564005 /nfs/dbraw/zinc/56/40/05/457564005.db2.gz RIFSTDHATAVXDM-MLGOLLRUSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306507 457564010 /nfs/dbraw/zinc/56/40/10/457564010.db2.gz RIFSTDHATAVXDM-MLGOLLRUSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306507 457564018 /nfs/dbraw/zinc/56/40/18/457564018.db2.gz RIFSTDHATAVXDM-MLGOLLRUSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306507 457564022 /nfs/dbraw/zinc/56/40/22/457564022.db2.gz RIFSTDHATAVXDM-MLGOLLRUSA-N 2 2 325.378 3.349 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594617542 459116488 /nfs/dbraw/zinc/11/64/88/459116488.db2.gz VWGFQURBIKIYTH-FQEVSTJZSA-N 2 2 341.499 3.174 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594617542 459116493 /nfs/dbraw/zinc/11/64/93/459116493.db2.gz VWGFQURBIKIYTH-FQEVSTJZSA-N 2 2 341.499 3.174 10 30 EGEELP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000594982592 459204991 /nfs/dbraw/zinc/20/49/91/459204991.db2.gz AXRHWSSJXGMIOA-JXFKEZNVSA-N 2 2 327.472 3.070 10 30 EGEELP COc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1C#N ZINC000619654040 460405622 /nfs/dbraw/zinc/40/56/22/460405622.db2.gz FCQLCVYTDVNNDG-LJQANCHMSA-N 2 2 346.434 3.374 10 30 EGEELP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000922839960 1322630531 /nfs/dbraw/zinc/63/05/31/1322630531.db2.gz VWLDAZZGMIIDHA-BEFAXECRSA-N 2 2 329.513 3.396 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001323150109 1387303085 /nfs/dbraw/zinc/30/30/85/1387303085.db2.gz PQFZXGDIRJLIFQ-ZWKOTPCHSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001283449724 1378945684 /nfs/dbraw/zinc/94/56/84/1378945684.db2.gz PRARAJBUMJYXOA-MRXNPFEDSA-N 2 2 328.460 3.263 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001319695562 1386256117 /nfs/dbraw/zinc/25/61/17/1386256117.db2.gz GHNBGZGGNZNQRZ-CRAIPNDOSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001332389220 1390103660 /nfs/dbraw/zinc/10/36/60/1390103660.db2.gz XAFRDIIHINCVAB-WBVHZDCISA-N 2 2 346.519 3.108 10 30 EGEELP C=CCCC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001490406363 1394216846 /nfs/dbraw/zinc/21/68/46/1394216846.db2.gz DYNVXTSTQOKHOL-UHFFFAOYSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001490761404 1394323764 /nfs/dbraw/zinc/32/37/64/1394323764.db2.gz BOTHFIPDUVTPGM-KRWDZBQOSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001490761404 1394323769 /nfs/dbraw/zinc/32/37/69/1394323769.db2.gz BOTHFIPDUVTPGM-KRWDZBQOSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765804 1394328761 /nfs/dbraw/zinc/32/87/61/1394328761.db2.gz HKEGPJCKRGXOTP-RBUKOAKNSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765804 1394328764 /nfs/dbraw/zinc/32/87/64/1394328764.db2.gz HKEGPJCKRGXOTP-RBUKOAKNSA-N 2 2 346.519 3.217 10 30 EGEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001482505200 1395058782 /nfs/dbraw/zinc/05/87/82/1395058782.db2.gz BUHANNVPIRHTSC-UHFFFAOYSA-N 2 2 341.499 3.204 10 30 EGEELP C#CCC[N@H+](C)CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001482505200 1395058788 /nfs/dbraw/zinc/05/87/88/1395058788.db2.gz BUHANNVPIRHTSC-UHFFFAOYSA-N 2 2 341.499 3.204 10 30 EGEELP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691999566 1405714874 /nfs/dbraw/zinc/71/48/74/1405714874.db2.gz OKSQDXSSIMMSRL-CRAIPNDOSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732542565 1428693463 /nfs/dbraw/zinc/69/34/63/1428693463.db2.gz UZAZJDFPSVUXAD-AEFFLSMTSA-N 2 2 340.471 3.131 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001700872849 1414526454 /nfs/dbraw/zinc/52/64/54/1414526454.db2.gz JNBIHZHMUPWJJA-GBESFXJTSA-N 2 2 346.519 3.070 10 30 EGEELP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713143730 1417726219 /nfs/dbraw/zinc/72/62/19/1417726219.db2.gz LYAPNNRXAWPKLK-QRVBRYPASA-N 2 2 344.503 3.256 10 30 EGEELP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001713143730 1417726220 /nfs/dbraw/zinc/72/62/20/1417726220.db2.gz LYAPNNRXAWPKLK-QRVBRYPASA-N 2 2 344.503 3.256 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220549 1429340897 /nfs/dbraw/zinc/34/08/97/1429340897.db2.gz GIWRRRVWXVNKMZ-QFBILLFUSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220549 1429340901 /nfs/dbraw/zinc/34/09/01/1429340901.db2.gz GIWRRRVWXVNKMZ-QFBILLFUSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015687 1419744268 /nfs/dbraw/zinc/74/42/68/1419744268.db2.gz CJESOUWLXXPYEU-GDBMZVCRSA-N 2 2 326.444 3.064 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015687 1419744270 /nfs/dbraw/zinc/74/42/70/1419744270.db2.gz CJESOUWLXXPYEU-GDBMZVCRSA-N 2 2 326.444 3.064 10 30 EGEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001715484243 1420164166 /nfs/dbraw/zinc/16/41/66/1420164166.db2.gz ZCPOXCLBEHFWTF-UHFFFAOYSA-N 2 2 346.519 3.063 10 30 EGEELP C=CCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001715484243 1420164169 /nfs/dbraw/zinc/16/41/69/1420164169.db2.gz ZCPOXCLBEHFWTF-UHFFFAOYSA-N 2 2 346.519 3.063 10 30 EGEELP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328654458 258019324 /nfs/dbraw/zinc/01/93/24/258019324.db2.gz XLYPBLCLMVEREI-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328654458 258019325 /nfs/dbraw/zinc/01/93/25/258019325.db2.gz XLYPBLCLMVEREI-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[NH+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328654458 258019326 /nfs/dbraw/zinc/01/93/26/258019326.db2.gz XLYPBLCLMVEREI-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[NH+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328654458 258019327 /nfs/dbraw/zinc/01/93/27/258019327.db2.gz XLYPBLCLMVEREI-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189906142 267181744 /nfs/dbraw/zinc/18/17/44/267181744.db2.gz USNVSQZXLUNTQT-HNNXBMFYSA-N 2 2 345.406 3.033 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245573310 455334582 /nfs/dbraw/zinc/33/45/82/455334582.db2.gz YWSVKNGSRILQON-WMZOPIPTSA-N 2 2 336.439 3.306 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245573310 455334587 /nfs/dbraw/zinc/33/45/87/455334587.db2.gz YWSVKNGSRILQON-WMZOPIPTSA-N 2 2 336.439 3.306 10 30 EGEELP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCCC1)c1ccccc1 ZINC000600726499 460580484 /nfs/dbraw/zinc/58/04/84/460580484.db2.gz LQHQRBJSEQWDPN-MJGOQNOKSA-N 2 2 341.499 3.294 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123843183 454680814 /nfs/dbraw/zinc/68/08/14/454680814.db2.gz YDCABBHAZRURAO-HOTGVXAUSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123843183 454680816 /nfs/dbraw/zinc/68/08/16/454680816.db2.gz YDCABBHAZRURAO-HOTGVXAUSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123843183 454680821 /nfs/dbraw/zinc/68/08/21/454680821.db2.gz YDCABBHAZRURAO-HOTGVXAUSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123843183 454680824 /nfs/dbraw/zinc/68/08/24/454680824.db2.gz YDCABBHAZRURAO-HOTGVXAUSA-N 2 2 347.528 3.318 10 30 EGEELP CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271917315 455798904 /nfs/dbraw/zinc/79/89/04/455798904.db2.gz ZFHQULXTNKDJRI-CTNGQTDRSA-N 2 2 341.499 3.173 10 30 EGEELP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195274262 455939812 /nfs/dbraw/zinc/93/98/12/455939812.db2.gz OIZPPCKGHRATBE-FQEVSTJZSA-N 2 2 334.467 3.216 10 30 EGEELP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195274262 455939818 /nfs/dbraw/zinc/93/98/18/455939818.db2.gz OIZPPCKGHRATBE-FQEVSTJZSA-N 2 2 334.467 3.216 10 30 EGEELP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195274262 455939821 /nfs/dbraw/zinc/93/98/21/455939821.db2.gz OIZPPCKGHRATBE-FQEVSTJZSA-N 2 2 334.467 3.216 10 30 EGEELP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195274262 455939834 /nfs/dbraw/zinc/93/98/34/455939834.db2.gz OIZPPCKGHRATBE-FQEVSTJZSA-N 2 2 334.467 3.216 10 30 EGEELP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462785161 458653035 /nfs/dbraw/zinc/65/30/35/458653035.db2.gz NGFWUIIJOYKDGF-UHFFFAOYSA-N 2 2 330.472 3.382 10 30 EGEELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592120985 459527995 /nfs/dbraw/zinc/52/79/95/459527995.db2.gz LHIXXDONBVMCMV-HXUWFJFHSA-N 2 2 334.467 3.344 10 30 EGEELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592120985 459528000 /nfs/dbraw/zinc/52/80/00/459528000.db2.gz LHIXXDONBVMCMV-HXUWFJFHSA-N 2 2 334.467 3.344 10 30 EGEELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000596648821 459713588 /nfs/dbraw/zinc/71/35/88/459713588.db2.gz FYFWKCNYOFOHJO-UHMOLFJZSA-N 2 2 327.472 3.203 10 30 EGEELP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C(F)(F)F)c1 ZINC000576435283 460140724 /nfs/dbraw/zinc/14/07/24/460140724.db2.gz MYQNBYSMJYBKIV-UHFFFAOYSA-N 2 2 334.345 3.400 10 30 EGEELP COC1CC[NH+](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000611255225 460318700 /nfs/dbraw/zinc/31/87/00/460318700.db2.gz JELYWAFFVXPQPR-UHFFFAOYSA-N 2 2 341.499 3.091 10 30 EGEELP C=CC[C@@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC[NH2+]1 ZINC000662802111 461374740 /nfs/dbraw/zinc/37/47/40/461374740.db2.gz YJSYPUKZFLIMSP-NRFANRHFSA-N 2 2 348.450 3.239 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000662079659 462520574 /nfs/dbraw/zinc/52/05/74/462520574.db2.gz LJHFDCYNIJPQAA-KSZLIROESA-N 2 2 325.456 3.197 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000662079659 462520575 /nfs/dbraw/zinc/52/05/75/462520575.db2.gz LJHFDCYNIJPQAA-KSZLIROESA-N 2 2 325.456 3.197 10 30 EGEELP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000700717757 1298178339 /nfs/dbraw/zinc/17/83/39/1298178339.db2.gz FVFGVTXPPKBGGL-VXKWHMMOSA-N 2 2 331.463 3.431 10 30 EGEELP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877743675 1299520294 /nfs/dbraw/zinc/52/02/94/1299520294.db2.gz LTUMCWOYSMOKMV-MSOLQXFVSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877743675 1299520300 /nfs/dbraw/zinc/52/03/00/1299520300.db2.gz LTUMCWOYSMOKMV-MSOLQXFVSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877743675 1299520312 /nfs/dbraw/zinc/52/03/12/1299520312.db2.gz LTUMCWOYSMOKMV-MSOLQXFVSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1OC ZINC000877743675 1299520317 /nfs/dbraw/zinc/52/03/17/1299520317.db2.gz LTUMCWOYSMOKMV-MSOLQXFVSA-N 2 2 330.472 3.176 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926785487 1327717131 /nfs/dbraw/zinc/71/71/31/1327717131.db2.gz LREGAVFGSZZCNR-PZJWPPBQSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926785487 1327717139 /nfs/dbraw/zinc/71/71/39/1327717139.db2.gz LREGAVFGSZZCNR-PZJWPPBQSA-N 2 2 338.499 3.134 10 30 EGEELP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1O ZINC000866289778 1330091314 /nfs/dbraw/zinc/09/13/14/1330091314.db2.gz LDBUOTAJIXTMLJ-OAHLLOKOSA-N 2 2 336.439 3.226 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001284292305 1379680201 /nfs/dbraw/zinc/68/02/01/1379680201.db2.gz FLKOTQGAIYOLOZ-ZWKOTPCHSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317217068 1384996905 /nfs/dbraw/zinc/99/69/05/1384996905.db2.gz FDKIHYDUABZTRD-GTPINHCMSA-N 2 2 340.471 3.320 10 30 EGEELP Cc1csc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2nc(C)cs2)n1 ZINC001345228702 1390850273 /nfs/dbraw/zinc/85/02/73/1390850273.db2.gz HLCREOQBRILIFD-KBPBESRZSA-N 2 2 334.514 3.221 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001482429194 1394989515 /nfs/dbraw/zinc/98/95/15/1394989515.db2.gz YIJOVJBVYSXQAA-CRAIPNDOSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484104260 1395253307 /nfs/dbraw/zinc/25/33/07/1395253307.db2.gz MQFPWCWDASTIMP-HXUWFJFHSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492160433 1396310105 /nfs/dbraw/zinc/31/01/05/1396310105.db2.gz XMQVRLMSPSXCBB-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492160433 1396310106 /nfs/dbraw/zinc/31/01/06/1396310106.db2.gz XMQVRLMSPSXCBB-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691300612 1405196240 /nfs/dbraw/zinc/19/62/40/1405196240.db2.gz DNWWXGIOJDNJLY-IRXDYDNUSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013931 1405733437 /nfs/dbraw/zinc/73/34/37/1405733437.db2.gz OFQDIUHLEKLTHU-IBGZPJMESA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013931 1405733439 /nfs/dbraw/zinc/73/34/39/1405733439.db2.gz OFQDIUHLEKLTHU-IBGZPJMESA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)C[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001732019482 1428236330 /nfs/dbraw/zinc/23/63/30/1428236330.db2.gz JFWIFHFHXIWLJE-IBGZPJMESA-N 2 2 348.450 3.280 10 30 EGEELP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001700526520 1414188445 /nfs/dbraw/zinc/18/84/45/1414188445.db2.gz ZMRLDRCPWODRHC-ZWKOTPCHSA-N 2 2 332.492 3.017 10 30 EGEELP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001700526520 1414188449 /nfs/dbraw/zinc/18/84/49/1414188449.db2.gz ZMRLDRCPWODRHC-ZWKOTPCHSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732617783 1428880133 /nfs/dbraw/zinc/88/01/33/1428880133.db2.gz IOQGHVAZUSUXRR-GDBMZVCRSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001717247370 1421218701 /nfs/dbraw/zinc/21/87/01/1421218701.db2.gz GBWHMQSLDCFUQC-HXUWFJFHSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001717247370 1421218702 /nfs/dbraw/zinc/21/87/02/1421218702.db2.gz GBWHMQSLDCFUQC-HXUWFJFHSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001733432033 1429638883 /nfs/dbraw/zinc/63/88/83/1429638883.db2.gz MQCDDOAWVKJYHE-OXJNMPFZSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944286 1424270678 /nfs/dbraw/zinc/27/06/78/1424270678.db2.gz UAXUVEHXSZFBOP-DOTOQJQBSA-N 2 2 340.471 3.407 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733814344 1430094475 /nfs/dbraw/zinc/09/44/75/1430094475.db2.gz UJXVABSJQZKRIU-HXUWFJFHSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733814344 1430094479 /nfs/dbraw/zinc/09/44/79/1430094479.db2.gz UJXVABSJQZKRIU-HXUWFJFHSA-N 2 2 346.519 3.237 10 30 EGEELP C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328653139 258019144 /nfs/dbraw/zinc/01/91/44/258019144.db2.gz WTORLLONZDZQNY-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328653139 258019146 /nfs/dbraw/zinc/01/91/46/258019146.db2.gz WTORLLONZDZQNY-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[NH+](Cc1ccc(F)cc1C#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328653139 258019148 /nfs/dbraw/zinc/01/91/48/258019148.db2.gz WTORLLONZDZQNY-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[NH+](Cc1ccc(F)cc1C#N)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328653139 258019150 /nfs/dbraw/zinc/01/91/50/258019150.db2.gz WTORLLONZDZQNY-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP N#Cc1ccccc1Cn1cccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000189632012 153085066 /nfs/dbraw/zinc/08/50/66/153085066.db2.gz YWCYGYKGAGCTOI-UHFFFAOYSA-N 2 2 348.494 3.468 10 30 EGEELP C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386074275 324265832 /nfs/dbraw/zinc/26/58/32/324265832.db2.gz CBVVPXXKTKMMID-HOCLYGCPSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386074275 324265838 /nfs/dbraw/zinc/26/58/38/324265838.db2.gz CBVVPXXKTKMMID-HOCLYGCPSA-N 2 2 326.469 3.015 10 30 EGEELP CCc1[nH+]c2cc(C[NH2+]C[C@H](O)CC3(C#N)CC3)ccc2n1C1CC1 ZINC000600743100 460587840 /nfs/dbraw/zinc/58/78/40/460587840.db2.gz ZMIXTMJTMBBDKP-MRXNPFEDSA-N 2 2 338.455 3.078 10 30 EGEELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000139859136 454812880 /nfs/dbraw/zinc/81/28/80/454812880.db2.gz GXGAGOUJRIPLBZ-FQEVSTJZSA-N 2 2 335.451 3.321 10 30 EGEELP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000139859136 454812884 /nfs/dbraw/zinc/81/28/84/454812884.db2.gz GXGAGOUJRIPLBZ-FQEVSTJZSA-N 2 2 335.451 3.321 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190467914 455325260 /nfs/dbraw/zinc/32/52/60/455325260.db2.gz PTTBMMMNYQLUBI-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190467914 455325263 /nfs/dbraw/zinc/32/52/63/455325263.db2.gz PTTBMMMNYQLUBI-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000190467914 455325268 /nfs/dbraw/zinc/32/52/68/455325268.db2.gz PTTBMMMNYQLUBI-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190467914 455325270 /nfs/dbraw/zinc/32/52/70/455325270.db2.gz PTTBMMMNYQLUBI-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000190478264 455328062 /nfs/dbraw/zinc/32/80/62/455328062.db2.gz HCPKCFBLRPLZCN-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000190478264 455328066 /nfs/dbraw/zinc/32/80/66/455328066.db2.gz HCPKCFBLRPLZCN-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000190478264 455328068 /nfs/dbraw/zinc/32/80/68/455328068.db2.gz HCPKCFBLRPLZCN-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000190478264 455328072 /nfs/dbraw/zinc/32/80/72/455328072.db2.gz HCPKCFBLRPLZCN-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272344937 455921146 /nfs/dbraw/zinc/92/11/46/455921146.db2.gz ZJMLONSZMDDTPR-UHFFFAOYSA-N 2 2 346.438 3.061 10 30 EGEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122396 457465297 /nfs/dbraw/zinc/46/52/97/457465297.db2.gz GXFGZQOPESVLAF-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122396 457465307 /nfs/dbraw/zinc/46/53/07/457465307.db2.gz GXFGZQOPESVLAF-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122396 457465315 /nfs/dbraw/zinc/46/53/15/457465315.db2.gz GXFGZQOPESVLAF-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122396 457465321 /nfs/dbraw/zinc/46/53/21/457465321.db2.gz GXFGZQOPESVLAF-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594495716 459060591 /nfs/dbraw/zinc/06/05/91/459060591.db2.gz ULQRXBNCGLIVAP-LJQANCHMSA-N 2 2 328.456 3.091 10 30 EGEELP C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000521252312 459135180 /nfs/dbraw/zinc/13/51/80/459135180.db2.gz FMXSNWIYYWSCDV-WMLDXEAASA-N 2 2 342.443 3.209 10 30 EGEELP C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000521252312 459135184 /nfs/dbraw/zinc/13/51/84/459135184.db2.gz FMXSNWIYYWSCDV-WMLDXEAASA-N 2 2 342.443 3.209 10 30 EGEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059199 459595584 /nfs/dbraw/zinc/59/55/84/459595584.db2.gz RSZQMFVLJCGNOU-PMACEKPBSA-N 2 2 347.547 3.164 10 30 EGEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059199 459595588 /nfs/dbraw/zinc/59/55/88/459595588.db2.gz RSZQMFVLJCGNOU-PMACEKPBSA-N 2 2 347.547 3.164 10 30 EGEELP C[NH+](C)[C@H]1CCc2ccccc2N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000598940821 460096434 /nfs/dbraw/zinc/09/64/34/460096434.db2.gz AEDYSVFGKWNGPM-SFHVURJKSA-N 2 2 345.450 3.089 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000599084469 460156313 /nfs/dbraw/zinc/15/63/13/460156313.db2.gz RRUUTMRUWVMVNR-QGZVFWFLSA-N 2 2 327.472 3.196 10 30 EGEELP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000883173917 1302284792 /nfs/dbraw/zinc/28/47/92/1302284792.db2.gz WYGJDYSODRMZHT-SFTDATJTSA-N 2 2 344.499 3.122 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373821 1328844635 /nfs/dbraw/zinc/84/46/35/1328844635.db2.gz NBURJCYXTSWAFZ-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373821 1328844636 /nfs/dbraw/zinc/84/46/36/1328844636.db2.gz NBURJCYXTSWAFZ-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373821 1328844637 /nfs/dbraw/zinc/84/46/37/1328844637.db2.gz NBURJCYXTSWAFZ-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cncc(C#N)c3)C2)s1 ZINC000930373821 1328844638 /nfs/dbraw/zinc/84/46/38/1328844638.db2.gz NBURJCYXTSWAFZ-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866382105 1330104432 /nfs/dbraw/zinc/10/44/32/1330104432.db2.gz SPUOQYCDELGIRS-ZTNFWEORSA-N 2 2 335.451 3.260 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000866382105 1330104433 /nfs/dbraw/zinc/10/44/33/1330104433.db2.gz SPUOQYCDELGIRS-ZTNFWEORSA-N 2 2 335.451 3.260 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324947508 1387844477 /nfs/dbraw/zinc/84/44/77/1387844477.db2.gz KDAWAKCWLSZBDJ-HXUWFJFHSA-N 2 2 340.471 3.132 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324947508 1387844481 /nfs/dbraw/zinc/84/44/81/1387844481.db2.gz KDAWAKCWLSZBDJ-HXUWFJFHSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001328080699 1388663268 /nfs/dbraw/zinc/66/32/68/1388663268.db2.gz HRJBJNQXXKNNRF-KRWDZBQOSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001328080699 1388663273 /nfs/dbraw/zinc/66/32/73/1388663273.db2.gz HRJBJNQXXKNNRF-KRWDZBQOSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106080 1384869961 /nfs/dbraw/zinc/86/99/61/1384869961.db2.gz QXCWLJHMXLUJPA-QZTJIDSGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106080 1384869964 /nfs/dbraw/zinc/86/99/64/1384869964.db2.gz QXCWLJHMXLUJPA-QZTJIDSGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001318646003 1385813759 /nfs/dbraw/zinc/81/37/59/1385813759.db2.gz IUNIZKFUFYDREN-MRXNPFEDSA-N 2 2 340.471 3.321 10 30 EGEELP C=CCCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001319887850 1386364039 /nfs/dbraw/zinc/36/40/39/1386364039.db2.gz ITOHOCXJHYBYKA-UHFFFAOYSA-N 2 2 346.519 3.214 10 30 EGEELP C=CCCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001319887850 1386364043 /nfs/dbraw/zinc/36/40/43/1386364043.db2.gz ITOHOCXJHYBYKA-UHFFFAOYSA-N 2 2 346.519 3.214 10 30 EGEELP C=CC[C@@]1(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCC[NH2+]1 ZINC001343536975 1390721034 /nfs/dbraw/zinc/72/10/34/1390721034.db2.gz SDKRKDVNYVMAJS-UZLBHIALSA-N 2 2 344.503 3.042 10 30 EGEELP C=CC[C@]1(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCC[NH2+]1 ZINC001343536973 1390721080 /nfs/dbraw/zinc/72/10/80/1390721080.db2.gz SDKRKDVNYVMAJS-OXQOHEQNSA-N 2 2 344.503 3.042 10 30 EGEELP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690275939 1404442105 /nfs/dbraw/zinc/44/21/05/1404442105.db2.gz ZGSJRIVNPUJIAH-IYARVYRRSA-N 2 2 340.471 3.240 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691647280 1405380073 /nfs/dbraw/zinc/38/00/73/1405380073.db2.gz ZHADHCCGLSNUKX-QGZVFWFLSA-N 2 2 340.471 3.456 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691647280 1405380077 /nfs/dbraw/zinc/38/00/77/1405380077.db2.gz ZHADHCCGLSNUKX-QGZVFWFLSA-N 2 2 340.471 3.456 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691800951 1405513767 /nfs/dbraw/zinc/51/37/67/1405513767.db2.gz ZDWBBRHQZXOARC-ZTFGCOKTSA-N 2 2 329.488 3.460 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001700018013 1413464782 /nfs/dbraw/zinc/46/47/82/1413464782.db2.gz VBWOJJJTZQAAJQ-RBUKOAKNSA-N 2 2 346.519 3.296 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001700018013 1413464784 /nfs/dbraw/zinc/46/47/84/1413464784.db2.gz VBWOJJJTZQAAJQ-RBUKOAKNSA-N 2 2 346.519 3.296 10 30 EGEELP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001700526514 1414188160 /nfs/dbraw/zinc/18/81/60/1414188160.db2.gz ZMRLDRCPWODRHC-MSOLQXFVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001700526514 1414188163 /nfs/dbraw/zinc/18/81/63/1414188163.db2.gz ZMRLDRCPWODRHC-MSOLQXFVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001707273027 1417279283 /nfs/dbraw/zinc/27/92/83/1417279283.db2.gz LNANALPOGDMLEJ-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001707273027 1417279286 /nfs/dbraw/zinc/27/92/86/1417279286.db2.gz LNANALPOGDMLEJ-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001713517166 1418253965 /nfs/dbraw/zinc/25/39/65/1418253965.db2.gz DPFVREAOIKYWDR-ZWKOTPCHSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001713517166 1418253970 /nfs/dbraw/zinc/25/39/70/1418253970.db2.gz DPFVREAOIKYWDR-ZWKOTPCHSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001713517166 1418253971 /nfs/dbraw/zinc/25/39/71/1418253971.db2.gz DPFVREAOIKYWDR-ZWKOTPCHSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001713517166 1418253976 /nfs/dbraw/zinc/25/39/76/1418253976.db2.gz DPFVREAOIKYWDR-ZWKOTPCHSA-N 2 2 349.906 3.013 10 30 EGEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713891451 1418687450 /nfs/dbraw/zinc/68/74/50/1418687450.db2.gz UURZKJFSGOSTOM-KRWDZBQOSA-N 2 2 340.471 3.003 10 30 EGEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713891451 1418687452 /nfs/dbraw/zinc/68/74/52/1418687452.db2.gz UURZKJFSGOSTOM-KRWDZBQOSA-N 2 2 340.471 3.003 10 30 EGEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713891452 1418687784 /nfs/dbraw/zinc/68/77/84/1418687784.db2.gz UURZKJFSGOSTOM-QGZVFWFLSA-N 2 2 340.471 3.003 10 30 EGEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713891452 1418687788 /nfs/dbraw/zinc/68/77/88/1418687788.db2.gz UURZKJFSGOSTOM-QGZVFWFLSA-N 2 2 340.471 3.003 10 30 EGEELP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001714230622 1419023415 /nfs/dbraw/zinc/02/34/15/1419023415.db2.gz UMFJWZSPZNOPOX-QZTJIDSGSA-N 2 2 332.492 3.019 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488565 1420708625 /nfs/dbraw/zinc/70/86/25/1420708625.db2.gz PGJIMRQXXVKADA-IAGOWNOFSA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488565 1420708626 /nfs/dbraw/zinc/70/86/26/1420708626.db2.gz PGJIMRQXXVKADA-IAGOWNOFSA-N 2 2 340.471 3.277 10 30 EGEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717356373 1421291727 /nfs/dbraw/zinc/29/17/27/1421291727.db2.gz WAHOQDHACRLDHI-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717356373 1421291729 /nfs/dbraw/zinc/29/17/29/1421291729.db2.gz WAHOQDHACRLDHI-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001733295360 1429477930 /nfs/dbraw/zinc/47/79/30/1429477930.db2.gz VZVVSBKRTNMRPH-FQEVSTJZSA-N 2 2 346.519 3.168 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001733295360 1429477932 /nfs/dbraw/zinc/47/79/32/1429477932.db2.gz VZVVSBKRTNMRPH-FQEVSTJZSA-N 2 2 346.519 3.168 10 30 EGEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001733410821 1429609980 /nfs/dbraw/zinc/60/99/80/1429609980.db2.gz VEIQDXAGWAMBDO-HXUWFJFHSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001733410821 1429609982 /nfs/dbraw/zinc/60/99/82/1429609982.db2.gz VEIQDXAGWAMBDO-HXUWFJFHSA-N 2 2 338.455 3.033 10 30 EGEELP C=CC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1CC ZINC001733518508 1429728652 /nfs/dbraw/zinc/72/86/52/1429728652.db2.gz PKJIFJVCQBGQHF-SFHVURJKSA-N 2 2 348.450 3.143 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725136756 1425611808 /nfs/dbraw/zinc/61/18/08/1425611808.db2.gz LPHCJRGVQGERIY-AOCRQIFASA-N 2 2 346.519 3.067 10 30 EGEELP C=CCCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001725746300 1426423892 /nfs/dbraw/zinc/42/38/92/1426423892.db2.gz SLGKHWSBKYAKCG-MRXNPFEDSA-N 2 2 328.460 3.035 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148825 1437916745 /nfs/dbraw/zinc/91/67/45/1437916745.db2.gz VUCNNGMVMZHRAS-RDTXWAMCSA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148825 1437916746 /nfs/dbraw/zinc/91/67/46/1437916746.db2.gz VUCNNGMVMZHRAS-RDTXWAMCSA-N 2 2 340.471 3.358 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001734478481 1438126334 /nfs/dbraw/zinc/12/63/34/1438126334.db2.gz VCALYFJPRDCJJV-HOCLYGCPSA-N 2 2 326.444 3.017 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001734493486 1438131118 /nfs/dbraw/zinc/13/11/18/1438131118.db2.gz BFJOMTGASXOFEG-NUJGCVRESA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001734493486 1438131121 /nfs/dbraw/zinc/13/11/21/1438131121.db2.gz BFJOMTGASXOFEG-NUJGCVRESA-N 2 2 346.519 3.310 10 30 EGEELP N#Cc1ccc(OCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641901 144008804 /nfs/dbraw/zinc/00/88/04/144008804.db2.gz ZGJDPYHLQSCFKT-SFHVURJKSA-N 2 2 336.439 3.156 10 30 EGEELP N#Cc1ccc(OCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641901 144008806 /nfs/dbraw/zinc/00/88/06/144008806.db2.gz ZGJDPYHLQSCFKT-SFHVURJKSA-N 2 2 336.439 3.156 10 30 EGEELP N#Cc1ccccc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346150758 164350322 /nfs/dbraw/zinc/35/03/22/164350322.db2.gz NCGCHYGIQNQGEH-UHFFFAOYSA-N 2 2 349.463 3.128 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000287805877 267089458 /nfs/dbraw/zinc/08/94/58/267089458.db2.gz OSQGSWDECPXJMM-MLGOLLRUSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@H+]1C ZINC000287805877 267089460 /nfs/dbraw/zinc/08/94/60/267089460.db2.gz OSQGSWDECPXJMM-MLGOLLRUSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805877 267089463 /nfs/dbraw/zinc/08/94/63/267089463.db2.gz OSQGSWDECPXJMM-MLGOLLRUSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805877 267089465 /nfs/dbraw/zinc/08/94/65/267089465.db2.gz OSQGSWDECPXJMM-MLGOLLRUSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677852 455225685 /nfs/dbraw/zinc/22/56/85/455225685.db2.gz ABQDFWANNWGIOL-MRXNPFEDSA-N 2 2 332.407 3.474 10 30 EGEELP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180127351 455136504 /nfs/dbraw/zinc/13/65/04/455136504.db2.gz XVDAYIIHKUMJFT-FRIKZZABSA-N 3 2 339.527 3.422 10 30 EGEELP C=CCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000370134720 457557646 /nfs/dbraw/zinc/55/76/46/457557646.db2.gz YDYJQYTVTWLOMC-UHFFFAOYSA-N 2 2 330.472 3.367 10 30 EGEELP C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459414325 458363031 /nfs/dbraw/zinc/36/30/31/458363031.db2.gz YKCXZJQJEZYMPO-HOCLYGCPSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459414325 458363035 /nfs/dbraw/zinc/36/30/35/458363035.db2.gz YKCXZJQJEZYMPO-HOCLYGCPSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000518783956 458893472 /nfs/dbraw/zinc/89/34/72/458893472.db2.gz IMRQWTMJLXNDRS-HDICACEKSA-N 2 2 340.515 3.380 10 30 EGEELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000518783956 458893475 /nfs/dbraw/zinc/89/34/75/458893475.db2.gz IMRQWTMJLXNDRS-HDICACEKSA-N 2 2 340.515 3.380 10 30 EGEELP Cc1ccc(CCC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c[nH+]1 ZINC000529671863 459833670 /nfs/dbraw/zinc/83/36/70/459833670.db2.gz DPWVBRRZEGYLCR-UHFFFAOYSA-N 2 2 335.451 3.490 10 30 EGEELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC(C)(C)C#N)c(C)c1 ZINC000598724973 460007340 /nfs/dbraw/zinc/00/73/40/460007340.db2.gz MUTNSEAFLZDVNB-MJGOQNOKSA-N 2 2 340.471 3.132 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000610994274 460274602 /nfs/dbraw/zinc/27/46/02/460274602.db2.gz XEXRYZNKXNIPNX-QFIPXVFZSA-N 2 2 346.478 3.441 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000610994274 460274604 /nfs/dbraw/zinc/27/46/04/460274604.db2.gz XEXRYZNKXNIPNX-QFIPXVFZSA-N 2 2 346.478 3.441 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccn1 ZINC000610994274 460274607 /nfs/dbraw/zinc/27/46/07/460274607.db2.gz XEXRYZNKXNIPNX-QFIPXVFZSA-N 2 2 346.478 3.441 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000610994274 460274611 /nfs/dbraw/zinc/27/46/11/460274611.db2.gz XEXRYZNKXNIPNX-QFIPXVFZSA-N 2 2 346.478 3.441 10 30 EGEELP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000611438600 460364987 /nfs/dbraw/zinc/36/49/87/460364987.db2.gz DRBJQONZVXDBKH-KRWDZBQOSA-N 2 2 334.467 3.311 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900062 526538157 /nfs/dbraw/zinc/53/81/57/526538157.db2.gz OEZPCWKETGJVRF-IAGOWNOFSA-N 2 2 340.471 3.336 10 30 EGEELP C[NH+]=C(NCCC1=CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953303 1296611128 /nfs/dbraw/zinc/61/11/28/1296611128.db2.gz IBHRIHFMSXYPNI-WMZOPIPTSA-N 2 2 329.492 3.232 10 30 EGEELP C#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000883132478 1302265119 /nfs/dbraw/zinc/26/51/19/1302265119.db2.gz SFMCFVMBXDXRTP-UHFFFAOYSA-N 2 2 329.447 3.294 10 30 EGEELP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1O ZINC000866239561 1330083692 /nfs/dbraw/zinc/08/36/92/1330083692.db2.gz YHLWNLMSUBWYEB-HNNXBMFYSA-N 2 2 339.439 3.055 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745634 1331177064 /nfs/dbraw/zinc/17/70/64/1331177064.db2.gz RFVQCFAZODXZIO-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745634 1331177065 /nfs/dbraw/zinc/17/70/65/1331177065.db2.gz RFVQCFAZODXZIO-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324891852 1387807668 /nfs/dbraw/zinc/80/76/68/1387807668.db2.gz FBJPZGTUZKBTEW-IAGOWNOFSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324891852 1387807670 /nfs/dbraw/zinc/80/76/70/1387807670.db2.gz FBJPZGTUZKBTEW-IAGOWNOFSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327456186 1388524550 /nfs/dbraw/zinc/52/45/50/1388524550.db2.gz YBFPXURMFXXKEW-SFHVURJKSA-N 2 2 346.519 3.407 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC001327581998 1388563017 /nfs/dbraw/zinc/56/30/17/1388563017.db2.gz JUSCUINJBPEXOY-BCDXTJNWSA-N 2 2 331.410 3.156 10 30 EGEELP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284057504 1379409725 /nfs/dbraw/zinc/40/97/25/1379409725.db2.gz MQBWOMNXWVDPPI-NLWGTHIKSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284057504 1379409726 /nfs/dbraw/zinc/40/97/26/1379409726.db2.gz MQBWOMNXWVDPPI-NLWGTHIKSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCCC[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001284533792 1379939740 /nfs/dbraw/zinc/93/97/40/1379939740.db2.gz QXVPCNHCANDGKK-UHFFFAOYSA-N 2 2 342.487 3.391 10 30 EGEELP C=CCCC[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001284533792 1379939746 /nfs/dbraw/zinc/93/97/46/1379939746.db2.gz QXVPCNHCANDGKK-UHFFFAOYSA-N 2 2 342.487 3.391 10 30 EGEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001354459048 1392145440 /nfs/dbraw/zinc/14/54/40/1392145440.db2.gz BTQBQBMASDNPSR-AWEZNQCLSA-N 2 2 328.847 3.400 10 30 EGEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001354459048 1392145441 /nfs/dbraw/zinc/14/54/41/1392145441.db2.gz BTQBQBMASDNPSR-AWEZNQCLSA-N 2 2 328.847 3.400 10 30 EGEELP C=C(C)CC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001480404946 1392742593 /nfs/dbraw/zinc/74/25/93/1392742593.db2.gz JCFZWMZKZUJWFG-UHFFFAOYSA-N 2 2 326.444 3.160 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001732561444 1428751719 /nfs/dbraw/zinc/75/17/19/1428751719.db2.gz XYCWQPIXXGZFAS-KBXCAEBGSA-N 2 2 328.460 3.262 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977383 1418758336 /nfs/dbraw/zinc/75/83/36/1418758336.db2.gz XFKVTLCABAEBSA-ROUUACIJSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977383 1418758339 /nfs/dbraw/zinc/75/83/39/1418758339.db2.gz XFKVTLCABAEBSA-ROUUACIJSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001714136965 1418940570 /nfs/dbraw/zinc/94/05/70/1418940570.db2.gz DWXYKVYEMFINEY-UHFFFAOYSA-N 2 2 326.444 3.161 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714517242 1419243456 /nfs/dbraw/zinc/24/34/56/1419243456.db2.gz MZPPNPBJPKVKAY-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714517242 1419243458 /nfs/dbraw/zinc/24/34/58/1419243458.db2.gz MZPPNPBJPKVKAY-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829932 1420956219 /nfs/dbraw/zinc/95/62/19/1420956219.db2.gz GDRAKFUBIMAOBJ-PXNSSMCTSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829932 1420956222 /nfs/dbraw/zinc/95/62/22/1420956222.db2.gz GDRAKFUBIMAOBJ-PXNSSMCTSA-N 2 2 344.503 3.012 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034043 1421087272 /nfs/dbraw/zinc/08/72/72/1421087272.db2.gz YUBHSPKRILGPNN-MOPGFXCFSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034043 1421087273 /nfs/dbraw/zinc/08/72/73/1421087273.db2.gz YUBHSPKRILGPNN-MOPGFXCFSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034043 1421087274 /nfs/dbraw/zinc/08/72/74/1421087274.db2.gz YUBHSPKRILGPNN-MOPGFXCFSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034043 1421087275 /nfs/dbraw/zinc/08/72/75/1421087275.db2.gz YUBHSPKRILGPNN-MOPGFXCFSA-N 2 2 346.519 3.378 10 30 EGEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001717702459 1421576106 /nfs/dbraw/zinc/57/61/06/1421576106.db2.gz YBBYUSUIJYPYPL-UHFFFAOYSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001717702459 1421576109 /nfs/dbraw/zinc/57/61/09/1421576109.db2.gz YBBYUSUIJYPYPL-UHFFFAOYSA-N 2 2 326.444 3.066 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733407008 1429604755 /nfs/dbraw/zinc/60/47/55/1429604755.db2.gz WWIFMGGESMKEHB-GPMSIDNRSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001733407008 1429604757 /nfs/dbraw/zinc/60/47/57/1429604757.db2.gz WWIFMGGESMKEHB-GPMSIDNRSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733407008 1429604759 /nfs/dbraw/zinc/60/47/59/1429604759.db2.gz WWIFMGGESMKEHB-GPMSIDNRSA-N 2 2 332.492 3.064 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001733407008 1429604763 /nfs/dbraw/zinc/60/47/63/1429604763.db2.gz WWIFMGGESMKEHB-GPMSIDNRSA-N 2 2 332.492 3.064 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050020 1437839742 /nfs/dbraw/zinc/83/97/42/1437839742.db2.gz ZYLKOYXAKMPPEM-IRXDYDNUSA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050020 1437839744 /nfs/dbraw/zinc/83/97/44/1437839744.db2.gz ZYLKOYXAKMPPEM-IRXDYDNUSA-N 2 2 340.471 3.277 10 30 EGEELP CC#CC[NH2+][C@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001734078510 1437866086 /nfs/dbraw/zinc/86/60/86/1437866086.db2.gz KBVFTACHQPMRER-GOSISDBHSA-N 2 2 329.488 3.106 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001734456016 1438113363 /nfs/dbraw/zinc/11/33/63/1438113363.db2.gz WUBASXNHSVBRNL-WMZOPIPTSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001734456016 1438113365 /nfs/dbraw/zinc/11/33/65/1438113365.db2.gz WUBASXNHSVBRNL-WMZOPIPTSA-N 2 2 340.471 3.192 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358566962 166901870 /nfs/dbraw/zinc/90/18/70/166901870.db2.gz INPGNLHEOIDYDL-VHKYSDTDSA-N 2 2 345.462 3.116 10 30 EGEELP C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386074278 324265807 /nfs/dbraw/zinc/26/58/07/324265807.db2.gz CBVVPXXKTKMMID-ZBFHGGJFSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386074278 324265812 /nfs/dbraw/zinc/26/58/12/324265812.db2.gz CBVVPXXKTKMMID-ZBFHGGJFSA-N 2 2 326.469 3.015 10 30 EGEELP C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000247299480 455585197 /nfs/dbraw/zinc/58/51/97/455585197.db2.gz ZOORBVLCWJIVIH-CRAIPNDOSA-N 2 2 341.455 3.409 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273618 455939971 /nfs/dbraw/zinc/93/99/71/455939971.db2.gz MEZZBRXPJRTBTJ-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273618 455939975 /nfs/dbraw/zinc/93/99/75/455939975.db2.gz MEZZBRXPJRTBTJ-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273618 455939976 /nfs/dbraw/zinc/93/99/76/455939976.db2.gz MEZZBRXPJRTBTJ-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273618 455939979 /nfs/dbraw/zinc/93/99/79/455939979.db2.gz MEZZBRXPJRTBTJ-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[NH+](C)[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCSC1 ZINC000271089341 456121576 /nfs/dbraw/zinc/12/15/76/456121576.db2.gz VOISVHYTBGJDAI-SOAGJPPSSA-N 2 2 343.540 3.417 10 30 EGEELP C[C@@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000352838072 456352913 /nfs/dbraw/zinc/35/29/13/456352913.db2.gz PIZFRFWJTPZBKR-GDBMZVCRSA-N 2 2 326.469 3.157 10 30 EGEELP C[C@@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000352838072 456352915 /nfs/dbraw/zinc/35/29/15/456352915.db2.gz PIZFRFWJTPZBKR-GDBMZVCRSA-N 2 2 326.469 3.157 10 30 EGEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122393 457465861 /nfs/dbraw/zinc/46/58/61/457465861.db2.gz GXFGZQOPESVLAF-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122393 457465867 /nfs/dbraw/zinc/46/58/67/457465867.db2.gz GXFGZQOPESVLAF-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122393 457465871 /nfs/dbraw/zinc/46/58/71/457465871.db2.gz GXFGZQOPESVLAF-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122393 457465879 /nfs/dbraw/zinc/46/58/79/457465879.db2.gz GXFGZQOPESVLAF-DOTOQJQBSA-N 2 2 337.389 3.493 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000361230428 457657986 /nfs/dbraw/zinc/65/79/86/457657986.db2.gz DYZBEKSBTASTFZ-CQSZACIVSA-N 2 2 345.878 3.222 10 30 EGEELP C=CC[NH+]1CCC([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449120760 458420961 /nfs/dbraw/zinc/42/09/61/458420961.db2.gz FAWHTYSFBJJXCZ-LJQANCHMSA-N 3 2 341.543 3.322 10 30 EGEELP C=CC[NH+]1CCC(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449120760 458420966 /nfs/dbraw/zinc/42/09/66/458420966.db2.gz FAWHTYSFBJJXCZ-LJQANCHMSA-N 2 2 341.543 3.322 10 30 EGEELP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000594507455 459067961 /nfs/dbraw/zinc/06/79/61/459067961.db2.gz NPNHWIUOMNQJRE-KXBFYZLASA-N 2 2 329.513 3.396 10 30 EGEELP N#CC1(c2ccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000594920808 459175936 /nfs/dbraw/zinc/17/59/36/459175936.db2.gz ASLMIXIMZDZNLM-UHFFFAOYSA-N 2 2 346.478 3.391 10 30 EGEELP C[C@@H](CSCCF)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595046658 459226945 /nfs/dbraw/zinc/22/69/45/459226945.db2.gz MFUSQXBBXWUPOZ-HNNXBMFYSA-N 2 2 335.492 3.203 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564209825 459771339 /nfs/dbraw/zinc/77/13/39/459771339.db2.gz JJTBRHLKPAAZHK-NRFANRHFSA-N 3 2 339.527 3.424 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564209825 459771343 /nfs/dbraw/zinc/77/13/43/459771343.db2.gz JJTBRHLKPAAZHK-NRFANRHFSA-N 3 2 339.527 3.424 10 30 EGEELP C=C(C)COc1cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639396063 461908478 /nfs/dbraw/zinc/90/84/78/461908478.db2.gz GNBXNRCQQKPQDK-GOSISDBHSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639396063 461908481 /nfs/dbraw/zinc/90/84/81/461908481.db2.gz GNBXNRCQQKPQDK-GOSISDBHSA-N 2 2 330.472 3.176 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000872109031 1296735189 /nfs/dbraw/zinc/73/51/89/1296735189.db2.gz GDXLKPGKMVTJPG-JBACZVJFSA-N 2 2 339.483 3.070 10 30 EGEELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCOCC1 ZINC000926961840 1327798602 /nfs/dbraw/zinc/79/86/02/1327798602.db2.gz YNBVENCBKWQELL-UXHICEINSA-N 2 2 341.499 3.340 10 30 EGEELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCOCC1 ZINC000926961840 1327798606 /nfs/dbraw/zinc/79/86/06/1327798606.db2.gz YNBVENCBKWQELL-UXHICEINSA-N 2 2 341.499 3.340 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)[C@H](C)C1 ZINC000866267735 1330087801 /nfs/dbraw/zinc/08/78/01/1330087801.db2.gz HJGYFEGGKHWWPH-MDZRGWNJSA-N 2 2 345.487 3.051 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)[C@H](C)C1 ZINC000866267735 1330087804 /nfs/dbraw/zinc/08/78/04/1330087804.db2.gz HJGYFEGGKHWWPH-MDZRGWNJSA-N 2 2 345.487 3.051 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001325429743 1387971301 /nfs/dbraw/zinc/97/13/01/1387971301.db2.gz VBEJQMDAZQXYSH-WMZOPIPTSA-N 2 2 329.488 3.413 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001277473190 1378226718 /nfs/dbraw/zinc/22/67/18/1378226718.db2.gz APQIYQOLENTMQJ-HXUWFJFHSA-N 2 2 346.519 3.168 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001277473190 1378226731 /nfs/dbraw/zinc/22/67/31/1378226731.db2.gz APQIYQOLENTMQJ-HXUWFJFHSA-N 2 2 346.519 3.168 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001283906011 1379251721 /nfs/dbraw/zinc/25/17/21/1379251721.db2.gz NEGHKJWXETULQD-DLBZAZTESA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[NH2+]C1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001328007089 1388643708 /nfs/dbraw/zinc/64/37/08/1388643708.db2.gz NHOADDJKSPBLKK-UHFFFAOYSA-N 2 2 338.455 3.033 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202156 1384979150 /nfs/dbraw/zinc/97/91/50/1384979150.db2.gz FHKKCAOARLDPRC-ZWKOTPCHSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202156 1384979156 /nfs/dbraw/zinc/97/91/56/1384979156.db2.gz FHKKCAOARLDPRC-ZWKOTPCHSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761363 1385451247 /nfs/dbraw/zinc/45/12/47/1385451247.db2.gz KRWATSWLNGFKNE-KRWDZBQOSA-N 2 2 340.471 3.456 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761363 1385451249 /nfs/dbraw/zinc/45/12/49/1385451249.db2.gz KRWATSWLNGFKNE-KRWDZBQOSA-N 2 2 340.471 3.456 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319069653 1385951878 /nfs/dbraw/zinc/95/18/78/1385951878.db2.gz FUDDNYGZEVFKMQ-MAUKXSAKSA-N 2 2 340.471 3.192 10 30 EGEELP CCCC[C@@H](ON=C(C)C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320284027 1386568771 /nfs/dbraw/zinc/56/87/71/1386568771.db2.gz LKQRCIKAJODUDL-QGZVFWFLSA-N 2 2 343.431 3.485 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001331903277 1389903870 /nfs/dbraw/zinc/90/38/70/1389903870.db2.gz OWEZQFBPJCHRFA-SJORKVTESA-N 2 2 342.487 3.497 10 30 EGEELP C=CC[C@]1(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CCC[NH2+]1 ZINC001343536971 1390721022 /nfs/dbraw/zinc/72/10/22/1390721022.db2.gz SDKRKDVNYVMAJS-OXJNMPFZSA-N 2 2 344.503 3.042 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399426 1394246042 /nfs/dbraw/zinc/24/60/42/1394246042.db2.gz JZBODDUTOMLIEZ-GOSISDBHSA-N 2 2 340.471 3.145 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399426 1394246044 /nfs/dbraw/zinc/24/60/44/1394246044.db2.gz JZBODDUTOMLIEZ-GOSISDBHSA-N 2 2 340.471 3.145 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481677905 1394444289 /nfs/dbraw/zinc/44/42/89/1394444289.db2.gz DKJQKOZTAGPUPZ-BZSNNMDCSA-N 2 2 332.492 3.090 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481677905 1394444291 /nfs/dbraw/zinc/44/42/91/1394444291.db2.gz DKJQKOZTAGPUPZ-BZSNNMDCSA-N 2 2 332.492 3.090 10 30 EGEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481973541 1394634895 /nfs/dbraw/zinc/63/48/95/1394634895.db2.gz DCLSLMWWXARKNS-KRWDZBQOSA-N 2 2 340.471 3.051 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001725741457 1426417552 /nfs/dbraw/zinc/41/75/52/1426417552.db2.gz CCHJAANVFXCDLI-GOSISDBHSA-N 2 2 340.471 3.183 10 30 EGEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691410567 1405248754 /nfs/dbraw/zinc/24/87/54/1405248754.db2.gz WZADCHVRMRSSPR-FGTMMUONSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001732478993 1428605214 /nfs/dbraw/zinc/60/52/14/1428605214.db2.gz YFWMZRAWWCRUJA-SJLPKXTDSA-N 2 2 332.492 3.065 10 30 EGEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001699606354 1412970395 /nfs/dbraw/zinc/97/03/95/1412970395.db2.gz RAECYEPEAUHCFY-MSOLQXFVSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699755044 1413161905 /nfs/dbraw/zinc/16/19/05/1413161905.db2.gz JCPHZOOFSMKWGB-IBGZPJMESA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196501 1413637863 /nfs/dbraw/zinc/63/78/63/1413637863.db2.gz GFBBIESDKSMZIN-QZTJIDSGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196501 1413637866 /nfs/dbraw/zinc/63/78/66/1413637866.db2.gz GFBBIESDKSMZIN-QZTJIDSGSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196505 1413638030 /nfs/dbraw/zinc/63/80/30/1413638030.db2.gz GFBBIESDKSMZIN-ZWKOTPCHSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196505 1413638032 /nfs/dbraw/zinc/63/80/32/1413638032.db2.gz GFBBIESDKSMZIN-ZWKOTPCHSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001714326977 1419105845 /nfs/dbraw/zinc/10/58/45/1419105845.db2.gz FJKKLTIXDUVTKK-KBAYOESNSA-N 2 2 344.503 3.086 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001714326977 1419105848 /nfs/dbraw/zinc/10/58/48/1419105848.db2.gz FJKKLTIXDUVTKK-KBAYOESNSA-N 2 2 344.503 3.086 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715389134 1420086097 /nfs/dbraw/zinc/08/60/97/1420086097.db2.gz RZNQNTADBCWDMS-GOSISDBHSA-N 2 2 342.487 3.343 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367721 1421304299 /nfs/dbraw/zinc/30/42/99/1421304299.db2.gz PNIMOYUCQHSEGD-ZWKOTPCHSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367721 1421304302 /nfs/dbraw/zinc/30/43/02/1421304302.db2.gz PNIMOYUCQHSEGD-ZWKOTPCHSA-N 2 2 346.519 3.204 10 30 EGEELP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731752813 1427849643 /nfs/dbraw/zinc/84/96/43/1427849643.db2.gz WSRMRFDXKYRLQD-GOSISDBHSA-N 2 2 327.472 3.005 10 30 EGEELP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731752813 1427849646 /nfs/dbraw/zinc/84/96/46/1427849646.db2.gz WSRMRFDXKYRLQD-GOSISDBHSA-N 2 2 327.472 3.005 10 30 EGEELP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733864285 1437692520 /nfs/dbraw/zinc/69/25/20/1437692520.db2.gz OPZOKTJRDMSCTK-QGZVFWFLSA-N 2 2 332.492 3.017 10 30 EGEELP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)CC1CCCCC1 ZINC000349059980 282097789 /nfs/dbraw/zinc/09/77/89/282097789.db2.gz DAROIRWVJAQEFO-UHFFFAOYSA-N 2 2 339.487 3.150 10 30 EGEELP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181959752 533085442 /nfs/dbraw/zinc/08/54/42/533085442.db2.gz QYQMCHZWXWNVJA-QFIPXVFZSA-N 2 2 349.478 3.500 10 30 EGEELP Cc1c(C[NH2+]C[C@@H]2CCCn3cc(C(C)(C)C)[nH+]c32)cc(C#N)n1C ZINC000089536572 454160345 /nfs/dbraw/zinc/16/03/45/454160345.db2.gz DWQICIAKUZCMGB-HNNXBMFYSA-N 2 2 339.487 3.366 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@H](C)C#N)CC1 ZINC000091983161 454500179 /nfs/dbraw/zinc/50/01/79/454500179.db2.gz GVNXOVPMZGOVRJ-GOSISDBHSA-N 2 2 328.504 3.200 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)C[C@H](C)C#N)CC1 ZINC000091983161 454500180 /nfs/dbraw/zinc/50/01/80/454500180.db2.gz GVNXOVPMZGOVRJ-GOSISDBHSA-N 2 2 328.504 3.200 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135450 455700553 /nfs/dbraw/zinc/70/05/53/455700553.db2.gz BPMMTORJQYMWAV-IHPCNDPISA-N 2 2 349.563 3.384 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135450 455700554 /nfs/dbraw/zinc/70/05/54/455700554.db2.gz BPMMTORJQYMWAV-IHPCNDPISA-N 2 2 349.563 3.384 10 30 EGEELP C(#CC[N@@H+]1CCC[C@H]1c1cccnc1)C[NH+]1CCC[C@H]1c1cccnc1 ZINC000346979440 457194351 /nfs/dbraw/zinc/19/43/51/457194351.db2.gz LLJQGJJVHSQYHU-VXKWHMMOSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@H]1c1cccnc1)C[NH+]1CCC[C@H]1c1cccnc1 ZINC000346979440 457194357 /nfs/dbraw/zinc/19/43/57/457194357.db2.gz LLJQGJJVHSQYHU-VXKWHMMOSA-N 2 2 346.478 3.454 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000374197057 457517861 /nfs/dbraw/zinc/51/78/61/457517861.db2.gz ASRJTTIBAGOZSN-UHFFFAOYSA-N 2 2 326.444 3.076 10 30 EGEELP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306499 457563853 /nfs/dbraw/zinc/56/38/53/457563853.db2.gz RIFSTDHATAVXDM-BLLLJJGKSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306499 457563864 /nfs/dbraw/zinc/56/38/64/457563864.db2.gz RIFSTDHATAVXDM-BLLLJJGKSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306499 457563873 /nfs/dbraw/zinc/56/38/73/457563873.db2.gz RIFSTDHATAVXDM-BLLLJJGKSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356306499 457563882 /nfs/dbraw/zinc/56/38/82/457563882.db2.gz RIFSTDHATAVXDM-BLLLJJGKSA-N 2 2 325.378 3.349 10 30 EGEELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000567645937 459138789 /nfs/dbraw/zinc/13/87/89/459138789.db2.gz KSXBRQFBRFDIOH-JXFKEZNVSA-N 2 2 335.451 3.082 10 30 EGEELP CC1(C)[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000594992801 459209241 /nfs/dbraw/zinc/20/92/41/459209241.db2.gz YDBSTHBHJGNHEV-KRWDZBQOSA-N 2 2 333.426 3.404 10 30 EGEELP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000595006605 459212575 /nfs/dbraw/zinc/21/25/75/459212575.db2.gz LVWPEGCGBDVLAC-VGSWGCGISA-N 2 2 349.478 3.234 10 30 EGEELP C[NH+](C)C1CC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000575762220 460000431 /nfs/dbraw/zinc/00/04/31/460000431.db2.gz LSQRUSSOZXJNSP-UHFFFAOYSA-N 2 2 335.451 3.319 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000599084468 460156679 /nfs/dbraw/zinc/15/66/79/460156679.db2.gz RRUUTMRUWVMVNR-KRWDZBQOSA-N 2 2 327.472 3.196 10 30 EGEELP C[C@@]1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCS1 ZINC000600178416 460422155 /nfs/dbraw/zinc/42/21/55/460422155.db2.gz XKQUMCWPRLSQKH-IBGZPJMESA-N 2 2 329.513 3.398 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621334914 460994491 /nfs/dbraw/zinc/99/44/91/460994491.db2.gz VSQYCUUENUQCPC-UHFFFAOYSA-N 2 2 338.499 3.256 10 30 EGEELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658296 461910523 /nfs/dbraw/zinc/91/05/23/461910523.db2.gz DMRJQIVPBPZODS-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658296 461910529 /nfs/dbraw/zinc/91/05/29/461910529.db2.gz DMRJQIVPBPZODS-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658296 461910538 /nfs/dbraw/zinc/91/05/38/461910538.db2.gz DMRJQIVPBPZODS-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660658296 461910544 /nfs/dbraw/zinc/91/05/44/461910544.db2.gz DMRJQIVPBPZODS-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000153020637 526605757 /nfs/dbraw/zinc/60/57/57/526605757.db2.gz UHNKEUXWDUUURN-OAHLLOKOSA-N 2 2 345.487 3.345 10 30 EGEELP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877743679 1299521873 /nfs/dbraw/zinc/52/18/73/1299521873.db2.gz LTUMCWOYSMOKMV-ROUUACIJSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877743679 1299521879 /nfs/dbraw/zinc/52/18/79/1299521879.db2.gz LTUMCWOYSMOKMV-ROUUACIJSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877743679 1299521885 /nfs/dbraw/zinc/52/18/85/1299521885.db2.gz LTUMCWOYSMOKMV-ROUUACIJSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC ZINC000877743679 1299521891 /nfs/dbraw/zinc/52/18/91/1299521891.db2.gz LTUMCWOYSMOKMV-ROUUACIJSA-N 2 2 330.472 3.176 10 30 EGEELP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000883173914 1302284221 /nfs/dbraw/zinc/28/42/21/1302284221.db2.gz WYGJDYSODRMZHT-LEWJYISDSA-N 2 2 344.499 3.122 10 30 EGEELP C=CCC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1CCCO1 ZINC000883212567 1302309234 /nfs/dbraw/zinc/30/92/34/1302309234.db2.gz KRFQUCSYJKBLKR-FHWLQOOXSA-N 2 2 344.503 3.148 10 30 EGEELP C[C@@H](CC1(C#N)CCOCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112111 1309195020 /nfs/dbraw/zinc/19/50/20/1309195020.db2.gz LYOUJPQJVWPNAW-BZSNNMDCSA-N 2 2 342.487 3.257 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000924984356 1323236384 /nfs/dbraw/zinc/23/63/84/1323236384.db2.gz SEPOOAZIQPBBSY-QFIPXVFZSA-N 2 2 335.495 3.475 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000931329132 1329094737 /nfs/dbraw/zinc/09/47/37/1329094737.db2.gz LVVZSPQWEQRCMR-UHFFFAOYSA-N 2 2 341.499 3.252 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840685 1331214582 /nfs/dbraw/zinc/21/45/82/1331214582.db2.gz ZUUJVSYDALOJLO-GOSISDBHSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840685 1331214584 /nfs/dbraw/zinc/21/45/84/1331214584.db2.gz ZUUJVSYDALOJLO-GOSISDBHSA-N 2 2 340.471 3.359 10 30 EGEELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001136818994 1377425666 /nfs/dbraw/zinc/42/56/66/1377425666.db2.gz PYZNQEXVRJHBED-UHFFFAOYSA-N 2 2 331.379 3.317 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001267208839 1377431159 /nfs/dbraw/zinc/43/11/59/1377431159.db2.gz YUMHJXPVDOBLFM-SJORKVTESA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001284292301 1379680667 /nfs/dbraw/zinc/68/06/67/1379680667.db2.gz FLKOTQGAIYOLOZ-ROUUACIJSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001284292298 1379680894 /nfs/dbraw/zinc/68/08/94/1379680894.db2.gz FLKOTQGAIYOLOZ-MSOLQXFVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001316771005 1384569730 /nfs/dbraw/zinc/56/97/30/1384569730.db2.gz RBASIHNFGODKDP-OALUTQOASA-N 2 2 346.519 3.379 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106081 1384870514 /nfs/dbraw/zinc/87/05/14/1384870514.db2.gz QXCWLJHMXLUJPA-ROUUACIJSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106081 1384870515 /nfs/dbraw/zinc/87/05/15/1384870515.db2.gz QXCWLJHMXLUJPA-ROUUACIJSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[NH2+]C1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001317216973 1384996896 /nfs/dbraw/zinc/99/68/96/1384996896.db2.gz LAGBKRPTBUVQSA-ABHNRTSZSA-N 2 2 332.492 3.063 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317504407 1385208976 /nfs/dbraw/zinc/20/89/76/1385208976.db2.gz GWGOTFRZXMLQFR-MAUKXSAKSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317504407 1385208981 /nfs/dbraw/zinc/20/89/81/1385208981.db2.gz GWGOTFRZXMLQFR-MAUKXSAKSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481333830 1393165866 /nfs/dbraw/zinc/16/58/66/1393165866.db2.gz GTHNCHCBDQHGJQ-PKOBYXMFSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482452157 1395010404 /nfs/dbraw/zinc/01/04/04/1395010404.db2.gz GKLRTWRMUZVGSS-INIZCTEOSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001689265000 1396996242 /nfs/dbraw/zinc/99/62/42/1396996242.db2.gz LULONVROCDITOE-SFHVURJKSA-N 2 2 346.519 3.254 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365918 1403707901 /nfs/dbraw/zinc/70/79/01/1403707901.db2.gz QUJSNOPEQSRXIV-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365918 1403707905 /nfs/dbraw/zinc/70/79/05/1403707905.db2.gz QUJSNOPEQSRXIV-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700070643 1413485433 /nfs/dbraw/zinc/48/54/33/1413485433.db2.gz RVQLHVVQXDGPEV-DLBZAZTESA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001712996558 1417548027 /nfs/dbraw/zinc/54/80/27/1417548027.db2.gz MMSRWWKTSIKGGE-FUHWJXTLSA-N 2 2 340.471 3.192 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714000214 1418780315 /nfs/dbraw/zinc/78/03/15/1418780315.db2.gz UVBGCWZCMQMCAE-IYBDPMFKSA-N 2 2 328.460 3.155 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715059336 1419798964 /nfs/dbraw/zinc/79/89/64/1419798964.db2.gz RJLGSJRGYYDCCO-YOEHRIQHSA-N 2 2 328.460 3.095 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001715499165 1420181509 /nfs/dbraw/zinc/18/15/09/1420181509.db2.gz SUUDARLQWRVVGE-MRXNPFEDSA-N 2 2 346.519 3.176 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001715499165 1420181512 /nfs/dbraw/zinc/18/15/12/1420181512.db2.gz SUUDARLQWRVVGE-MRXNPFEDSA-N 2 2 346.519 3.176 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001716051520 1420515945 /nfs/dbraw/zinc/51/59/45/1420515945.db2.gz ZMBQAOXZEYSBFU-HKUYNNGSSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001716051520 1420515947 /nfs/dbraw/zinc/51/59/47/1420515947.db2.gz ZMBQAOXZEYSBFU-HKUYNNGSSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001716051520 1420515949 /nfs/dbraw/zinc/51/59/49/1420515949.db2.gz ZMBQAOXZEYSBFU-HKUYNNGSSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001716051520 1420515951 /nfs/dbraw/zinc/51/59/51/1420515951.db2.gz ZMBQAOXZEYSBFU-HKUYNNGSSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001717033346 1421087160 /nfs/dbraw/zinc/08/71/60/1421087160.db2.gz TUSSOGSNRJUJIN-QRVBRYPASA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001717033346 1421087164 /nfs/dbraw/zinc/08/71/64/1421087164.db2.gz TUSSOGSNRJUJIN-QRVBRYPASA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001717514278 1421451048 /nfs/dbraw/zinc/45/10/48/1421451048.db2.gz NCGHTGCTIZDVNC-QGZVFWFLSA-N 2 2 342.487 3.377 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001717523809 1421459338 /nfs/dbraw/zinc/45/93/38/1421459338.db2.gz FSHIIYPFQFCSAW-BRWVUGGUSA-N 2 2 344.503 3.277 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001717523809 1421459340 /nfs/dbraw/zinc/45/93/40/1421459340.db2.gz FSHIIYPFQFCSAW-BRWVUGGUSA-N 2 2 344.503 3.277 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393089 1429584214 /nfs/dbraw/zinc/58/42/14/1429584214.db2.gz NQSMANPPRYHGRT-PXNSSMCTSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393089 1429584216 /nfs/dbraw/zinc/58/42/16/1429584216.db2.gz NQSMANPPRYHGRT-PXNSSMCTSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001724006787 1424625388 /nfs/dbraw/zinc/62/53/88/1424625388.db2.gz QBJLARFKWMPCCZ-UHFFFAOYSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001725066348 1425508096 /nfs/dbraw/zinc/50/80/96/1425508096.db2.gz VTXPJKWORSRGNL-MXWWQKGMSA-N 2 2 340.471 3.095 10 30 EGEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001750927783 1440111566 /nfs/dbraw/zinc/11/15/66/1440111566.db2.gz SNAAXLUQEPTRBK-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001750927783 1440111567 /nfs/dbraw/zinc/11/15/67/1440111567.db2.gz SNAAXLUQEPTRBK-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000287805882 267077487 /nfs/dbraw/zinc/07/74/87/267077487.db2.gz OSQGSWDECPXJMM-WBMJQRKESA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@H+]1C ZINC000287805882 267077491 /nfs/dbraw/zinc/07/74/91/267077491.db2.gz OSQGSWDECPXJMM-WBMJQRKESA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805882 267077493 /nfs/dbraw/zinc/07/74/93/267077493.db2.gz OSQGSWDECPXJMM-WBMJQRKESA-N 2 2 336.277 3.235 10 30 EGEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805882 267077497 /nfs/dbraw/zinc/07/74/97/267077497.db2.gz OSQGSWDECPXJMM-WBMJQRKESA-N 2 2 336.277 3.235 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650752 308008521 /nfs/dbraw/zinc/00/85/21/308008521.db2.gz MEZZBRXPJRTBTJ-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650752 308008522 /nfs/dbraw/zinc/00/85/22/308008522.db2.gz MEZZBRXPJRTBTJ-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650752 308008523 /nfs/dbraw/zinc/00/85/23/308008523.db2.gz MEZZBRXPJRTBTJ-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650752 308008524 /nfs/dbraw/zinc/00/85/24/308008524.db2.gz MEZZBRXPJRTBTJ-XLIONFOSSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCCC1)c1ccccc1 ZINC000600726497 460581157 /nfs/dbraw/zinc/58/11/57/460581157.db2.gz LQHQRBJSEQWDPN-HKUYNNGSSA-N 2 2 341.499 3.294 10 30 EGEELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(OCC#N)cc1 ZINC000181474901 455340132 /nfs/dbraw/zinc/34/01/32/455340132.db2.gz OOBKNJODVMGQRF-OAHLLOKOSA-N 2 2 333.395 3.020 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3ccccn3)CC2)cc1 ZINC000182041543 455421859 /nfs/dbraw/zinc/42/18/59/455421859.db2.gz WLYZBGSDGXNUJW-UHFFFAOYSA-N 2 2 334.467 3.140 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000354032998 457022395 /nfs/dbraw/zinc/02/23/95/457022395.db2.gz GUOAAQRBKMANGT-GOSISDBHSA-N 2 2 340.515 3.343 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000354032998 457022398 /nfs/dbraw/zinc/02/23/98/457022398.db2.gz GUOAAQRBKMANGT-GOSISDBHSA-N 2 2 340.515 3.343 10 30 EGEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903197 458509643 /nfs/dbraw/zinc/50/96/43/458509643.db2.gz JILRLGNRDBZEKZ-XJKSGUPXSA-N 2 2 337.414 3.322 10 30 EGEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903197 458509645 /nfs/dbraw/zinc/50/96/45/458509645.db2.gz JILRLGNRDBZEKZ-XJKSGUPXSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903197 458509651 /nfs/dbraw/zinc/50/96/51/458509651.db2.gz JILRLGNRDBZEKZ-XJKSGUPXSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903197 458509654 /nfs/dbraw/zinc/50/96/54/458509654.db2.gz JILRLGNRDBZEKZ-XJKSGUPXSA-N 2 2 337.414 3.322 10 30 EGEELP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596047758 459501692 /nfs/dbraw/zinc/50/16/92/459501692.db2.gz RJXWXIDIOHQIJM-PMACEKPBSA-N 2 2 336.483 3.322 10 30 EGEELP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596047758 459501698 /nfs/dbraw/zinc/50/16/98/459501698.db2.gz RJXWXIDIOHQIJM-PMACEKPBSA-N 2 2 336.483 3.322 10 30 EGEELP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000596988942 459812448 /nfs/dbraw/zinc/81/24/48/459812448.db2.gz KLPDZQKGCUTIJS-UHFFFAOYSA-N 2 2 332.451 3.267 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780206 459870285 /nfs/dbraw/zinc/87/02/85/459870285.db2.gz BDLKZEPNVUPDHX-NRFANRHFSA-N 2 2 332.451 3.051 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780206 459870290 /nfs/dbraw/zinc/87/02/90/459870290.db2.gz BDLKZEPNVUPDHX-NRFANRHFSA-N 2 2 332.451 3.051 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780206 459870294 /nfs/dbraw/zinc/87/02/94/459870294.db2.gz BDLKZEPNVUPDHX-NRFANRHFSA-N 2 2 332.451 3.051 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000586780206 459870300 /nfs/dbraw/zinc/87/03/00/459870300.db2.gz BDLKZEPNVUPDHX-NRFANRHFSA-N 2 2 332.451 3.051 10 30 EGEELP Cn1c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2[nH+]c1C(C)(C)C ZINC000594444752 460222961 /nfs/dbraw/zinc/22/29/61/460222961.db2.gz CIVXKUHWTROMNA-CQSZACIVSA-N 2 2 341.459 3.221 10 30 EGEELP C[N@H+](CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)Cc1ccccc1 ZINC000599629986 460292965 /nfs/dbraw/zinc/29/29/65/460292965.db2.gz KHGIPFISKPIZDI-UHFFFAOYSA-N 2 2 349.478 3.286 10 30 EGEELP C[N@@H+](CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)Cc1ccccc1 ZINC000599629986 460292968 /nfs/dbraw/zinc/29/29/68/460292968.db2.gz KHGIPFISKPIZDI-UHFFFAOYSA-N 2 2 349.478 3.286 10 30 EGEELP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656579 460851068 /nfs/dbraw/zinc/85/10/68/460851068.db2.gz PIDOMOLULPQIHQ-GJZGRUSLSA-N 2 2 328.378 3.211 10 30 EGEELP C=CCOc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656579 460851074 /nfs/dbraw/zinc/85/10/74/460851074.db2.gz PIDOMOLULPQIHQ-GJZGRUSLSA-N 2 2 328.378 3.211 10 30 EGEELP C=CC[C@@]1(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662579 461340399 /nfs/dbraw/zinc/34/03/99/461340399.db2.gz HNQHZAQFJSOUBM-KSSFIOAISA-N 2 2 348.516 3.012 10 30 EGEELP C=CC[C@@]1(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662579 461340406 /nfs/dbraw/zinc/34/04/06/461340406.db2.gz HNQHZAQFJSOUBM-KSSFIOAISA-N 2 2 348.516 3.012 10 30 EGEELP COc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1C#N ZINC000895110703 1309195581 /nfs/dbraw/zinc/19/55/81/1309195581.db2.gz USVXZASNMPFPLT-IYARVYRRSA-N 2 2 336.439 3.238 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000924984355 1323236211 /nfs/dbraw/zinc/23/62/11/1323236211.db2.gz SEPOOAZIQPBBSY-JOCHJYFZSA-N 2 2 335.495 3.475 10 30 EGEELP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1O ZINC000925440456 1325149819 /nfs/dbraw/zinc/14/98/19/1325149819.db2.gz RTVBWEIZGDRCCA-MDZRGWNJSA-N 2 2 345.487 3.194 10 30 EGEELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCOCC1 ZINC000926961841 1327799289 /nfs/dbraw/zinc/79/92/89/1327799289.db2.gz YNBVENCBKWQELL-VQTJNVASSA-N 2 2 341.499 3.340 10 30 EGEELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCOCC1 ZINC000926961841 1327799300 /nfs/dbraw/zinc/79/93/00/1327799300.db2.gz YNBVENCBKWQELL-VQTJNVASSA-N 2 2 341.499 3.340 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001326479741 1388208876 /nfs/dbraw/zinc/20/88/76/1388208876.db2.gz JKSSFWZQPSMFBB-INIZCTEOSA-N 2 2 348.450 3.491 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001267208836 1377430741 /nfs/dbraw/zinc/43/07/41/1377430741.db2.gz YUMHJXPVDOBLFM-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317217185 1384996749 /nfs/dbraw/zinc/99/67/49/1384996749.db2.gz FDKIHYDUABZTRD-KLAILNCOSA-N 2 2 340.471 3.320 10 30 EGEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317672413 1385377958 /nfs/dbraw/zinc/37/79/58/1385377958.db2.gz BMFMTJRBBBLUSZ-MRXNPFEDSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317672410 1385378525 /nfs/dbraw/zinc/37/85/25/1385378525.db2.gz BMFMTJRBBBLUSZ-INIZCTEOSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001319695565 1386256446 /nfs/dbraw/zinc/25/64/46/1386256446.db2.gz GHNBGZGGNZNQRZ-YJBOKZPZSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319852454 1386335246 /nfs/dbraw/zinc/33/52/46/1386335246.db2.gz FXUWABBUWLWONA-FUHWJXTLSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001329940640 1389269404 /nfs/dbraw/zinc/26/94/04/1389269404.db2.gz ZTGZYMRCJRPADI-ZWKOTPCHSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001329940640 1389269410 /nfs/dbraw/zinc/26/94/10/1389269410.db2.gz ZTGZYMRCJRPADI-ZWKOTPCHSA-N 2 2 332.492 3.161 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001330528056 1389445224 /nfs/dbraw/zinc/44/52/24/1389445224.db2.gz FIESTNMJKMHQTF-BGYRXZFFSA-N 2 2 346.519 3.093 10 30 EGEELP CCCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001330528056 1389445229 /nfs/dbraw/zinc/44/52/29/1389445229.db2.gz FIESTNMJKMHQTF-BGYRXZFFSA-N 2 2 346.519 3.093 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190354 1392620110 /nfs/dbraw/zinc/62/01/10/1392620110.db2.gz ZYDASJVSEFCXIQ-OALUTQOASA-N 2 2 346.519 3.166 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190354 1392620111 /nfs/dbraw/zinc/62/01/11/1392620111.db2.gz ZYDASJVSEFCXIQ-OALUTQOASA-N 2 2 346.519 3.166 10 30 EGEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480210102 1392623343 /nfs/dbraw/zinc/62/33/43/1392623343.db2.gz BXBOBHTZMCHRIU-IYBDPMFKSA-N 2 2 326.444 3.160 10 30 EGEELP C=CC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001481369415 1394209441 /nfs/dbraw/zinc/20/94/41/1394209441.db2.gz SHKWPMQYUBJCAW-FQEVSTJZSA-N 2 2 346.434 3.119 10 30 EGEELP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001482243051 1394839614 /nfs/dbraw/zinc/83/96/14/1394839614.db2.gz CNUQNNDOCQNLEF-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001482243051 1394839622 /nfs/dbraw/zinc/83/96/22/1394839622.db2.gz CNUQNNDOCQNLEF-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001496429967 1396706139 /nfs/dbraw/zinc/70/61/39/1396706139.db2.gz DVZXVNQQLYYEFL-AEFFLSMTSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498485212 1397030759 /nfs/dbraw/zinc/03/07/59/1397030759.db2.gz LSOFUGVOYWXECS-GDBMZVCRSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823211 1405539551 /nfs/dbraw/zinc/53/95/51/1405539551.db2.gz KSDUHDSWWFXUJZ-GOSISDBHSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823211 1405539554 /nfs/dbraw/zinc/53/95/54/1405539554.db2.gz KSDUHDSWWFXUJZ-GOSISDBHSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692333192 1405952596 /nfs/dbraw/zinc/95/25/96/1405952596.db2.gz LIWWSDGUJUYGMB-IAGOWNOFSA-N 2 2 346.519 3.403 10 30 EGEELP C=CCCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001732022651 1428239946 /nfs/dbraw/zinc/23/99/46/1428239946.db2.gz OAEZWUXGGLCGOI-SFHVURJKSA-N 2 2 348.450 3.361 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001732496653 1428618548 /nfs/dbraw/zinc/61/85/48/1428618548.db2.gz USQJXMYRMRTVFQ-DLBZAZTESA-N 2 2 348.535 3.484 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699682878 1413077054 /nfs/dbraw/zinc/07/70/54/1413077054.db2.gz VCLZKFJHJYRZGM-BBWFWOEESA-N 2 2 344.503 3.107 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699682878 1413077058 /nfs/dbraw/zinc/07/70/58/1413077058.db2.gz VCLZKFJHJYRZGM-BBWFWOEESA-N 2 2 344.503 3.107 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001700100491 1413517891 /nfs/dbraw/zinc/51/78/91/1413517891.db2.gz VMXNGCIINVUPBS-JKSUJKDBSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001700100491 1413517897 /nfs/dbraw/zinc/51/78/97/1413517897.db2.gz VMXNGCIINVUPBS-JKSUJKDBSA-N 2 2 340.471 3.131 10 30 EGEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCCCC ZINC001700525987 1414187312 /nfs/dbraw/zinc/18/73/12/1414187312.db2.gz ULKKTBAZIQJETM-UXHICEINSA-N 2 2 347.547 3.025 10 30 EGEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCCCC ZINC001700525987 1414187315 /nfs/dbraw/zinc/18/73/15/1414187315.db2.gz ULKKTBAZIQJETM-UXHICEINSA-N 2 2 347.547 3.025 10 30 EGEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCCCC ZINC001700525987 1414187319 /nfs/dbraw/zinc/18/73/19/1414187319.db2.gz ULKKTBAZIQJETM-UXHICEINSA-N 2 2 347.547 3.025 10 30 EGEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCCCC ZINC001700525987 1414187324 /nfs/dbraw/zinc/18/73/24/1414187324.db2.gz ULKKTBAZIQJETM-UXHICEINSA-N 2 2 347.547 3.025 10 30 EGEELP CCCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700842205 1414492177 /nfs/dbraw/zinc/49/21/77/1414492177.db2.gz NRZLCQGJXFXKSO-DLBZAZTESA-N 2 2 342.487 3.497 10 30 EGEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001713678895 1418430969 /nfs/dbraw/zinc/43/09/69/1418430969.db2.gz DTCNTHFZBXIRFF-MRXNPFEDSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713828937 1418627638 /nfs/dbraw/zinc/62/76/38/1418627638.db2.gz AIFWEGPQJUKBOA-FUHWJXTLSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713828937 1418627640 /nfs/dbraw/zinc/62/76/40/1418627640.db2.gz AIFWEGPQJUKBOA-FUHWJXTLSA-N 2 2 338.455 3.031 10 30 EGEELP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714190655 1418997026 /nfs/dbraw/zinc/99/70/26/1418997026.db2.gz FZDDYIBQSDZZMH-ABHNRTSZSA-N 2 2 332.492 3.063 10 30 EGEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001714230623 1419023196 /nfs/dbraw/zinc/02/31/96/1419023196.db2.gz UMFJWZSPZNOPOX-ROUUACIJSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035809 1419770378 /nfs/dbraw/zinc/77/03/78/1419770378.db2.gz ATNLRBRXWDRWEA-RTBURBONSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035809 1419770379 /nfs/dbraw/zinc/77/03/79/1419770379.db2.gz ATNLRBRXWDRWEA-RTBURBONSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844826 1420971817 /nfs/dbraw/zinc/97/18/17/1420971817.db2.gz WTEQFRXPHCVQJR-PKOBYXMFSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844826 1420971818 /nfs/dbraw/zinc/97/18/18/1420971818.db2.gz WTEQFRXPHCVQJR-PKOBYXMFSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001716895029 1421021409 /nfs/dbraw/zinc/02/14/09/1421021409.db2.gz BSKJBMBUZISQRK-FQEVSTJZSA-N 2 2 346.519 3.111 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001716895029 1421021411 /nfs/dbraw/zinc/02/14/11/1421021411.db2.gz BSKJBMBUZISQRK-FQEVSTJZSA-N 2 2 346.519 3.111 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001717795091 1421626795 /nfs/dbraw/zinc/62/67/95/1421626795.db2.gz DNUZMEWDMGAGKA-VQIMIIECSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733465279 1429696899 /nfs/dbraw/zinc/69/68/99/1429696899.db2.gz ZEAKCHDECVWVCP-HXUWFJFHSA-N 2 2 340.471 3.361 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001733465279 1429696903 /nfs/dbraw/zinc/69/69/03/1429696903.db2.gz ZEAKCHDECVWVCP-HXUWFJFHSA-N 2 2 340.471 3.361 10 30 EGEELP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550218 1427569518 /nfs/dbraw/zinc/56/95/18/1427569518.db2.gz FQFJRXPEDKRFCB-MOPGFXCFSA-N 2 2 344.503 3.085 10 30 EGEELP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550218 1427569521 /nfs/dbraw/zinc/56/95/21/1427569521.db2.gz FQFJRXPEDKRFCB-MOPGFXCFSA-N 2 2 344.503 3.085 10 30 EGEELP CC1(C)CC(N2CCCCC2)=C/C(=[NH+]/CCC[NH+]2CCOCC2)C1 ZINC000005072561 210384583 /nfs/dbraw/zinc/38/45/83/210384583.db2.gz WMKVCVCYLKFDDP-UZYVYHOESA-N 2 2 333.520 3.340 10 30 EGEELP C=CCc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(OC)c1O ZINC000127720063 454990994 /nfs/dbraw/zinc/99/09/94/454990994.db2.gz BQVQZUVBVYYZTA-UHFFFAOYSA-N 2 2 330.472 3.190 10 30 EGEELP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000151498166 454993404 /nfs/dbraw/zinc/99/34/04/454993404.db2.gz HROGDSZHTRJFSK-INIZCTEOSA-N 2 2 332.407 3.130 10 30 EGEELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)s1 ZINC000181533705 455350830 /nfs/dbraw/zinc/35/08/30/455350830.db2.gz HQWIVIXODCTWFQ-CQSZACIVSA-N 2 2 326.469 3.330 10 30 EGEELP COc1ccc(C)[nH+]c1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182594519 455549658 /nfs/dbraw/zinc/54/96/58/455549658.db2.gz VFLWXWXOPNAIEM-UHFFFAOYSA-N 2 2 336.439 3.347 10 30 EGEELP C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(OC)c1O ZINC000247299489 455585230 /nfs/dbraw/zinc/58/52/30/455585230.db2.gz ZOORBVLCWJIVIH-MAUKXSAKSA-N 2 2 341.455 3.409 10 30 EGEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453178 455757104 /nfs/dbraw/zinc/75/71/04/455757104.db2.gz CUNIZYUMCNPDAE-RBBKRZOGSA-N 2 2 348.494 3.324 10 30 EGEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453178 455757107 /nfs/dbraw/zinc/75/71/07/455757107.db2.gz CUNIZYUMCNPDAE-RBBKRZOGSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453178 455757112 /nfs/dbraw/zinc/75/71/12/455757112.db2.gz CUNIZYUMCNPDAE-RBBKRZOGSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@H]21 ZINC000249453178 455757113 /nfs/dbraw/zinc/75/71/13/455757113.db2.gz CUNIZYUMCNPDAE-RBBKRZOGSA-N 2 2 348.494 3.324 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289546 455941633 /nfs/dbraw/zinc/94/16/33/455941633.db2.gz OEYRHVLOLAVLET-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289546 455941640 /nfs/dbraw/zinc/94/16/40/455941640.db2.gz OEYRHVLOLAVLET-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289546 455941645 /nfs/dbraw/zinc/94/16/45/455941645.db2.gz OEYRHVLOLAVLET-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000195298605 455942241 /nfs/dbraw/zinc/94/22/41/455942241.db2.gz SWUBGAYGROVISZ-FQEVSTJZSA-N 2 2 337.442 3.026 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000195298605 455942245 /nfs/dbraw/zinc/94/22/45/455942245.db2.gz SWUBGAYGROVISZ-FQEVSTJZSA-N 2 2 337.442 3.026 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000195298605 455942249 /nfs/dbraw/zinc/94/22/49/455942249.db2.gz SWUBGAYGROVISZ-FQEVSTJZSA-N 2 2 337.442 3.026 10 30 EGEELP C=CCc1cc(C[N@H+](CC[NH3+])CCc2ccccc2)cc(OC)c1O ZINC000262106302 455998477 /nfs/dbraw/zinc/99/84/77/455998477.db2.gz WBCFOTWARDMMSC-UHFFFAOYSA-N 2 2 340.467 3.133 10 30 EGEELP C=CCc1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc(OC)c1O ZINC000262106302 455998483 /nfs/dbraw/zinc/99/84/83/455998483.db2.gz WBCFOTWARDMMSC-UHFFFAOYSA-N 2 2 340.467 3.133 10 30 EGEELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000329755657 456936835 /nfs/dbraw/zinc/93/68/35/456936835.db2.gz LRTQCXDBSOHBFX-KRWDZBQOSA-N 2 2 341.459 3.153 10 30 EGEELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000329755657 456936839 /nfs/dbraw/zinc/93/68/39/456936839.db2.gz LRTQCXDBSOHBFX-KRWDZBQOSA-N 2 2 341.459 3.153 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770362 458589246 /nfs/dbraw/zinc/58/92/46/458589246.db2.gz UOEMWDLNSJEMLS-XLIONFOSSA-N 2 2 348.918 3.418 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770362 458589250 /nfs/dbraw/zinc/58/92/50/458589250.db2.gz UOEMWDLNSJEMLS-XLIONFOSSA-N 2 2 348.918 3.418 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092049 459241829 /nfs/dbraw/zinc/24/18/29/459241829.db2.gz VOCODRSKRHKBSQ-IEBWSBKVSA-N 2 2 326.488 3.356 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092049 459241836 /nfs/dbraw/zinc/24/18/36/459241836.db2.gz VOCODRSKRHKBSQ-IEBWSBKVSA-N 2 2 326.488 3.356 10 30 EGEELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505244 459326632 /nfs/dbraw/zinc/32/66/32/459326632.db2.gz RETPCSTZRMLLMS-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505244 459326638 /nfs/dbraw/zinc/32/66/38/459326638.db2.gz RETPCSTZRMLLMS-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505244 459326646 /nfs/dbraw/zinc/32/66/46/459326646.db2.gz RETPCSTZRMLLMS-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505244 459326653 /nfs/dbraw/zinc/32/66/53/459326653.db2.gz RETPCSTZRMLLMS-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP N#Cc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)ccn1 ZINC000595552262 459343712 /nfs/dbraw/zinc/34/37/12/459343712.db2.gz RNHWIKJGBRBWSA-UHFFFAOYSA-N 2 2 331.423 3.284 10 30 EGEELP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000595633514 459376628 /nfs/dbraw/zinc/37/66/28/459376628.db2.gz UFQQQNCRAVPXMQ-UHFFFAOYSA-N 2 2 349.478 3.415 10 30 EGEELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)[C@@H]1c1cccs1 ZINC000573731256 459724729 /nfs/dbraw/zinc/72/47/29/459724729.db2.gz DZLREFBFYHAPMM-BLLLJJGKSA-N 2 2 332.498 3.249 10 30 EGEELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)[C@@H]1c1cccs1 ZINC000573731256 459724732 /nfs/dbraw/zinc/72/47/32/459724732.db2.gz DZLREFBFYHAPMM-BLLLJJGKSA-N 2 2 332.498 3.249 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CNc4ccccc4C3)CC2)cc1 ZINC000593319208 459839650 /nfs/dbraw/zinc/83/96/50/459839650.db2.gz JQEXWRSQXTYVHZ-NRFANRHFSA-N 2 2 346.478 3.149 10 30 EGEELP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593323626 459842346 /nfs/dbraw/zinc/84/23/46/459842346.db2.gz RMLOOJNYZWNCAQ-UHFFFAOYSA-N 3 2 348.494 3.032 10 30 EGEELP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc4cccnc4o3)CC2)c1 ZINC000593693418 459954624 /nfs/dbraw/zinc/95/46/24/459954624.db2.gz YEHIIHIXJTZETQ-UHFFFAOYSA-N 2 2 346.434 3.454 10 30 EGEELP N#CCc1cc[nH+]c(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000613443193 460951474 /nfs/dbraw/zinc/95/14/74/460951474.db2.gz DZDCDFWAWNEDGR-UHFFFAOYSA-N 2 2 336.439 3.234 10 30 EGEELP C=CCCn1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1 ZINC000653606914 461755375 /nfs/dbraw/zinc/75/53/75/461755375.db2.gz KWNOSWSEQPHESD-OAHLLOKOSA-N 2 2 336.443 3.199 10 30 EGEELP CCC[N@H+](Cc1ccc(Br)cc1C#N)C1CC[NH2+]CC1 ZINC000312243294 1297114928 /nfs/dbraw/zinc/11/49/28/1297114928.db2.gz CXATWZAKMGRAEE-UHFFFAOYSA-N 2 2 336.277 3.285 10 30 EGEELP CCC[N@@H+](Cc1ccc(Br)cc1C#N)C1CC[NH2+]CC1 ZINC000312243294 1297114933 /nfs/dbraw/zinc/11/49/33/1297114933.db2.gz CXATWZAKMGRAEE-UHFFFAOYSA-N 2 2 336.277 3.285 10 30 EGEELP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883237259 1302325933 /nfs/dbraw/zinc/32/59/33/1302325933.db2.gz WUUOQWBAJNOGFP-LEWJYISDSA-N 2 2 328.500 3.407 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000923028528 1322678476 /nfs/dbraw/zinc/67/84/76/1322678476.db2.gz QXRKLLQADKCNHY-FQEVSTJZSA-N 2 2 339.483 3.214 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925413165 1325144389 /nfs/dbraw/zinc/14/43/89/1325144389.db2.gz FHWQJPBHADEOMJ-RLLQIKCJSA-N 2 2 327.472 3.474 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925413165 1325144392 /nfs/dbraw/zinc/14/43/92/1325144392.db2.gz FHWQJPBHADEOMJ-RLLQIKCJSA-N 2 2 327.472 3.474 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940835463 1331211265 /nfs/dbraw/zinc/21/12/65/1331211265.db2.gz CNTLWOMQLCISRB-KRWDZBQOSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940835463 1331211267 /nfs/dbraw/zinc/21/12/67/1331211267.db2.gz CNTLWOMQLCISRB-KRWDZBQOSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001323659600 1387418323 /nfs/dbraw/zinc/41/83/23/1387418323.db2.gz CEWANSSDUKGIBV-ALOPSCKCSA-N 2 2 338.455 3.026 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284072895 1379438293 /nfs/dbraw/zinc/43/82/93/1379438293.db2.gz XBDPNDBWLDYEEQ-NSHGMRRFSA-N 2 2 344.503 3.131 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284072895 1379438296 /nfs/dbraw/zinc/43/82/96/1379438296.db2.gz XBDPNDBWLDYEEQ-NSHGMRRFSA-N 2 2 344.503 3.131 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001330476919 1389426440 /nfs/dbraw/zinc/42/64/40/1389426440.db2.gz XQXCGIMQRJPEDS-FHWLQOOXSA-N 2 2 346.519 3.070 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001330476919 1389426442 /nfs/dbraw/zinc/42/64/42/1389426442.db2.gz XQXCGIMQRJPEDS-FHWLQOOXSA-N 2 2 346.519 3.070 10 30 EGEELP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480319597 1392679546 /nfs/dbraw/zinc/67/95/46/1392679546.db2.gz LOWRZAXEYKSTIP-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480319597 1392679547 /nfs/dbraw/zinc/67/95/47/1392679547.db2.gz LOWRZAXEYKSTIP-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491252752 1394492455 /nfs/dbraw/zinc/49/24/55/1394492455.db2.gz RCLMZYLLPYAOTA-INIZCTEOSA-N 2 2 326.444 3.113 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691828061 1405543368 /nfs/dbraw/zinc/54/33/68/1405543368.db2.gz ZKPDZHJWLJSBHL-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692333194 1405952535 /nfs/dbraw/zinc/95/25/35/1405952535.db2.gz LIWWSDGUJUYGMB-SJORKVTESA-N 2 2 346.519 3.403 10 30 EGEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001732508100 1428627655 /nfs/dbraw/zinc/62/76/55/1428627655.db2.gz LOCLRXBGTIJKLN-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700070646 1413484974 /nfs/dbraw/zinc/48/49/74/1413484974.db2.gz RVQLHVVQXDGPEV-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001700526518 1414188728 /nfs/dbraw/zinc/18/87/28/1414188728.db2.gz ZMRLDRCPWODRHC-ROUUACIJSA-N 2 2 332.492 3.017 10 30 EGEELP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001700526518 1414188730 /nfs/dbraw/zinc/18/87/30/1414188730.db2.gz ZMRLDRCPWODRHC-ROUUACIJSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001700987688 1414630063 /nfs/dbraw/zinc/63/00/63/1414630063.db2.gz VWQHICNVDAYJIZ-INIZCTEOSA-N 2 2 334.508 3.013 10 30 EGEELP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001712996559 1417547980 /nfs/dbraw/zinc/54/79/80/1417547980.db2.gz MMSRWWKTSIKGGE-SJLPKXTDSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001713779839 1418595675 /nfs/dbraw/zinc/59/56/75/1418595675.db2.gz NFEAFQSRABEIRR-IBGZPJMESA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001733178447 1429280681 /nfs/dbraw/zinc/28/06/81/1429280681.db2.gz RGSBSRUIVOWXDK-RDTXWAMCSA-N 2 2 329.488 3.460 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714069702 1418865691 /nfs/dbraw/zinc/86/56/91/1418865691.db2.gz GLOATGQMWBZTGI-WMZOPIPTSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715455453 1420137326 /nfs/dbraw/zinc/13/73/26/1420137326.db2.gz MFZXNQJFHPXTST-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001717237894 1421206009 /nfs/dbraw/zinc/20/60/09/1421206009.db2.gz BBTRAGLSAXJBEZ-UHFFFAOYSA-N 2 2 346.519 3.254 10 30 EGEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308891 1421250731 /nfs/dbraw/zinc/25/07/31/1421250731.db2.gz ADJZPPSQMAGGIU-QZTJIDSGSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308891 1421250734 /nfs/dbraw/zinc/25/07/34/1421250734.db2.gz ADJZPPSQMAGGIU-QZTJIDSGSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944289 1424271020 /nfs/dbraw/zinc/27/10/20/1424271020.db2.gz UAXUVEHXSZFBOP-WBVHZDCISA-N 2 2 340.471 3.407 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724324095 1424811833 /nfs/dbraw/zinc/81/18/33/1424811833.db2.gz OUKXDEAFCRZZBT-FQEVSTJZSA-N 2 2 346.519 3.111 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724324095 1424811836 /nfs/dbraw/zinc/81/18/36/1424811836.db2.gz OUKXDEAFCRZZBT-FQEVSTJZSA-N 2 2 346.519 3.111 10 30 EGEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001733572088 1429775379 /nfs/dbraw/zinc/77/53/79/1429775379.db2.gz PQFFQIZTDGNYDI-UHFFFAOYSA-N 2 2 337.467 3.425 10 30 EGEELP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731535659 1427531796 /nfs/dbraw/zinc/53/17/96/1427531796.db2.gz HKGULZPZOPHOME-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731535659 1427531798 /nfs/dbraw/zinc/53/17/98/1427531798.db2.gz HKGULZPZOPHOME-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001731569191 1427609225 /nfs/dbraw/zinc/60/92/25/1427609225.db2.gz SVQMHUXPIFRDDN-ZLPCBKJTSA-N 2 2 345.487 3.004 10 30 EGEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840972 285030461 /nfs/dbraw/zinc/03/04/61/285030461.db2.gz PUKYKNDNGMAHIN-QUCCMNQESA-N 2 2 327.472 3.026 10 30 EGEELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840972 285030463 /nfs/dbraw/zinc/03/04/63/285030463.db2.gz PUKYKNDNGMAHIN-QUCCMNQESA-N 2 2 327.472 3.026 10 30 EGEELP N#Cc1ccc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000271740300 268167041 /nfs/dbraw/zinc/16/70/41/268167041.db2.gz QLBXMGCJKHYKHS-UHFFFAOYSA-N 2 2 332.407 3.249 10 30 EGEELP N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000156474122 455122717 /nfs/dbraw/zinc/12/27/17/455122717.db2.gz SYLBQLXQPARSCT-SFHVURJKSA-N 2 2 336.439 3.156 10 30 EGEELP N#Cc1cccc(OCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000156474122 455122720 /nfs/dbraw/zinc/12/27/20/455122720.db2.gz SYLBQLXQPARSCT-SFHVURJKSA-N 2 2 336.439 3.156 10 30 EGEELP C(#CC[N@H+](Cc1cccnc1)C1CC1)C[NH+](Cc1cccnc1)C1CC1 ZINC000284261996 455659174 /nfs/dbraw/zinc/65/91/74/455659174.db2.gz WYCGHNILCFIVMZ-UHFFFAOYSA-N 2 2 346.478 3.109 10 30 EGEELP C(#CC[N@@H+](Cc1cccnc1)C1CC1)C[NH+](Cc1cccnc1)C1CC1 ZINC000284261996 455659179 /nfs/dbraw/zinc/65/91/79/455659179.db2.gz WYCGHNILCFIVMZ-UHFFFAOYSA-N 2 2 346.478 3.109 10 30 EGEELP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352836085 456351151 /nfs/dbraw/zinc/35/11/51/456351151.db2.gz RIOIFVXDRJLSJI-UHFFFAOYSA-N 2 2 344.484 3.025 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000354032999 457021421 /nfs/dbraw/zinc/02/14/21/457021421.db2.gz GUOAAQRBKMANGT-SFHVURJKSA-N 2 2 340.515 3.343 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000354032999 457021427 /nfs/dbraw/zinc/02/14/27/457021427.db2.gz GUOAAQRBKMANGT-SFHVURJKSA-N 2 2 340.515 3.343 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000358760104 458199153 /nfs/dbraw/zinc/19/91/53/458199153.db2.gz UXDFBMJQHXOLRU-HXUWFJFHSA-N 2 2 336.483 3.490 10 30 EGEELP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000423296049 458430693 /nfs/dbraw/zinc/43/06/93/458430693.db2.gz YFZOBMWDZZBGEM-QGZVFWFLSA-N 3 2 348.494 3.332 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111316 459247843 /nfs/dbraw/zinc/24/78/43/459247843.db2.gz OXWDGCYKQUBBGF-GCJKJVERSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111316 459247849 /nfs/dbraw/zinc/24/78/49/459247849.db2.gz OXWDGCYKQUBBGF-GCJKJVERSA-N 2 2 348.494 3.025 10 30 EGEELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)[C@H]1c1cccs1 ZINC000573731257 459724891 /nfs/dbraw/zinc/72/48/91/459724891.db2.gz DZLREFBFYHAPMM-LRDDRELGSA-N 2 2 332.498 3.249 10 30 EGEELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)[C@H]1c1cccs1 ZINC000573731257 459724895 /nfs/dbraw/zinc/72/48/95/459724895.db2.gz DZLREFBFYHAPMM-LRDDRELGSA-N 2 2 332.498 3.249 10 30 EGEELP CC(C)(C#N)c1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000599622097 460290385 /nfs/dbraw/zinc/29/03/85/460290385.db2.gz GTHHOLQBKNEEGX-UHFFFAOYSA-N 2 2 341.499 3.174 10 30 EGEELP C=CC[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC[NH2+]1 ZINC000662660743 461340420 /nfs/dbraw/zinc/34/04/20/461340420.db2.gz GDSXTVCHMZESIC-HXUWFJFHSA-N 2 2 338.455 3.400 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721037 1387430418 /nfs/dbraw/zinc/43/04/18/1387430418.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721037 1387430420 /nfs/dbraw/zinc/43/04/20/1387430420.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323721037 1387430423 /nfs/dbraw/zinc/43/04/23/1387430423.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001323721037 1387430426 /nfs/dbraw/zinc/43/04/26/1387430426.db2.gz CMVUQGFKJLAPKH-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324949205 1387845526 /nfs/dbraw/zinc/84/55/26/1387845526.db2.gz XINFKIDQMAKVOE-FQEVSTJZSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324949205 1387845528 /nfs/dbraw/zinc/84/55/28/1387845528.db2.gz XINFKIDQMAKVOE-FQEVSTJZSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001266216221 1377231249 /nfs/dbraw/zinc/23/12/49/1377231249.db2.gz PRPZNXQIQWTZID-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001266216221 1377231251 /nfs/dbraw/zinc/23/12/51/1377231251.db2.gz PRPZNXQIQWTZID-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C#CCCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001146986614 1378952896 /nfs/dbraw/zinc/95/28/96/1378952896.db2.gz GKEUJISPSHXJHN-UHFFFAOYSA-N 2 2 346.390 3.230 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC001284070924 1379432554 /nfs/dbraw/zinc/43/25/54/1379432554.db2.gz KUSPNLGWCBFOEW-ICSRJNTNSA-N 2 2 346.519 3.344 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC001284070924 1379432557 /nfs/dbraw/zinc/43/25/57/1379432557.db2.gz KUSPNLGWCBFOEW-ICSRJNTNSA-N 2 2 346.519 3.344 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001327883831 1388615202 /nfs/dbraw/zinc/61/52/02/1388615202.db2.gz JOMPTQAYKMUAMF-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001316771003 1384569424 /nfs/dbraw/zinc/56/94/24/1384569424.db2.gz RBASIHNFGODKDP-MOPGFXCFSA-N 2 2 346.519 3.379 10 30 EGEELP C#CCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001319656550 1386237341 /nfs/dbraw/zinc/23/73/41/1386237341.db2.gz NVGHMLNAKATLJG-IBGZPJMESA-N 2 2 341.499 3.298 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001333364003 1390290014 /nfs/dbraw/zinc/29/00/14/1390290014.db2.gz LTNIUOQXJUQHCU-INIZCTEOSA-N 2 2 338.455 3.051 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001333364003 1390290017 /nfs/dbraw/zinc/29/00/17/1390290017.db2.gz LTNIUOQXJUQHCU-INIZCTEOSA-N 2 2 338.455 3.051 10 30 EGEELP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480319601 1392679387 /nfs/dbraw/zinc/67/93/87/1392679387.db2.gz LOWRZAXEYKSTIP-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480319601 1392679390 /nfs/dbraw/zinc/67/93/90/1392679390.db2.gz LOWRZAXEYKSTIP-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483940147 1395153878 /nfs/dbraw/zinc/15/38/78/1395153878.db2.gz QNCCOFQBSVMIDO-IBGZPJMESA-N 2 2 338.455 3.033 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001690135121 1404332080 /nfs/dbraw/zinc/33/20/80/1404332080.db2.gz CMIPECOPFHTPLL-UHFFFAOYSA-N 2 2 332.492 3.012 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001690135121 1404332082 /nfs/dbraw/zinc/33/20/82/1404332082.db2.gz CMIPECOPFHTPLL-UHFFFAOYSA-N 2 2 332.492 3.012 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499541 1404612565 /nfs/dbraw/zinc/61/25/65/1404612565.db2.gz WQFVNODAQPEFJB-HZPDHXFCSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499541 1404612569 /nfs/dbraw/zinc/61/25/69/1404612569.db2.gz WQFVNODAQPEFJB-HZPDHXFCSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071408 1428319692 /nfs/dbraw/zinc/31/96/92/1428319692.db2.gz MLFIHDNADIJVFY-HZPDHXFCSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071408 1428319694 /nfs/dbraw/zinc/31/96/94/1428319694.db2.gz MLFIHDNADIJVFY-HZPDHXFCSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001732088361 1428351606 /nfs/dbraw/zinc/35/16/06/1428351606.db2.gz UINFFBXQFZZCKO-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCCC[N@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001732088361 1428351609 /nfs/dbraw/zinc/35/16/09/1428351609.db2.gz UINFFBXQFZZCKO-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001732275565 1428509694 /nfs/dbraw/zinc/50/96/94/1428509694.db2.gz ZOFFOZRWHGZPMF-GOSISDBHSA-N 2 2 346.519 3.111 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001732549993 1428729953 /nfs/dbraw/zinc/72/99/53/1428729953.db2.gz AFPZWXBLUUHOST-GOSISDBHSA-N 2 2 346.519 3.361 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001732549993 1428729954 /nfs/dbraw/zinc/72/99/54/1428729954.db2.gz AFPZWXBLUUHOST-GOSISDBHSA-N 2 2 346.519 3.361 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700104648 1413522746 /nfs/dbraw/zinc/52/27/46/1413522746.db2.gz VPCPCKWTZUUCQE-BZSNNMDCSA-N 2 2 332.492 3.065 10 30 EGEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700435664 1414002025 /nfs/dbraw/zinc/00/20/25/1414002025.db2.gz SOBFTNBRRZSVSF-AOCRQIFASA-N 2 2 332.492 3.160 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700696923 1414355277 /nfs/dbraw/zinc/35/52/77/1414355277.db2.gz QABKUUFMJJPZOB-SJORKVTESA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700696923 1414355279 /nfs/dbraw/zinc/35/52/79/1414355279.db2.gz QABKUUFMJJPZOB-SJORKVTESA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001733178446 1429280312 /nfs/dbraw/zinc/28/03/12/1429280312.db2.gz RGSBSRUIVOWXDK-KSSFIOAISA-N 2 2 329.488 3.460 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977381 1418758212 /nfs/dbraw/zinc/75/82/12/1418758212.db2.gz XFKVTLCABAEBSA-MSOLQXFVSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977381 1418758217 /nfs/dbraw/zinc/75/82/17/1418758217.db2.gz XFKVTLCABAEBSA-MSOLQXFVSA-N 2 2 346.519 3.236 10 30 EGEELP CC#CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001715399485 1420097488 /nfs/dbraw/zinc/09/74/88/1420097488.db2.gz GVVIKMIISLSMOO-LJQANCHMSA-N 2 2 341.499 3.298 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716895678 1421022471 /nfs/dbraw/zinc/02/24/71/1421022471.db2.gz KRCSURRPVHALGX-FQEVSTJZSA-N 2 2 340.471 3.361 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716895678 1421022474 /nfs/dbraw/zinc/02/24/74/1421022474.db2.gz KRCSURRPVHALGX-FQEVSTJZSA-N 2 2 340.471 3.361 10 30 EGEELP C=CCC[N@@H+](CC)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725028240 1425448451 /nfs/dbraw/zinc/44/84/51/1425448451.db2.gz XDPBRMBUILBFTO-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCC[N@H+](CC)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725028240 1425448453 /nfs/dbraw/zinc/44/84/53/1425448453.db2.gz XDPBRMBUILBFTO-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767016 1429990660 /nfs/dbraw/zinc/99/06/60/1429990660.db2.gz NWKYKPORGCOGQI-ROUUACIJSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767016 1429990663 /nfs/dbraw/zinc/99/06/63/1429990663.db2.gz NWKYKPORGCOGQI-ROUUACIJSA-N 2 2 349.906 3.013 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001734456013 1438113381 /nfs/dbraw/zinc/11/33/81/1438113381.db2.gz WUBASXNHSVBRNL-AEFFLSMTSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001734456013 1438113382 /nfs/dbraw/zinc/11/33/82/1438113382.db2.gz WUBASXNHSVBRNL-AEFFLSMTSA-N 2 2 340.471 3.192 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccsc3)CC2)cc1 ZINC000181436888 234185615 /nfs/dbraw/zinc/18/56/15/234185615.db2.gz QUZLWWPXURYAJC-UHFFFAOYSA-N 2 2 325.481 3.416 10 30 EGEELP CC1CC[NH+]([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc2)CC1 ZINC000600721611 460579426 /nfs/dbraw/zinc/57/94/26/460579426.db2.gz UYBWZDZYLJUNNP-WOJBJXKFSA-N 2 2 341.499 3.104 10 30 EGEELP C[NH+]=C(NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccco1 ZINC000071843637 454229948 /nfs/dbraw/zinc/22/99/48/454229948.db2.gz MSTMCMKANNHNLI-KRWDZBQOSA-N 2 2 327.428 3.091 10 30 EGEELP COc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)c1 ZINC000048778393 454514728 /nfs/dbraw/zinc/51/47/28/454514728.db2.gz KBEAHXMMYGJONJ-UHFFFAOYSA-N 2 2 335.451 3.321 10 30 EGEELP C=CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000127739766 454993378 /nfs/dbraw/zinc/99/33/78/454993378.db2.gz QECVIJFBHKOVRH-UHFFFAOYSA-N 2 2 330.472 3.320 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190467932 455325821 /nfs/dbraw/zinc/32/58/21/455325821.db2.gz PTTBMMMNYQLUBI-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000190467932 455325824 /nfs/dbraw/zinc/32/58/24/455325824.db2.gz PTTBMMMNYQLUBI-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000190467932 455325827 /nfs/dbraw/zinc/32/58/27/455325827.db2.gz PTTBMMMNYQLUBI-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190467932 455325829 /nfs/dbraw/zinc/32/58/29/455325829.db2.gz PTTBMMMNYQLUBI-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP C(#CC[N@@H+]1CCC[C@H]1c1ccccn1)C[NH+]1CCC[C@@H]1c1ccccn1 ZINC000551386975 458888233 /nfs/dbraw/zinc/88/82/33/458888233.db2.gz IYOSFWJUSOMLJB-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@H]1c1ccccn1)C[NH+]1CCC[C@@H]1c1ccccn1 ZINC000551386975 458888236 /nfs/dbraw/zinc/88/82/36/458888236.db2.gz IYOSFWJUSOMLJB-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@@H+]1CCC[C@@H]1c1ccccn1)C[NH+]1CCC[C@H]1c1ccccn1 ZINC000551386975 458888240 /nfs/dbraw/zinc/88/82/40/458888240.db2.gz IYOSFWJUSOMLJB-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@@H]1c1ccccn1)C[NH+]1CCC[C@H]1c1ccccn1 ZINC000551386975 458888243 /nfs/dbraw/zinc/88/82/43/458888243.db2.gz IYOSFWJUSOMLJB-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594493421 459059504 /nfs/dbraw/zinc/05/95/04/459059504.db2.gz MVHJIVZKYUBQLM-CALCHBBNSA-N 2 2 329.488 3.077 10 30 EGEELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594493421 459059507 /nfs/dbraw/zinc/05/95/07/459059507.db2.gz MVHJIVZKYUBQLM-CALCHBBNSA-N 2 2 329.488 3.077 10 30 EGEELP C=CCC[C@H](O)C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135603 459292232 /nfs/dbraw/zinc/29/22/32/459292232.db2.gz NUTTUBMLMRHOCH-VQTJNVASSA-N 2 2 330.516 3.376 10 30 EGEELP C=CCC[C@H](O)C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135603 459292237 /nfs/dbraw/zinc/29/22/37/459292237.db2.gz NUTTUBMLMRHOCH-VQTJNVASSA-N 2 2 330.516 3.376 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592086539 459521896 /nfs/dbraw/zinc/52/18/96/459521896.db2.gz JYKVBTBVWWBBCW-SFHVURJKSA-N 2 2 331.423 3.276 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592086539 459521900 /nfs/dbraw/zinc/52/19/00/459521900.db2.gz JYKVBTBVWWBBCW-SFHVURJKSA-N 2 2 331.423 3.276 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000610994651 460275101 /nfs/dbraw/zinc/27/51/01/460275101.db2.gz LMTOXUZLWFXCKO-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000610994651 460275105 /nfs/dbraw/zinc/27/51/05/460275105.db2.gz LMTOXUZLWFXCKO-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994651 460275109 /nfs/dbraw/zinc/27/51/09/460275109.db2.gz LMTOXUZLWFXCKO-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994651 460275110 /nfs/dbraw/zinc/27/51/10/460275110.db2.gz LMTOXUZLWFXCKO-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C=CCC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)[C@H]1CCCO1 ZINC000883212566 1302310079 /nfs/dbraw/zinc/31/00/79/1302310079.db2.gz KRFQUCSYJKBLKR-CEXWTWQISA-N 2 2 344.503 3.148 10 30 EGEELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000895827236 1309541289 /nfs/dbraw/zinc/54/12/89/1309541289.db2.gz IFIGRMDUZNWREI-QGZVFWFLSA-N 2 2 327.472 3.428 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323859460 1387479511 /nfs/dbraw/zinc/47/95/11/1387479511.db2.gz WPKLDXPPRKBGKD-FQEVSTJZSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323859460 1387479514 /nfs/dbraw/zinc/47/95/14/1387479514.db2.gz WPKLDXPPRKBGKD-FQEVSTJZSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323859460 1387479517 /nfs/dbraw/zinc/47/95/17/1387479517.db2.gz WPKLDXPPRKBGKD-FQEVSTJZSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323859460 1387479519 /nfs/dbraw/zinc/47/95/19/1387479519.db2.gz WPKLDXPPRKBGKD-FQEVSTJZSA-N 2 2 346.519 3.237 10 30 EGEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc2ccccc2c1 ZINC001324452171 1387626190 /nfs/dbraw/zinc/62/61/90/1387626190.db2.gz TXNHKYVOSAXQBC-HXUWFJFHSA-N 2 2 348.450 3.047 10 30 EGEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001266216218 1377231662 /nfs/dbraw/zinc/23/16/62/1377231662.db2.gz PRPZNXQIQWTZID-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001266216218 1377231665 /nfs/dbraw/zinc/23/16/65/1377231665.db2.gz PRPZNXQIQWTZID-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001283441722 1378936254 /nfs/dbraw/zinc/93/62/54/1378936254.db2.gz JTFGHIDVYDMKKY-MRXNPFEDSA-N 2 2 348.878 3.129 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085360 1384233784 /nfs/dbraw/zinc/23/37/84/1384233784.db2.gz HTFDMLVMXZQVOL-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085360 1384233787 /nfs/dbraw/zinc/23/37/87/1384233787.db2.gz HTFDMLVMXZQVOL-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085360 1384233789 /nfs/dbraw/zinc/23/37/89/1384233789.db2.gz HTFDMLVMXZQVOL-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085360 1384233792 /nfs/dbraw/zinc/23/37/92/1384233792.db2.gz HTFDMLVMXZQVOL-KRWDZBQOSA-N 2 2 340.496 3.277 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001319658246 1386238058 /nfs/dbraw/zinc/23/80/58/1386238058.db2.gz WSLSWTSFDJFBEJ-KZNAEPCWSA-N 2 2 344.503 3.134 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001319658246 1386238063 /nfs/dbraw/zinc/23/80/63/1386238063.db2.gz WSLSWTSFDJFBEJ-KZNAEPCWSA-N 2 2 344.503 3.134 10 30 EGEELP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001319816698 1386312986 /nfs/dbraw/zinc/31/29/86/1386312986.db2.gz KGLQCWOGKZQCFM-SJLPKXTDSA-N 2 2 329.488 3.413 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481677906 1394444396 /nfs/dbraw/zinc/44/43/96/1394444396.db2.gz DKJQKOZTAGPUPZ-SQNIBIBYSA-N 2 2 332.492 3.090 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481677906 1394444397 /nfs/dbraw/zinc/44/43/97/1394444397.db2.gz DKJQKOZTAGPUPZ-SQNIBIBYSA-N 2 2 332.492 3.090 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001502727004 1396221302 /nfs/dbraw/zinc/22/13/02/1396221302.db2.gz BXTHZYQPRFCOBP-DLBZAZTESA-N 2 2 342.487 3.355 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498485214 1397030784 /nfs/dbraw/zinc/03/07/84/1397030784.db2.gz LSOFUGVOYWXECS-GOEBONIOSA-N 2 2 326.444 3.017 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001692132477 1405790022 /nfs/dbraw/zinc/79/00/22/1405790022.db2.gz YECCRPPIMMVQMB-GOSISDBHSA-N 2 2 348.535 3.294 10 30 EGEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001732508102 1428627601 /nfs/dbraw/zinc/62/76/01/1428627601.db2.gz LOCLRXBGTIJKLN-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001700513369 1414163553 /nfs/dbraw/zinc/16/35/53/1414163553.db2.gz AOYIRPAOKLVSFG-UHFFFAOYSA-N 2 2 340.471 3.323 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001707124718 1417211113 /nfs/dbraw/zinc/21/11/13/1417211113.db2.gz LUWBDTUSIHBKRJ-SJORKVTESA-N 2 2 344.503 3.010 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713435192 1418065609 /nfs/dbraw/zinc/06/56/09/1418065609.db2.gz NPAXCWZBEDQTRB-INIZCTEOSA-N 2 2 326.444 3.113 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713435192 1418065614 /nfs/dbraw/zinc/06/56/14/1418065614.db2.gz NPAXCWZBEDQTRB-INIZCTEOSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131121 1418934482 /nfs/dbraw/zinc/93/44/82/1418934482.db2.gz CYOQNPITZQBCMD-DLBZAZTESA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715059332 1419798879 /nfs/dbraw/zinc/79/88/79/1419798879.db2.gz RJLGSJRGYYDCCO-RHSMWYFYSA-N 2 2 328.460 3.095 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488567 1420708308 /nfs/dbraw/zinc/70/83/08/1420708308.db2.gz PGJIMRQXXVKADA-SJORKVTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001716488567 1420708309 /nfs/dbraw/zinc/70/83/09/1420708309.db2.gz PGJIMRQXXVKADA-SJORKVTESA-N 2 2 340.471 3.277 10 30 EGEELP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001717005877 1421074237 /nfs/dbraw/zinc/07/42/37/1421074237.db2.gz SHKMOIUNTNFMTK-UHFFFAOYSA-N 2 2 348.450 3.142 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001717962162 1421733452 /nfs/dbraw/zinc/73/34/52/1421733452.db2.gz ZCFNOEHFCGATPT-RDJZCZTQSA-N 2 2 342.487 3.423 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001733328186 1429513410 /nfs/dbraw/zinc/51/34/10/1429513410.db2.gz PSIPDLRTJCQSIO-ZBFHGGJFSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001725746299 1426424108 /nfs/dbraw/zinc/42/41/08/1426424108.db2.gz SLGKHWSBKYAKCG-INIZCTEOSA-N 2 2 328.460 3.035 10 30 EGEELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459420733 270054791 /nfs/dbraw/zinc/05/47/91/270054791.db2.gz IHZKDXGTYQYYQK-UHFFFAOYSA-N 2 2 341.415 3.138 10 30 EGEELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459420733 270054792 /nfs/dbraw/zinc/05/47/92/270054792.db2.gz IHZKDXGTYQYYQK-UHFFFAOYSA-N 2 2 341.415 3.138 10 30 EGEELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000246226465 455453416 /nfs/dbraw/zinc/45/34/16/455453416.db2.gz LZDKTNRAAFXWDO-FXAWDEMLSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000246226465 455453421 /nfs/dbraw/zinc/45/34/21/455453421.db2.gz LZDKTNRAAFXWDO-FXAWDEMLSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271329 455939301 /nfs/dbraw/zinc/93/93/01/455939301.db2.gz KEOBYEWCVZKTEA-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271329 455939306 /nfs/dbraw/zinc/93/93/06/455939306.db2.gz KEOBYEWCVZKTEA-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195271329 455939311 /nfs/dbraw/zinc/93/93/11/455939311.db2.gz KEOBYEWCVZKTEA-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195271329 455939316 /nfs/dbraw/zinc/93/93/16/455939316.db2.gz KEOBYEWCVZKTEA-YLJYHZDGSA-N 2 2 334.467 3.468 10 30 EGEELP C=CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000271218656 456178686 /nfs/dbraw/zinc/17/86/86/456178686.db2.gz ZCCBQQUHGLPERL-UHFFFAOYSA-N 2 2 327.428 3.363 10 30 EGEELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(C#N)o3)CC2)c[nH+]1 ZINC000328628686 456723795 /nfs/dbraw/zinc/72/37/95/456723795.db2.gz HMTUZMXFAMUFTG-OAHLLOKOSA-N 2 2 339.443 3.079 10 30 EGEELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)c[nH+]1 ZINC000328628686 456723801 /nfs/dbraw/zinc/72/38/01/456723801.db2.gz HMTUZMXFAMUFTG-OAHLLOKOSA-N 2 2 339.443 3.079 10 30 EGEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC000329793026 456941916 /nfs/dbraw/zinc/94/19/16/456941916.db2.gz VJTQVTYHLDVVOL-MAUKXSAKSA-N 2 2 344.503 3.326 10 30 EGEELP CC[C@@H]([NH2+]CC#CC[NH2+][C@H](CC)c1nccs1)c1nccs1 ZINC000341913488 456998650 /nfs/dbraw/zinc/99/86/50/456998650.db2.gz TYIDLMSJZXJUPR-ZIAGYGMSSA-N 2 2 334.514 3.385 10 30 EGEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122397 457466592 /nfs/dbraw/zinc/46/65/92/457466592.db2.gz GXFGZQOPESVLAF-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122397 457466597 /nfs/dbraw/zinc/46/65/97/457466597.db2.gz GXFGZQOPESVLAF-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122397 457466600 /nfs/dbraw/zinc/46/66/00/457466600.db2.gz GXFGZQOPESVLAF-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21 ZINC000356122397 457466607 /nfs/dbraw/zinc/46/66/07/457466607.db2.gz GXFGZQOPESVLAF-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037493 457922220 /nfs/dbraw/zinc/92/22/20/457922220.db2.gz SXIVLFMMULOJDF-CKVGWXAMSA-N 2 2 326.488 3.212 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037493 457922226 /nfs/dbraw/zinc/92/22/26/457922226.db2.gz SXIVLFMMULOJDF-CKVGWXAMSA-N 2 2 326.488 3.212 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037495 457923060 /nfs/dbraw/zinc/92/30/60/457923060.db2.gz SXIVLFMMULOJDF-NNZWXOEDSA-N 2 2 326.488 3.212 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037495 457923067 /nfs/dbraw/zinc/92/30/67/457923067.db2.gz SXIVLFMMULOJDF-NNZWXOEDSA-N 2 2 326.488 3.212 10 30 EGEELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770363 458589827 /nfs/dbraw/zinc/58/98/27/458589827.db2.gz UOEMWDLNSJEMLS-YLJYHZDGSA-N 2 2 348.918 3.418 10 30 EGEELP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000469770363 458589831 /nfs/dbraw/zinc/58/98/31/458589831.db2.gz UOEMWDLNSJEMLS-YLJYHZDGSA-N 2 2 348.918 3.418 10 30 EGEELP N#CCCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000594506265 459067158 /nfs/dbraw/zinc/06/71/58/459067158.db2.gz OHKMEHPYACEJAQ-WOJBJXKFSA-N 2 2 327.472 3.264 10 30 EGEELP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594955819 459192447 /nfs/dbraw/zinc/19/24/47/459192447.db2.gz FGPSWLKTQZPTIJ-HXUWFJFHSA-N 2 2 341.499 3.317 10 30 EGEELP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000595006604 459212971 /nfs/dbraw/zinc/21/29/71/459212971.db2.gz LVWPEGCGBDVLAC-VGOFRKELSA-N 2 2 349.478 3.234 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111319 459248161 /nfs/dbraw/zinc/24/81/61/459248161.db2.gz OXWDGCYKQUBBGF-XMSQKQJNSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111319 459248165 /nfs/dbraw/zinc/24/81/65/459248165.db2.gz OXWDGCYKQUBBGF-XMSQKQJNSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000610994655 460274513 /nfs/dbraw/zinc/27/45/13/460274513.db2.gz LMTOXUZLWFXCKO-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000610994655 460274516 /nfs/dbraw/zinc/27/45/16/460274516.db2.gz LMTOXUZLWFXCKO-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994655 460274518 /nfs/dbraw/zinc/27/45/18/460274518.db2.gz LMTOXUZLWFXCKO-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994655 460274521 /nfs/dbraw/zinc/27/45/21/460274521.db2.gz LMTOXUZLWFXCKO-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611127197 460293836 /nfs/dbraw/zinc/29/38/36/460293836.db2.gz GWYFLNKWUYVWMB-GOSISDBHSA-N 2 2 331.423 3.276 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000611127197 460293841 /nfs/dbraw/zinc/29/38/41/460293841.db2.gz GWYFLNKWUYVWMB-GOSISDBHSA-N 2 2 331.423 3.276 10 30 EGEELP C=CC[NH+]1CCC(Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656121656 461604249 /nfs/dbraw/zinc/60/42/49/461604249.db2.gz RBUDWWBHJCFOBA-UHFFFAOYSA-N 2 2 329.492 3.165 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000662090417 462522978 /nfs/dbraw/zinc/52/29/78/462522978.db2.gz OVPBBWXGSKAEMA-HBMCJLEFSA-N 2 2 326.484 3.461 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000662090417 462522980 /nfs/dbraw/zinc/52/29/80/462522980.db2.gz OVPBBWXGSKAEMA-HBMCJLEFSA-N 2 2 326.484 3.461 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000662090417 462522982 /nfs/dbraw/zinc/52/29/82/462522982.db2.gz OVPBBWXGSKAEMA-HBMCJLEFSA-N 2 2 326.484 3.461 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000662090417 462522984 /nfs/dbraw/zinc/52/29/84/462522984.db2.gz OVPBBWXGSKAEMA-HBMCJLEFSA-N 2 2 326.484 3.461 10 30 EGEELP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883237262 1302326415 /nfs/dbraw/zinc/32/64/15/1302326415.db2.gz WUUOQWBAJNOGFP-SFTDATJTSA-N 2 2 328.500 3.407 10 30 EGEELP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000895822681 1309536769 /nfs/dbraw/zinc/53/67/69/1309536769.db2.gz QNVGTVYZALYBBA-UHFFFAOYSA-N 2 2 326.488 3.075 10 30 EGEELP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866267663 1330087620 /nfs/dbraw/zinc/08/76/20/1330087620.db2.gz PQNISJNGCNTURM-CYBMUJFWSA-N 2 2 327.403 3.315 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324891855 1387807655 /nfs/dbraw/zinc/80/76/55/1387807655.db2.gz FBJPZGTUZKBTEW-SJORKVTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324891855 1387807657 /nfs/dbraw/zinc/80/76/57/1387807657.db2.gz FBJPZGTUZKBTEW-SJORKVTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001319816696 1386313021 /nfs/dbraw/zinc/31/30/21/1386313021.db2.gz KGLQCWOGKZQCFM-AEFFLSMTSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[NH2+]C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@H]1C ZINC001698660897 1406311780 /nfs/dbraw/zinc/31/17/80/1406311780.db2.gz NPMZBOWDPPYWPU-QRWLVFNGSA-N 2 2 340.471 3.407 10 30 EGEELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001320683082 1386690602 /nfs/dbraw/zinc/69/06/02/1386690602.db2.gz BCFBJKKZTLYYRF-UHFFFAOYSA-N 2 2 343.390 3.383 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001332149642 1390008242 /nfs/dbraw/zinc/00/82/42/1390008242.db2.gz UVWXKOYYNHRHRK-NZSAHSFTSA-N 2 2 346.519 3.139 10 30 EGEELP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)N1CC#N ZINC001334383184 1390528900 /nfs/dbraw/zinc/52/89/00/1390528900.db2.gz GCFKSUOYQQPSQI-KDURUIRLSA-N 2 2 342.531 3.063 10 30 EGEELP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)N1CC#N ZINC001334383184 1390528903 /nfs/dbraw/zinc/52/89/03/1390528903.db2.gz GCFKSUOYQQPSQI-KDURUIRLSA-N 2 2 342.531 3.063 10 30 EGEELP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)N1CC#N ZINC001334383184 1390528904 /nfs/dbraw/zinc/52/89/04/1390528904.db2.gz GCFKSUOYQQPSQI-KDURUIRLSA-N 2 2 342.531 3.063 10 30 EGEELP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)N1CC#N ZINC001334383184 1390528906 /nfs/dbraw/zinc/52/89/06/1390528906.db2.gz GCFKSUOYQQPSQI-KDURUIRLSA-N 2 2 342.531 3.063 10 30 EGEELP C=CCC[NH2+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001480406780 1392743688 /nfs/dbraw/zinc/74/36/88/1392743688.db2.gz MBJRBLPLGRZFTQ-UHFFFAOYSA-N 2 2 338.455 3.079 10 30 EGEELP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480738509 1392903907 /nfs/dbraw/zinc/90/39/07/1392903907.db2.gz GDQDUFNBMWFIIP-KRWDZBQOSA-N 2 2 346.519 3.357 10 30 EGEELP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480738509 1392903910 /nfs/dbraw/zinc/90/39/10/1392903910.db2.gz GDQDUFNBMWFIIP-KRWDZBQOSA-N 2 2 346.519 3.357 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001690022962 1404261782 /nfs/dbraw/zinc/26/17/82/1404261782.db2.gz ACDKRBNUKXPIQZ-IBGZPJMESA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690416226 1404546997 /nfs/dbraw/zinc/54/69/97/1404546997.db2.gz JBFVSZMITMDXSL-GOSISDBHSA-N 2 2 329.488 3.415 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823429 1405539213 /nfs/dbraw/zinc/53/92/13/1405539213.db2.gz OWVQRTDPTPPDEP-SFHVURJKSA-N 2 2 348.535 3.460 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823429 1405539216 /nfs/dbraw/zinc/53/92/16/1405539216.db2.gz OWVQRTDPTPPDEP-SFHVURJKSA-N 2 2 348.535 3.460 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968261 1405684252 /nfs/dbraw/zinc/68/42/52/1405684252.db2.gz FXMYRMYGEUUDPR-DLBZAZTESA-N 2 2 340.471 3.083 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968261 1405684258 /nfs/dbraw/zinc/68/42/58/1405684258.db2.gz FXMYRMYGEUUDPR-DLBZAZTESA-N 2 2 340.471 3.083 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692129492 1405788302 /nfs/dbraw/zinc/78/83/02/1405788302.db2.gz VONITWYXCTYDKZ-ZWKOTPCHSA-N 2 2 332.492 3.161 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001700100487 1413517849 /nfs/dbraw/zinc/51/78/49/1413517849.db2.gz VMXNGCIINVUPBS-HOTGVXAUSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001700100487 1413517851 /nfs/dbraw/zinc/51/78/51/1413517851.db2.gz VMXNGCIINVUPBS-HOTGVXAUSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001707124714 1417211176 /nfs/dbraw/zinc/21/11/76/1417211176.db2.gz LUWBDTUSIHBKRJ-IRXDYDNUSA-N 2 2 344.503 3.010 10 30 EGEELP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733075586 1429230385 /nfs/dbraw/zinc/23/03/85/1429230385.db2.gz VTJMWOVNJPHDAW-ROUUACIJSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001713780977 1418596660 /nfs/dbraw/zinc/59/66/60/1418596660.db2.gz LNBDUFVTFHTIHB-MRXNPFEDSA-N 2 2 340.471 3.225 10 30 EGEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714802916 1419516355 /nfs/dbraw/zinc/51/63/55/1419516355.db2.gz CVSBQYMRQILXMU-HKUYNNGSSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220548 1429340552 /nfs/dbraw/zinc/34/05/52/1429340552.db2.gz GIWRRRVWXVNKMZ-LPHOPBHVSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220548 1429340553 /nfs/dbraw/zinc/34/05/53/1429340553.db2.gz GIWRRRVWXVNKMZ-LPHOPBHVSA-N 2 2 338.455 3.031 10 30 EGEELP C=CC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001714834673 1419546387 /nfs/dbraw/zinc/54/63/87/1419546387.db2.gz KTSFBCMOXBTNSL-IBGZPJMESA-N 2 2 340.471 3.017 10 30 EGEELP C=CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001714973804 1419708608 /nfs/dbraw/zinc/70/86/08/1419708608.db2.gz AAHBKMUJHIZLNA-GOSISDBHSA-N 2 2 329.488 3.461 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015690 1419743700 /nfs/dbraw/zinc/74/37/00/1419743700.db2.gz CJESOUWLXXPYEU-GOEBONIOSA-N 2 2 326.444 3.064 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015690 1419743703 /nfs/dbraw/zinc/74/37/03/1419743703.db2.gz CJESOUWLXXPYEU-GOEBONIOSA-N 2 2 326.444 3.064 10 30 EGEELP C=CC[NH2+]C[C@@]1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC[C@@H]1C ZINC001715126580 1419872913 /nfs/dbraw/zinc/87/29/13/1419872913.db2.gz CFRPVOHJYVQCFK-YWZLYKJASA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715393858 1420091597 /nfs/dbraw/zinc/09/15/97/1420091597.db2.gz XXLINPUDQUNEGA-YJBOKZPZSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715455451 1420137220 /nfs/dbraw/zinc/13/72/20/1420137220.db2.gz MFZXNQJFHPXTST-IRXDYDNUSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001715494189 1420175645 /nfs/dbraw/zinc/17/56/45/1420175645.db2.gz FPBTYTXPPZKYNS-JKSUJKDBSA-N 2 2 328.460 3.033 10 30 EGEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733433095 1429640381 /nfs/dbraw/zinc/64/03/81/1429640381.db2.gz VXDXURLAAUNWLZ-ICSRJNTNSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001725255569 1425879358 /nfs/dbraw/zinc/87/93/58/1425879358.db2.gz OERMOOYSDKQPCY-HNNXBMFYSA-N 2 2 340.471 3.359 10 30 EGEELP CC[NH+](CC)CCN(Cc1c[nH+]c2ccc(C#N)cn12)CC(C)C ZINC000091707899 454462287 /nfs/dbraw/zinc/46/22/87/454462287.db2.gz SCJSWDUKAKRVKX-UHFFFAOYSA-N 2 2 327.476 3.006 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123842575 454681350 /nfs/dbraw/zinc/68/13/50/454681350.db2.gz YDCABBHAZRURAO-HZPDHXFCSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123842575 454681355 /nfs/dbraw/zinc/68/13/55/454681355.db2.gz YDCABBHAZRURAO-HZPDHXFCSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123842575 454681359 /nfs/dbraw/zinc/68/13/59/454681359.db2.gz YDCABBHAZRURAO-HZPDHXFCSA-N 2 2 347.528 3.318 10 30 EGEELP C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123842575 454681363 /nfs/dbraw/zinc/68/13/63/454681363.db2.gz YDCABBHAZRURAO-HZPDHXFCSA-N 2 2 347.528 3.318 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000190456903 455322137 /nfs/dbraw/zinc/32/21/37/455322137.db2.gz SMWRNHNDGPJLSH-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000190456903 455322140 /nfs/dbraw/zinc/32/21/40/455322140.db2.gz SMWRNHNDGPJLSH-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190456903 455322148 /nfs/dbraw/zinc/32/21/48/455322148.db2.gz SMWRNHNDGPJLSH-AWEZNQCLSA-N 2 2 346.525 3.339 10 30 EGEELP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169462 455693972 /nfs/dbraw/zinc/69/39/72/455693972.db2.gz ULBKZORHEBWVHD-SJLPKXTDSA-N 2 2 336.401 3.473 10 30 EGEELP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169462 455693976 /nfs/dbraw/zinc/69/39/76/455693976.db2.gz ULBKZORHEBWVHD-SJLPKXTDSA-N 2 2 336.401 3.473 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169462 455693981 /nfs/dbraw/zinc/69/39/81/455693981.db2.gz ULBKZORHEBWVHD-SJLPKXTDSA-N 2 2 336.401 3.473 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169462 455693986 /nfs/dbraw/zinc/69/39/86/455693986.db2.gz ULBKZORHEBWVHD-SJLPKXTDSA-N 2 2 336.401 3.473 10 30 EGEELP Cc1cccc(CN(CC[NH+](C)C)Cc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000349300384 456936159 /nfs/dbraw/zinc/93/61/59/456936159.db2.gz SKGSZEBCRCJLPX-UHFFFAOYSA-N 2 2 347.466 3.078 10 30 EGEELP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000346701226 457118387 /nfs/dbraw/zinc/11/83/87/457118387.db2.gz RQVKVQPZINOTTF-FXAWDEMLSA-N 2 2 335.451 3.190 10 30 EGEELP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000346701226 457118391 /nfs/dbraw/zinc/11/83/91/457118391.db2.gz RQVKVQPZINOTTF-FXAWDEMLSA-N 2 2 335.451 3.190 10 30 EGEELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OCCCC#N ZINC000594961769 459194553 /nfs/dbraw/zinc/19/45/53/459194553.db2.gz HOLPTMIEJVPVHV-QGZVFWFLSA-N 2 2 345.487 3.340 10 30 EGEELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OCCCC#N ZINC000594961769 459194561 /nfs/dbraw/zinc/19/45/61/459194561.db2.gz HOLPTMIEJVPVHV-QGZVFWFLSA-N 2 2 345.487 3.340 10 30 EGEELP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601965832 460965352 /nfs/dbraw/zinc/96/53/52/460965352.db2.gz ABUCOJKURNLUKU-VQTJNVASSA-N 2 2 343.515 3.322 10 30 EGEELP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601965832 460965358 /nfs/dbraw/zinc/96/53/58/460965358.db2.gz ABUCOJKURNLUKU-VQTJNVASSA-N 2 2 343.515 3.322 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000735309445 575638925 /nfs/dbraw/zinc/63/89/25/575638925.db2.gz OEOHRRPLMDRANU-INIZCTEOSA-N 2 2 330.819 3.276 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000735309445 575638926 /nfs/dbraw/zinc/63/89/26/575638926.db2.gz OEOHRRPLMDRANU-INIZCTEOSA-N 2 2 330.819 3.276 10 30 EGEELP C=CCC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1CCCO1 ZINC000883212569 1302309329 /nfs/dbraw/zinc/30/93/29/1302309329.db2.gz KRFQUCSYJKBLKR-QYZOEREBSA-N 2 2 344.503 3.148 10 30 EGEELP C=CC[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865454147 1329699333 /nfs/dbraw/zinc/69/93/33/1329699333.db2.gz RPFFSZWKMIFYRJ-UHFFFAOYSA-N 2 2 332.341 3.464 10 30 EGEELP C=CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc2ccccc2c1 ZINC001324452168 1387625972 /nfs/dbraw/zinc/62/59/72/1387625972.db2.gz TXNHKYVOSAXQBC-FQEVSTJZSA-N 2 2 348.450 3.047 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284072894 1379438698 /nfs/dbraw/zinc/43/86/98/1379438698.db2.gz XBDPNDBWLDYEEQ-NLWGTHIKSA-N 2 2 344.503 3.131 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284072894 1379438699 /nfs/dbraw/zinc/43/86/99/1379438699.db2.gz XBDPNDBWLDYEEQ-NLWGTHIKSA-N 2 2 344.503 3.131 10 30 EGEELP C=CCC[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001284614532 1380013771 /nfs/dbraw/zinc/01/37/71/1380013771.db2.gz SRWWKEDJWCHHIZ-SFHVURJKSA-N 2 2 340.471 3.183 10 30 EGEELP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001308421775 1384124921 /nfs/dbraw/zinc/12/49/21/1384124921.db2.gz BDFHNFDLBVYBCI-UHFFFAOYSA-N 2 2 348.853 3.018 10 30 EGEELP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001308421775 1384124923 /nfs/dbraw/zinc/12/49/23/1384124923.db2.gz BDFHNFDLBVYBCI-UHFFFAOYSA-N 2 2 348.853 3.018 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085361 1384233653 /nfs/dbraw/zinc/23/36/53/1384233653.db2.gz HTFDMLVMXZQVOL-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085361 1384233658 /nfs/dbraw/zinc/23/36/58/1384233658.db2.gz HTFDMLVMXZQVOL-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085361 1384233660 /nfs/dbraw/zinc/23/36/60/1384233660.db2.gz HTFDMLVMXZQVOL-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc(C#N)ccn3)C2)s1 ZINC001170085361 1384233663 /nfs/dbraw/zinc/23/36/63/1384233663.db2.gz HTFDMLVMXZQVOL-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP C=C(C)C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001317721056 1385421230 /nfs/dbraw/zinc/42/12/30/1385421230.db2.gz RCYDUBSFOLMSKS-IBGZPJMESA-N 2 2 334.423 3.200 10 30 EGEELP C#CCOCC[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176650410 1385646441 /nfs/dbraw/zinc/64/64/41/1385646441.db2.gz SKHYDYZDNVKTPZ-XZOQPEGZSA-N 2 2 348.490 3.284 10 30 EGEELP C#CCOCC[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176650410 1385646448 /nfs/dbraw/zinc/64/64/48/1385646448.db2.gz SKHYDYZDNVKTPZ-XZOQPEGZSA-N 2 2 348.490 3.284 10 30 EGEELP C=C(C)C[NH2+]CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001318904514 1385876032 /nfs/dbraw/zinc/87/60/32/1385876032.db2.gz JNIRBFPDDMWCMJ-UHFFFAOYSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319852451 1386335377 /nfs/dbraw/zinc/33/53/77/1386335377.db2.gz FXUWABBUWLWONA-AEFFLSMTSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001698693923 1406337842 /nfs/dbraw/zinc/33/78/42/1406337842.db2.gz KFOYUMNODTTZCM-UHFFFAOYSA-N 2 2 346.519 3.111 10 30 EGEELP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001331303213 1389692736 /nfs/dbraw/zinc/69/27/36/1389692736.db2.gz MPCZUDPXSNSBJB-GOSISDBHSA-N 2 2 329.488 3.413 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373672 1392716212 /nfs/dbraw/zinc/71/62/12/1392716212.db2.gz RJRPLFMJXYKJDG-RBUKOAKNSA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373672 1392716215 /nfs/dbraw/zinc/71/62/15/1392716215.db2.gz RJRPLFMJXYKJDG-RBUKOAKNSA-N 2 2 344.503 3.085 10 30 EGEELP C=CC[NH2+]C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@@H]1C ZINC001481959441 1394620217 /nfs/dbraw/zinc/62/02/17/1394620217.db2.gz XPAFGIYLJVPECV-IFXJQAMLSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001496342430 1396656713 /nfs/dbraw/zinc/65/67/13/1396656713.db2.gz OOIIBZMSSASQQT-YJBOKZPZSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499539 1404612371 /nfs/dbraw/zinc/61/23/71/1404612371.db2.gz WQFVNODAQPEFJB-CVEARBPZSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499539 1404612374 /nfs/dbraw/zinc/61/23/74/1404612374.db2.gz WQFVNODAQPEFJB-CVEARBPZSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499540 1404612789 /nfs/dbraw/zinc/61/27/89/1404612789.db2.gz WQFVNODAQPEFJB-HOTGVXAUSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499540 1404612799 /nfs/dbraw/zinc/61/27/99/1404612799.db2.gz WQFVNODAQPEFJB-HOTGVXAUSA-N 2 2 340.471 3.359 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001692132478 1405790106 /nfs/dbraw/zinc/79/01/06/1405790106.db2.gz YECCRPPIMMVQMB-SFHVURJKSA-N 2 2 348.535 3.294 10 30 EGEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001707240011 1417260318 /nfs/dbraw/zinc/26/03/18/1417260318.db2.gz YUMIATSXOXGHLJ-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001713688236 1418440821 /nfs/dbraw/zinc/44/08/21/1418440821.db2.gz KDPGGTAKODINEQ-UHFFFAOYSA-N 2 2 328.460 3.049 10 30 EGEELP C=CCC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001713688236 1418440826 /nfs/dbraw/zinc/44/08/26/1418440826.db2.gz KDPGGTAKODINEQ-UHFFFAOYSA-N 2 2 328.460 3.049 10 30 EGEELP C=CCC[N@@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001713763874 1418575305 /nfs/dbraw/zinc/57/53/05/1418575305.db2.gz HLVUOVFEMQUSNB-UHFFFAOYSA-N 2 2 340.471 3.003 10 30 EGEELP C=CCC[N@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001713763874 1418575310 /nfs/dbraw/zinc/57/53/10/1418575310.db2.gz HLVUOVFEMQUSNB-UHFFFAOYSA-N 2 2 340.471 3.003 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001713780976 1418596747 /nfs/dbraw/zinc/59/67/47/1418596747.db2.gz LNBDUFVTFHTIHB-INIZCTEOSA-N 2 2 340.471 3.225 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977382 1418757998 /nfs/dbraw/zinc/75/79/98/1418757998.db2.gz XFKVTLCABAEBSA-QZTJIDSGSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977382 1418758000 /nfs/dbraw/zinc/75/80/00/1418758000.db2.gz XFKVTLCABAEBSA-QZTJIDSGSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714401745 1419144427 /nfs/dbraw/zinc/14/44/27/1419144427.db2.gz QOSJTSXANKNUBN-MSOLQXFVSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714403694 1419146035 /nfs/dbraw/zinc/14/60/35/1419146035.db2.gz OSJZDCFMRHQYJJ-HOTGVXAUSA-N 2 2 326.444 3.160 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844824 1420971667 /nfs/dbraw/zinc/97/16/67/1420971667.db2.gz WTEQFRXPHCVQJR-IEBWSBKVSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844824 1420971668 /nfs/dbraw/zinc/97/16/68/1420971668.db2.gz WTEQFRXPHCVQJR-IEBWSBKVSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324036 1424812009 /nfs/dbraw/zinc/81/20/09/1424812009.db2.gz OGMNWYJQGOBBEM-ICSRJNTNSA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324036 1424812014 /nfs/dbraw/zinc/81/20/14/1424812014.db2.gz OGMNWYJQGOBBEM-ICSRJNTNSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001733606009 1429818981 /nfs/dbraw/zinc/81/89/81/1429818981.db2.gz OSYVXAKQVDMJAB-HNAYVOBHSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001733606009 1429818984 /nfs/dbraw/zinc/81/89/84/1429818984.db2.gz OSYVXAKQVDMJAB-HNAYVOBHSA-N 2 2 338.455 3.066 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767015 1429991132 /nfs/dbraw/zinc/99/11/32/1429991132.db2.gz NWKYKPORGCOGQI-QZTJIDSGSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767015 1429991138 /nfs/dbraw/zinc/99/11/38/1429991138.db2.gz NWKYKPORGCOGQI-QZTJIDSGSA-N 2 2 349.906 3.013 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148824 1437916596 /nfs/dbraw/zinc/91/65/96/1437916596.db2.gz VUCNNGMVMZHRAS-KSSFIOAISA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148824 1437916597 /nfs/dbraw/zinc/91/65/97/1437916597.db2.gz VUCNNGMVMZHRAS-KSSFIOAISA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734332632 1438055598 /nfs/dbraw/zinc/05/55/98/1438055598.db2.gz ATEDGRXGXGFUBL-SJORKVTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750946998 1440119643 /nfs/dbraw/zinc/11/96/43/1440119643.db2.gz PCDGBQLNVDASFF-MSOLQXFVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750946998 1440119644 /nfs/dbraw/zinc/11/96/44/1440119644.db2.gz PCDGBQLNVDASFF-MSOLQXFVSA-N 2 2 346.519 3.263 10 30 EGEELP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000551069833 315141355 /nfs/dbraw/zinc/14/13/55/315141355.db2.gz ORMGYOSLJBZEBT-SFTDATJTSA-N 2 2 335.451 3.362 10 30 EGEELP C[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000551069833 315141357 /nfs/dbraw/zinc/14/13/57/315141357.db2.gz ORMGYOSLJBZEBT-SFTDATJTSA-N 2 2 335.451 3.362 10 30 EGEELP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600716582 460576619 /nfs/dbraw/zinc/57/66/19/460576619.db2.gz YYKKEIUNWGZWSQ-IRXDYDNUSA-N 2 2 347.528 3.165 10 30 EGEELP C[NH+]=C(NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccco1 ZINC000071843638 454230057 /nfs/dbraw/zinc/23/00/57/454230057.db2.gz MSTMCMKANNHNLI-QGZVFWFLSA-N 2 2 327.428 3.091 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000352842353 456355592 /nfs/dbraw/zinc/35/55/92/456355592.db2.gz WEYAEPFFZMNJNZ-ZDUSSCGKSA-N 2 2 332.498 3.078 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000352842353 456355598 /nfs/dbraw/zinc/35/55/98/456355598.db2.gz WEYAEPFFZMNJNZ-ZDUSSCGKSA-N 2 2 332.498 3.078 10 30 EGEELP C(#CC[N@H+](Cc1ccccn1)C1CC1)C[NH+](Cc1ccccn1)C1CC1 ZINC000341909733 456996162 /nfs/dbraw/zinc/99/61/62/456996162.db2.gz JDQWYDVLCCRQKM-UHFFFAOYSA-N 2 2 346.478 3.109 10 30 EGEELP C(#CC[N@@H+](Cc1ccccn1)C1CC1)C[NH+](Cc1ccccn1)C1CC1 ZINC000341909733 456996168 /nfs/dbraw/zinc/99/61/68/456996168.db2.gz JDQWYDVLCCRQKM-UHFFFAOYSA-N 2 2 346.478 3.109 10 30 EGEELP C=CCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000357216738 457378355 /nfs/dbraw/zinc/37/83/55/457378355.db2.gz SRUCAKHFTJKFQK-GOSISDBHSA-N 2 2 325.456 3.440 10 30 EGEELP C=CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000357216738 457378357 /nfs/dbraw/zinc/37/83/57/457378357.db2.gz SRUCAKHFTJKFQK-GOSISDBHSA-N 2 2 325.456 3.440 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000356124733 457467215 /nfs/dbraw/zinc/46/72/15/457467215.db2.gz PZFQNKQQHAHOOF-WFASDCNBSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000356124733 457467217 /nfs/dbraw/zinc/46/72/17/457467217.db2.gz PZFQNKQQHAHOOF-WFASDCNBSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124733 457467221 /nfs/dbraw/zinc/46/72/21/457467221.db2.gz PZFQNKQQHAHOOF-WFASDCNBSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124733 457467224 /nfs/dbraw/zinc/46/72/24/457467224.db2.gz PZFQNKQQHAHOOF-WFASDCNBSA-N 2 2 325.378 3.492 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000358569923 458084455 /nfs/dbraw/zinc/08/44/55/458084455.db2.gz MRLAJDGLEIMGNS-GUXCAODWSA-N 2 2 347.478 3.485 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000358569923 458084461 /nfs/dbraw/zinc/08/44/61/458084461.db2.gz MRLAJDGLEIMGNS-GUXCAODWSA-N 2 2 347.478 3.485 10 30 EGEELP C=CC[NH+]1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413126074 458294287 /nfs/dbraw/zinc/29/42/87/458294287.db2.gz JMGGCYUCMRHNRN-UHFFFAOYSA-N 2 2 346.272 3.482 10 30 EGEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903193 458509781 /nfs/dbraw/zinc/50/97/81/458509781.db2.gz JILRLGNRDBZEKZ-BBRMVZONSA-N 2 2 337.414 3.322 10 30 EGEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903193 458509784 /nfs/dbraw/zinc/50/97/84/458509784.db2.gz JILRLGNRDBZEKZ-BBRMVZONSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903193 458509791 /nfs/dbraw/zinc/50/97/91/458509791.db2.gz JILRLGNRDBZEKZ-BBRMVZONSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1 ZINC000437903193 458509794 /nfs/dbraw/zinc/50/97/94/458509794.db2.gz JILRLGNRDBZEKZ-BBRMVZONSA-N 2 2 337.414 3.322 10 30 EGEELP CC1(C#N)CCC([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000590778328 459214319 /nfs/dbraw/zinc/21/43/19/459214319.db2.gz ZTQRCLYBPHIHQH-CBNMVNINSA-N 2 2 341.499 3.076 10 30 EGEELP CC1(C#N)CCC([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000590778328 459214325 /nfs/dbraw/zinc/21/43/25/459214325.db2.gz ZTQRCLYBPHIHQH-CBNMVNINSA-N 2 2 341.499 3.076 10 30 EGEELP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C(F)(F)F)c1 ZINC000589495086 460095908 /nfs/dbraw/zinc/09/59/08/460095908.db2.gz XWNOBWGVSRZFGA-UHFFFAOYSA-N 2 2 346.356 3.294 10 30 EGEELP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000619512054 460372237 /nfs/dbraw/zinc/37/22/37/460372237.db2.gz GZNCGIVFPGYFNT-UHFFFAOYSA-N 2 2 331.423 3.449 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000877009469 1299113091 /nfs/dbraw/zinc/11/30/91/1299113091.db2.gz NJVOHWIQEZOSQZ-SZMVWBNQSA-N 2 2 349.519 3.014 10 30 EGEELP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCO1 ZINC000922816719 1322626390 /nfs/dbraw/zinc/62/63/90/1322626390.db2.gz QWAJPTGBFDROFG-FQEVSTJZSA-N 2 2 327.472 3.071 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925413163 1325145111 /nfs/dbraw/zinc/14/51/11/1325145111.db2.gz FHWQJPBHADEOMJ-MISYRCLQSA-N 2 2 327.472 3.474 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925413163 1325145115 /nfs/dbraw/zinc/14/51/15/1325145115.db2.gz FHWQJPBHADEOMJ-MISYRCLQSA-N 2 2 327.472 3.474 10 30 EGEELP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790135 1325302011 /nfs/dbraw/zinc/30/20/11/1325302011.db2.gz DPWHSUAQYGLDNO-UYAOXDASSA-N 2 2 339.483 3.074 10 30 EGEELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCOCC1 ZINC000926961839 1327798613 /nfs/dbraw/zinc/79/86/13/1327798613.db2.gz YNBVENCBKWQELL-PMACEKPBSA-N 2 2 341.499 3.340 10 30 EGEELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCOCC1 ZINC000926961839 1327798617 /nfs/dbraw/zinc/79/86/17/1327798617.db2.gz YNBVENCBKWQELL-PMACEKPBSA-N 2 2 341.499 3.340 10 30 EGEELP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866239073 1330083453 /nfs/dbraw/zinc/08/34/53/1330083453.db2.gz UFYVGAJKPMAODF-HNNXBMFYSA-N 2 2 339.439 3.055 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323859461 1387479120 /nfs/dbraw/zinc/47/91/20/1387479120.db2.gz WPKLDXPPRKBGKD-HXUWFJFHSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001323859461 1387479126 /nfs/dbraw/zinc/47/91/26/1387479126.db2.gz WPKLDXPPRKBGKD-HXUWFJFHSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323859461 1387479130 /nfs/dbraw/zinc/47/91/30/1387479130.db2.gz WPKLDXPPRKBGKD-HXUWFJFHSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001323859461 1387479135 /nfs/dbraw/zinc/47/91/35/1387479135.db2.gz WPKLDXPPRKBGKD-HXUWFJFHSA-N 2 2 346.519 3.237 10 30 EGEELP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001266374247 1377299026 /nfs/dbraw/zinc/29/90/26/1377299026.db2.gz VDJJWVCQKZKTTL-ROUUACIJSA-N 2 2 344.503 3.017 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811796 1378622549 /nfs/dbraw/zinc/62/25/49/1378622549.db2.gz QMUAYOHJXGTURT-IAGOWNOFSA-N 2 2 346.519 3.108 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811796 1378622553 /nfs/dbraw/zinc/62/25/53/1378622553.db2.gz QMUAYOHJXGTURT-IAGOWNOFSA-N 2 2 346.519 3.108 10 30 EGEELP C=CCC[NH+]1CCC(N(CCC)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317007609 1384770256 /nfs/dbraw/zinc/77/02/56/1384770256.db2.gz ZQCNNQJPRVUXQT-QGZVFWFLSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317687244 1385398521 /nfs/dbraw/zinc/39/85/21/1385398521.db2.gz RINSLFHFRMSCJP-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001319809453 1386307936 /nfs/dbraw/zinc/30/79/36/1386307936.db2.gz NNDXBYTZTVGXJT-HZPDHXFCSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001319816697 1386312858 /nfs/dbraw/zinc/31/28/58/1386312858.db2.gz KGLQCWOGKZQCFM-FUHWJXTLSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319849892 1386333621 /nfs/dbraw/zinc/33/36/21/1386333621.db2.gz QURFYFPTBNKNRQ-HNAYVOBHSA-N 2 2 340.471 3.359 10 30 EGEELP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C#N)CCCCC3)cc2F)CC1 ZINC001350141894 1391420087 /nfs/dbraw/zinc/42/00/87/1391420087.db2.gz FVSCYUJAPFOGHK-UHFFFAOYSA-N 2 2 344.478 3.141 10 30 EGEELP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480097434 1392583225 /nfs/dbraw/zinc/58/32/25/1392583225.db2.gz FMIFTQIRRZMLII-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001480097434 1392583226 /nfs/dbraw/zinc/58/32/26/1392583226.db2.gz FMIFTQIRRZMLII-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001484562847 1395448601 /nfs/dbraw/zinc/44/86/01/1395448601.db2.gz HLOWSTCMMUCBEI-DLBZAZTESA-N 2 2 340.471 3.377 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001503763492 1396268244 /nfs/dbraw/zinc/26/82/44/1396268244.db2.gz CKEGEEKLVCWEHK-QGZVFWFLSA-N 2 2 344.503 3.012 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699008771 1406834872 /nfs/dbraw/zinc/83/48/72/1406834872.db2.gz KLYJLVXRZNUWBT-IEBWSBKVSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699008771 1406834877 /nfs/dbraw/zinc/83/48/77/1406834877.db2.gz KLYJLVXRZNUWBT-IEBWSBKVSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699008771 1406834882 /nfs/dbraw/zinc/83/48/82/1406834882.db2.gz KLYJLVXRZNUWBT-IEBWSBKVSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699008771 1406834886 /nfs/dbraw/zinc/83/48/86/1406834886.db2.gz KLYJLVXRZNUWBT-IEBWSBKVSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001699010241 1406837060 /nfs/dbraw/zinc/83/70/60/1406837060.db2.gz UVFLPEQVEIXNCW-KXBFYZLASA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001699010241 1406837063 /nfs/dbraw/zinc/83/70/63/1406837063.db2.gz UVFLPEQVEIXNCW-KXBFYZLASA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001699010239 1406837545 /nfs/dbraw/zinc/83/75/45/1406837545.db2.gz UVFLPEQVEIXNCW-DNVCBOLYSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001699010239 1406837551 /nfs/dbraw/zinc/83/75/51/1406837551.db2.gz UVFLPEQVEIXNCW-DNVCBOLYSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691898488 1405620657 /nfs/dbraw/zinc/62/06/57/1405620657.db2.gz QJTLRRLUEIIKHP-SFHVURJKSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691898488 1405620661 /nfs/dbraw/zinc/62/06/61/1405620661.db2.gz QJTLRRLUEIIKHP-SFHVURJKSA-N 2 2 329.488 3.415 10 30 EGEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001692254730 1405881448 /nfs/dbraw/zinc/88/14/48/1405881448.db2.gz PIBXYZVYEHXXRP-KRWDZBQOSA-N 2 2 340.471 3.227 10 30 EGEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001692254730 1405881458 /nfs/dbraw/zinc/88/14/58/1405881458.db2.gz PIBXYZVYEHXXRP-KRWDZBQOSA-N 2 2 340.471 3.227 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001732496655 1428618611 /nfs/dbraw/zinc/61/86/11/1428618611.db2.gz USQJXMYRMRTVFQ-IRXDYDNUSA-N 2 2 348.535 3.484 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001732524743 1428643971 /nfs/dbraw/zinc/64/39/71/1428643971.db2.gz CVVMYGQEVWLVCH-IRXDYDNUSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699681736 1413076168 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YYCQHURJLCUKTB-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707281941 1417292320 /nfs/dbraw/zinc/29/23/20/1417292320.db2.gz SFIQWTDHCJZPTC-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707281941 1417292322 /nfs/dbraw/zinc/29/23/22/1417292322.db2.gz SFIQWTDHCJZPTC-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713435193 1418065850 /nfs/dbraw/zinc/06/58/50/1418065850.db2.gz NPAXCWZBEDQTRB-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713435193 1418065855 /nfs/dbraw/zinc/06/58/55/1418065855.db2.gz NPAXCWZBEDQTRB-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714069699 1418865900 /nfs/dbraw/zinc/86/59/00/1418865900.db2.gz GLOATGQMWBZTGI-AEFFLSMTSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715393857 1420091479 /nfs/dbraw/zinc/09/14/79/1420091479.db2.gz XXLINPUDQUNEGA-QAPCUYQASA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724324097 1424811161 /nfs/dbraw/zinc/81/11/61/1424811161.db2.gz OUKXDEAFCRZZBT-HXUWFJFHSA-N 2 2 346.519 3.111 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724324097 1424811166 /nfs/dbraw/zinc/81/11/66/1424811166.db2.gz OUKXDEAFCRZZBT-HXUWFJFHSA-N 2 2 346.519 3.111 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001725660143 1426342996 /nfs/dbraw/zinc/34/29/96/1426342996.db2.gz DRRJNUSOXVXCAB-NUJGCVRESA-N 2 2 344.503 3.086 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001725660143 1426343004 /nfs/dbraw/zinc/34/30/04/1426343004.db2.gz DRRJNUSOXVXCAB-NUJGCVRESA-N 2 2 344.503 3.086 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731517648 1427505372 /nfs/dbraw/zinc/50/53/72/1427505372.db2.gz ORBXYPPJIOYJEB-HZPDHXFCSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001731569190 1427609057 /nfs/dbraw/zinc/60/90/57/1427609057.db2.gz SVQMHUXPIFRDDN-FAEJEUNOSA-N 2 2 345.487 3.004 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001734013766 1437804733 /nfs/dbraw/zinc/80/47/33/1437804733.db2.gz RZONJWCZGIUXPM-KLAILNCOSA-N 2 2 346.519 3.401 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148823 1437916679 /nfs/dbraw/zinc/91/66/79/1437916679.db2.gz VUCNNGMVMZHRAS-KDOFPFPSSA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148823 1437916682 /nfs/dbraw/zinc/91/66/82/1437916682.db2.gz VUCNNGMVMZHRAS-KDOFPFPSSA-N 2 2 340.471 3.358 10 30 EGEELP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305766697 154117057 /nfs/dbraw/zinc/11/70/57/154117057.db2.gz FNFNKMSUUFEGEF-NRFANRHFSA-N 2 2 343.515 3.299 10 30 EGEELP Cn1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000361064793 167507080 /nfs/dbraw/zinc/50/70/80/167507080.db2.gz CBDXXFVQBQQDIS-UHFFFAOYSA-N 2 2 346.438 3.061 10 30 EGEELP Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)c(C#N)c(C)[nH+]1 ZINC000301751483 267347368 /nfs/dbraw/zinc/34/73/68/267347368.db2.gz BAEHGSSOMXFVRY-UHFFFAOYSA-N 2 2 328.460 3.017 10 30 EGEELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644868 454727423 /nfs/dbraw/zinc/72/74/23/454727423.db2.gz MPGWTBNVPHOSAX-FUHWJXTLSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644868 454727428 /nfs/dbraw/zinc/72/74/28/454727428.db2.gz MPGWTBNVPHOSAX-FUHWJXTLSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644868 454727433 /nfs/dbraw/zinc/72/74/33/454727433.db2.gz MPGWTBNVPHOSAX-FUHWJXTLSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093644868 454727438 /nfs/dbraw/zinc/72/74/38/454727438.db2.gz MPGWTBNVPHOSAX-FUHWJXTLSA-N 2 2 345.487 3.292 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135412 455700735 /nfs/dbraw/zinc/70/07/35/455700735.db2.gz BPMMTORJQYMWAV-YSIASYRMSA-N 2 2 349.563 3.384 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135412 455700740 /nfs/dbraw/zinc/70/07/40/455700740.db2.gz BPMMTORJQYMWAV-YSIASYRMSA-N 2 2 349.563 3.384 10 30 EGEELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139486 457480552 /nfs/dbraw/zinc/48/05/52/457480552.db2.gz SMYFFJSMYUICHS-AWEZNQCLSA-N 2 2 325.378 3.351 10 30 EGEELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139486 457480560 /nfs/dbraw/zinc/48/05/60/457480560.db2.gz SMYFFJSMYUICHS-AWEZNQCLSA-N 2 2 325.378 3.351 10 30 EGEELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139486 457480569 /nfs/dbraw/zinc/48/05/69/457480569.db2.gz SMYFFJSMYUICHS-AWEZNQCLSA-N 2 2 325.378 3.351 10 30 EGEELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139486 457480577 /nfs/dbraw/zinc/48/05/77/457480577.db2.gz SMYFFJSMYUICHS-AWEZNQCLSA-N 2 2 325.378 3.351 10 30 EGEELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505239 459327618 /nfs/dbraw/zinc/32/76/18/459327618.db2.gz RETPCSTZRMLLMS-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505239 459327620 /nfs/dbraw/zinc/32/76/20/459327620.db2.gz RETPCSTZRMLLMS-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505239 459327624 /nfs/dbraw/zinc/32/76/24/459327624.db2.gz RETPCSTZRMLLMS-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000595505239 459327628 /nfs/dbraw/zinc/32/76/28/459327628.db2.gz RETPCSTZRMLLMS-KRWDZBQOSA-N 2 2 337.389 3.495 10 30 EGEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000596648369 459713231 /nfs/dbraw/zinc/71/32/31/459713231.db2.gz AFFCSJOUPXEWIN-NNWRFLSQSA-N 2 2 347.462 3.289 10 30 EGEELP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601970152 460965657 /nfs/dbraw/zinc/96/56/57/460965657.db2.gz YOUJKPYMYLRKTC-WOJBJXKFSA-N 2 2 341.499 3.076 10 30 EGEELP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601970152 460965666 /nfs/dbraw/zinc/96/56/66/460965666.db2.gz YOUJKPYMYLRKTC-WOJBJXKFSA-N 2 2 341.499 3.076 10 30 EGEELP C=CC[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC[NH2+]1 ZINC000662802112 461374504 /nfs/dbraw/zinc/37/45/04/461374504.db2.gz YJSYPUKZFLIMSP-OAQYLSRUSA-N 2 2 348.450 3.239 10 30 EGEELP Cc1ccc(N[NH+]=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nc1 ZINC000727260142 574656565 /nfs/dbraw/zinc/65/65/65/574656565.db2.gz RMXPEOZCAALUSE-UHFFFAOYSA-N 2 2 343.862 3.241 10 30 EGEELP CC(=[NH+]Nc1cc[nH+]cc1C)c1ccc(N2CCOCC2)cc1Cl ZINC000863157688 1329530956 /nfs/dbraw/zinc/53/09/56/1329530956.db2.gz QMJJYTARMDCVFW-UHFFFAOYSA-N 2 2 344.846 3.138 10 30 EGEELP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282663193 1378532156 /nfs/dbraw/zinc/53/21/56/1378532156.db2.gz AELIYGCODASWSA-SFHVURJKSA-N 2 2 346.519 3.254 10 30 EGEELP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282663193 1378532157 /nfs/dbraw/zinc/53/21/57/1378532157.db2.gz AELIYGCODASWSA-SFHVURJKSA-N 2 2 346.519 3.254 10 30 EGEELP C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001144203858 1378697976 /nfs/dbraw/zinc/69/79/76/1378697976.db2.gz FGRJQMSTKUOJIY-GOSISDBHSA-N 2 2 329.488 3.435 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001327883830 1388615099 /nfs/dbraw/zinc/61/50/99/1388615099.db2.gz JOMPTQAYKMUAMF-IRXDYDNUSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048948 1395213167 /nfs/dbraw/zinc/21/31/67/1395213167.db2.gz IRDICXDELZAGLA-AUUYWEPGSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048948 1395213173 /nfs/dbraw/zinc/21/31/73/1395213173.db2.gz IRDICXDELZAGLA-AUUYWEPGSA-N 2 2 326.444 3.112 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699008773 1406834191 /nfs/dbraw/zinc/83/41/91/1406834191.db2.gz KLYJLVXRZNUWBT-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699008773 1406834199 /nfs/dbraw/zinc/83/41/99/1406834199.db2.gz KLYJLVXRZNUWBT-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699008773 1406834203 /nfs/dbraw/zinc/83/42/03/1406834203.db2.gz KLYJLVXRZNUWBT-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699008773 1406834210 /nfs/dbraw/zinc/83/42/10/1406834210.db2.gz KLYJLVXRZNUWBT-PKOBYXMFSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498478794 1397025694 /nfs/dbraw/zinc/02/56/94/1397025694.db2.gz BWSAXIFJBQGPDE-MSOLQXFVSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498489055 1397034149 /nfs/dbraw/zinc/03/41/49/1397034149.db2.gz VKALCWRGKIUZAT-ROUUACIJSA-N 2 2 346.519 3.157 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691601495 1405351886 /nfs/dbraw/zinc/35/18/86/1405351886.db2.gz FPTKGUBLUUAAFB-GOEBONIOSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691852106 1405568365 /nfs/dbraw/zinc/56/83/65/1405568365.db2.gz AJRZZKKVRIFSEM-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691852106 1405568366 /nfs/dbraw/zinc/56/83/66/1405568366.db2.gz AJRZZKKVRIFSEM-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001692004367 1405721725 /nfs/dbraw/zinc/72/17/25/1405721725.db2.gz JDXKDMFIDACLCQ-IAGOWNOFSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001732259469 1428499615 /nfs/dbraw/zinc/49/96/15/1428499615.db2.gz RHBBHMOMMNTLCN-UZLBHIALSA-N 2 2 340.471 3.179 10 30 EGEELP C=C(C)CC[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001732324522 1428533427 /nfs/dbraw/zinc/53/34/27/1428533427.db2.gz KXIDBWCOEIWHCN-KRWDZBQOSA-N 2 2 332.492 3.019 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196503 1413637775 /nfs/dbraw/zinc/63/77/75/1413637775.db2.gz GFBBIESDKSMZIN-ROUUACIJSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196503 1413637776 /nfs/dbraw/zinc/63/77/76/1413637776.db2.gz GFBBIESDKSMZIN-ROUUACIJSA-N 2 2 344.503 3.012 10 30 EGEELP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001700526516 1414188743 /nfs/dbraw/zinc/18/87/43/1414188743.db2.gz ZMRLDRCPWODRHC-QZTJIDSGSA-N 2 2 332.492 3.017 10 30 EGEELP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001700526516 1414188746 /nfs/dbraw/zinc/18/87/46/1414188746.db2.gz ZMRLDRCPWODRHC-QZTJIDSGSA-N 2 2 332.492 3.017 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001700891281 1414550514 /nfs/dbraw/zinc/55/05/14/1414550514.db2.gz ZSCGYPXPJBLVEU-SJORKVTESA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001700891281 1414550516 /nfs/dbraw/zinc/55/05/16/1414550516.db2.gz ZSCGYPXPJBLVEU-SJORKVTESA-N 2 2 334.508 3.200 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707281942 1417292120 /nfs/dbraw/zinc/29/21/20/1417292120.db2.gz SFIQWTDHCJZPTC-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001707281942 1417292121 /nfs/dbraw/zinc/29/21/21/1417292121.db2.gz SFIQWTDHCJZPTC-QGZVFWFLSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714403695 1419145952 /nfs/dbraw/zinc/14/59/52/1419145952.db2.gz OSJZDCFMRHQYJJ-HZPDHXFCSA-N 2 2 326.444 3.160 10 30 EGEELP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715194842 1419926789 /nfs/dbraw/zinc/92/67/89/1419926789.db2.gz LDZKLJSIESFVHS-OAHLLOKOSA-N 2 2 346.862 3.061 10 30 EGEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c(C)cc(C)[nH+]c1C ZINC001716708171 1420862062 /nfs/dbraw/zinc/86/20/62/1420862062.db2.gz SOKWNHQLBINQHU-YQQQUEKLSA-N 2 2 339.483 3.145 10 30 EGEELP C=CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001716812355 1420937755 /nfs/dbraw/zinc/93/77/55/1420937755.db2.gz HBXGDOMCWLVNHJ-HXUWFJFHSA-N 2 2 348.450 3.129 10 30 EGEELP C=CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC001716812355 1420937757 /nfs/dbraw/zinc/93/77/57/1420937757.db2.gz HBXGDOMCWLVNHJ-HXUWFJFHSA-N 2 2 348.450 3.129 10 30 EGEELP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717002244 1421072225 /nfs/dbraw/zinc/07/22/25/1421072225.db2.gz NZKMRYHGBIJWNK-QAQDUYKDSA-N 2 2 340.471 3.036 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001722944826 1424271440 /nfs/dbraw/zinc/27/14/40/1424271440.db2.gz WYTQGGLIZHDQLU-ROUUACIJSA-N 2 2 346.519 3.157 10 30 EGEELP N#Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC3)OCc3ccccc34)n2c1 ZINC000371326781 283200859 /nfs/dbraw/zinc/20/08/59/283200859.db2.gz KGTYZWKREJVQCG-UHFFFAOYSA-N 2 2 344.418 3.227 10 30 EGEELP C[NH+](C)[C@H]1CCOc2c(NCc3c[nH+]c4ccc(C#N)cn34)cccc21 ZINC000519517766 267290503 /nfs/dbraw/zinc/29/05/03/267290503.db2.gz KDAKTJWJSDYYDI-SFHVURJKSA-N 2 2 347.422 3.203 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000190465403 455324330 /nfs/dbraw/zinc/32/43/30/455324330.db2.gz XSXAJIYKLOAMBB-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000190465403 455324333 /nfs/dbraw/zinc/32/43/33/455324333.db2.gz XSXAJIYKLOAMBB-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000190465403 455324337 /nfs/dbraw/zinc/32/43/37/455324337.db2.gz XSXAJIYKLOAMBB-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000190465403 455324341 /nfs/dbraw/zinc/32/43/41/455324341.db2.gz XSXAJIYKLOAMBB-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000190478286 455327844 /nfs/dbraw/zinc/32/78/44/455327844.db2.gz HCPKCFBLRPLZCN-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000190478286 455327850 /nfs/dbraw/zinc/32/78/50/455327850.db2.gz HCPKCFBLRPLZCN-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000190478286 455327854 /nfs/dbraw/zinc/32/78/54/455327854.db2.gz HCPKCFBLRPLZCN-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000190478286 455327858 /nfs/dbraw/zinc/32/78/58/455327858.db2.gz HCPKCFBLRPLZCN-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@@H+]1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000289357895 456123801 /nfs/dbraw/zinc/12/38/01/456123801.db2.gz IIOZCJBRDZEFDP-MOPGFXCFSA-N 2 2 327.472 3.122 10 30 EGEELP C[N@H+]1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000289357895 456123805 /nfs/dbraw/zinc/12/38/05/456123805.db2.gz IIOZCJBRDZEFDP-MOPGFXCFSA-N 2 2 327.472 3.122 10 30 EGEELP N#Cc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373496521 458510708 /nfs/dbraw/zinc/51/07/08/458510708.db2.gz POYORGOBTRXVEW-UHFFFAOYSA-N 2 2 337.389 3.453 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594617543 459116622 /nfs/dbraw/zinc/11/66/22/459116622.db2.gz VWGFQURBIKIYTH-HXUWFJFHSA-N 2 2 341.499 3.174 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594617543 459116630 /nfs/dbraw/zinc/11/66/30/459116630.db2.gz VWGFQURBIKIYTH-HXUWFJFHSA-N 2 2 341.499 3.174 10 30 EGEELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000567645943 459138281 /nfs/dbraw/zinc/13/82/81/459138281.db2.gz KSXBRQFBRFDIOH-UZLBHIALSA-N 2 2 335.451 3.082 10 30 EGEELP N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000591573584 459404057 /nfs/dbraw/zinc/40/40/57/459404057.db2.gz ZGFZJAIFXSFWHP-FGZHOGPDSA-N 2 2 347.462 3.082 10 30 EGEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000171522114 536173531 /nfs/dbraw/zinc/17/35/31/536173531.db2.gz IAMUUTRNXRTNLS-GOSISDBHSA-N 2 2 338.455 3.423 10 30 EGEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000171522114 536173538 /nfs/dbraw/zinc/17/35/38/536173538.db2.gz IAMUUTRNXRTNLS-GOSISDBHSA-N 2 2 338.455 3.423 10 30 EGEELP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000169791423 1294372522 /nfs/dbraw/zinc/37/25/22/1294372522.db2.gz AJUCNOQZSIEGKI-IBGZPJMESA-N 2 2 338.455 3.089 10 30 EGEELP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000169791423 1294372524 /nfs/dbraw/zinc/37/25/24/1294372524.db2.gz AJUCNOQZSIEGKI-IBGZPJMESA-N 2 2 338.455 3.089 10 30 EGEELP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC000705661879 1298214976 /nfs/dbraw/zinc/21/49/76/1298214976.db2.gz GYKQWFHSTDICFS-NHCUHLMSSA-N 2 2 347.462 3.131 10 30 EGEELP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000926447898 1325557796 /nfs/dbraw/zinc/55/77/96/1325557796.db2.gz IFZBVJJBNGKCNA-INIZCTEOSA-N 2 2 333.501 3.132 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001326479742 1388209222 /nfs/dbraw/zinc/20/92/22/1388209222.db2.gz JKSSFWZQPSMFBB-MRXNPFEDSA-N 2 2 348.450 3.491 10 30 EGEELP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001282677288 1378547804 /nfs/dbraw/zinc/54/78/04/1378547804.db2.gz ZQOUPPGHHXBJFJ-DLBZAZTESA-N 2 2 343.943 3.220 10 30 EGEELP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001282677288 1378547807 /nfs/dbraw/zinc/54/78/07/1378547807.db2.gz ZQOUPPGHHXBJFJ-DLBZAZTESA-N 2 2 343.943 3.220 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001284292299 1379680236 /nfs/dbraw/zinc/68/02/36/1379680236.db2.gz FLKOTQGAIYOLOZ-QZTJIDSGSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317012782 1384776785 /nfs/dbraw/zinc/77/67/85/1384776785.db2.gz LBGPHVRZCGHEJA-KBXCAEBGSA-N 2 2 340.471 3.095 10 30 EGEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001317687241 1385398413 /nfs/dbraw/zinc/39/84/13/1385398413.db2.gz RINSLFHFRMSCJP-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001319809454 1386307689 /nfs/dbraw/zinc/30/76/89/1386307689.db2.gz NNDXBYTZTVGXJT-JKSUJKDBSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373670 1392716122 /nfs/dbraw/zinc/71/61/22/1392716122.db2.gz RJRPLFMJXYKJDG-MOPGFXCFSA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373670 1392716124 /nfs/dbraw/zinc/71/61/24/1392716124.db2.gz RJRPLFMJXYKJDG-MOPGFXCFSA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491252753 1394492331 /nfs/dbraw/zinc/49/23/31/1394492331.db2.gz RCLMZYLLPYAOTA-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC001732393807 1428562105 /nfs/dbraw/zinc/56/21/05/1428562105.db2.gz GXPKHAJHYOGDSQ-UHFFFAOYSA-N 2 2 338.455 3.081 10 30 EGEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001699979580 1413424824 /nfs/dbraw/zinc/42/48/24/1413424824.db2.gz QSNDJBYILDGZLZ-WGSAOQKQSA-N 2 2 341.499 3.156 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700842208 1414491984 /nfs/dbraw/zinc/49/19/84/1414491984.db2.gz NRZLCQGJXFXKSO-SJORKVTESA-N 2 2 342.487 3.497 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001707281787 1417292494 /nfs/dbraw/zinc/29/24/94/1417292494.db2.gz REIWGRPCZLECJB-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001707281787 1417292497 /nfs/dbraw/zinc/29/24/97/1417292497.db2.gz REIWGRPCZLECJB-KRWDZBQOSA-N 2 2 346.519 3.305 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712998345 1417549998 /nfs/dbraw/zinc/54/99/98/1417549998.db2.gz FZLLCXZRDRJWNW-DLBZAZTESA-N 2 2 340.471 3.273 10 30 EGEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713000274 1417553665 /nfs/dbraw/zinc/55/36/65/1417553665.db2.gz RRYXXHJZGVRHDG-KDOFPFPSSA-N 2 2 326.444 3.112 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713533151 1418282381 /nfs/dbraw/zinc/28/23/81/1418282381.db2.gz CSMANMXSWLZCKW-KRWDZBQOSA-N 2 2 342.487 3.356 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713533151 1418282386 /nfs/dbraw/zinc/28/23/86/1418282386.db2.gz CSMANMXSWLZCKW-KRWDZBQOSA-N 2 2 342.487 3.356 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001714915743 1419666485 /nfs/dbraw/zinc/66/64/85/1419666485.db2.gz YOODRNSUTJCMMY-ROUUACIJSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001714915743 1419666490 /nfs/dbraw/zinc/66/64/90/1419666490.db2.gz YOODRNSUTJCMMY-ROUUACIJSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715393981 1420091246 /nfs/dbraw/zinc/09/12/46/1420091246.db2.gz VJKVMVGIFPVHRI-KXBFYZLASA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001715482788 1420161718 /nfs/dbraw/zinc/16/17/18/1420161718.db2.gz VXHJKYMDTDPMMK-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001715482788 1420161720 /nfs/dbraw/zinc/16/17/20/1420161720.db2.gz VXHJKYMDTDPMMK-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001715482788 1420161721 /nfs/dbraw/zinc/16/17/21/1420161721.db2.gz VXHJKYMDTDPMMK-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001715482788 1420161723 /nfs/dbraw/zinc/16/17/23/1420161723.db2.gz VXHJKYMDTDPMMK-QZTJIDSGSA-N 2 2 344.503 3.040 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001733432034 1429639132 /nfs/dbraw/zinc/63/91/32/1429639132.db2.gz MQCDDOAWVKJYHE-OXQOHEQNSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CCCCCC1 ZINC001723640308 1424506923 /nfs/dbraw/zinc/50/69/23/1424506923.db2.gz MFMSLTZJBUHAOW-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=C(C)CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CCCCCC1 ZINC001723640308 1424506929 /nfs/dbraw/zinc/50/69/29/1424506929.db2.gz MFMSLTZJBUHAOW-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324034 1424810970 /nfs/dbraw/zinc/81/09/70/1424810970.db2.gz OGMNWYJQGOBBEM-AZUAARDMSA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324034 1424810976 /nfs/dbraw/zinc/81/09/76/1424810976.db2.gz OGMNWYJQGOBBEM-AZUAARDMSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550220 1427569104 /nfs/dbraw/zinc/56/91/04/1427569104.db2.gz FQFJRXPEDKRFCB-RBUKOAKNSA-N 2 2 344.503 3.085 10 30 EGEELP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550220 1427569115 /nfs/dbraw/zinc/56/91/15/1427569115.db2.gz FQFJRXPEDKRFCB-RBUKOAKNSA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001734438574 1438100676 /nfs/dbraw/zinc/10/06/76/1438100676.db2.gz MNZCZWXMBAKIRM-NLWGTHIKSA-N 2 2 344.503 3.160 10 30 EGEELP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001734438574 1438100677 /nfs/dbraw/zinc/10/06/77/1438100677.db2.gz MNZCZWXMBAKIRM-NLWGTHIKSA-N 2 2 344.503 3.160 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001734438576 1438101060 /nfs/dbraw/zinc/10/10/60/1438101060.db2.gz MNZCZWXMBAKIRM-QWFCFKBJSA-N 2 2 344.503 3.160 10 30 EGEELP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001734438576 1438101061 /nfs/dbraw/zinc/10/10/61/1438101061.db2.gz MNZCZWXMBAKIRM-QWFCFKBJSA-N 2 2 344.503 3.160 10 30 EGEELP Cc1cc(NCCC[NH+]2CCN(c3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301753824 267346523 /nfs/dbraw/zinc/34/65/23/267346523.db2.gz CDEASTAVFWMVBY-UHFFFAOYSA-N 2 2 349.482 3.194 10 30 EGEELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168229 277072253 /nfs/dbraw/zinc/07/22/53/277072253.db2.gz WHVSVMZWJXUFHM-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168229 277072254 /nfs/dbraw/zinc/07/22/54/277072254.db2.gz WHVSVMZWJXUFHM-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168229 277072255 /nfs/dbraw/zinc/07/22/55/277072255.db2.gz WHVSVMZWJXUFHM-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)C1 ZINC000354168229 277072257 /nfs/dbraw/zinc/07/22/57/277072257.db2.gz WHVSVMZWJXUFHM-QGZVFWFLSA-N 2 2 337.389 3.495 10 30 EGEELP N#CCCCOc1cccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000237824913 455223121 /nfs/dbraw/zinc/22/31/21/455223121.db2.gz VNWUOPJGBRSURW-UHFFFAOYSA-N 2 2 347.422 3.240 10 30 EGEELP CCCCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154589851 454910869 /nfs/dbraw/zinc/91/08/69/454910869.db2.gz DLWYXFWZXVWETG-DFNIBXOVSA-N 2 2 335.536 3.116 10 30 EGEELP CCCCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154589851 454910873 /nfs/dbraw/zinc/91/08/73/454910873.db2.gz DLWYXFWZXVWETG-DFNIBXOVSA-N 2 2 335.536 3.116 10 30 EGEELP C=CCOCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339038197 456910070 /nfs/dbraw/zinc/91/00/70/456910070.db2.gz VZZPAXDJTMUCRP-UHFFFAOYSA-N 2 2 346.519 3.402 10 30 EGEELP C=CCOCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339038197 456910073 /nfs/dbraw/zinc/91/00/73/456910073.db2.gz VZZPAXDJTMUCRP-UHFFFAOYSA-N 2 2 346.519 3.402 10 30 EGEELP C=CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000354505071 457260933 /nfs/dbraw/zinc/26/09/33/457260933.db2.gz RSOSZNVBESQLFO-YOFSQIOKSA-N 2 2 344.499 3.325 10 30 EGEELP C=CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000354505071 457260938 /nfs/dbraw/zinc/26/09/38/457260938.db2.gz RSOSZNVBESQLFO-YOFSQIOKSA-N 2 2 344.499 3.325 10 30 EGEELP C=CCOc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354505071 457260944 /nfs/dbraw/zinc/26/09/44/457260944.db2.gz RSOSZNVBESQLFO-YOFSQIOKSA-N 2 2 344.499 3.325 10 30 EGEELP C=CCOc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354505071 457260947 /nfs/dbraw/zinc/26/09/47/457260947.db2.gz RSOSZNVBESQLFO-YOFSQIOKSA-N 2 2 344.499 3.325 10 30 EGEELP C=C(C)COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000368216614 458018854 /nfs/dbraw/zinc/01/88/54/458018854.db2.gz AUSKZKMPGGSQDL-HNNXBMFYSA-N 2 2 327.428 3.020 10 30 EGEELP C=C(C)COc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000368216614 458018862 /nfs/dbraw/zinc/01/88/62/458018862.db2.gz AUSKZKMPGGSQDL-HNNXBMFYSA-N 2 2 327.428 3.020 10 30 EGEELP N#CC1(c2ccccn2)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000517394250 458828908 /nfs/dbraw/zinc/82/89/08/458828908.db2.gz DKEOYRNEOADVHI-UHFFFAOYSA-N 2 2 349.463 3.386 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111323 459247592 /nfs/dbraw/zinc/24/75/92/459247592.db2.gz OYJYHBXPNRZONF-PGRDOPGGSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111323 459247597 /nfs/dbraw/zinc/24/75/97/459247597.db2.gz OYJYHBXPNRZONF-PGRDOPGGSA-N 2 2 348.494 3.025 10 30 EGEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000596648445 459714101 /nfs/dbraw/zinc/71/41/01/459714101.db2.gz CBBAHAQIKREGQO-NQERJWCQSA-N 2 2 335.451 3.363 10 30 EGEELP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000594446397 460224039 /nfs/dbraw/zinc/22/40/39/460224039.db2.gz SITKZWZVVMRLGX-HNNXBMFYSA-N 2 2 339.443 3.112 10 30 EGEELP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656578 460851017 /nfs/dbraw/zinc/85/10/17/460851017.db2.gz PIDOMOLULPQIHQ-CABCVRRESA-N 2 2 328.378 3.211 10 30 EGEELP C=CCOc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656578 460851019 /nfs/dbraw/zinc/85/10/19/460851019.db2.gz PIDOMOLULPQIHQ-CABCVRRESA-N 2 2 328.378 3.211 10 30 EGEELP Cc1ccc(N[NH+]=Cc2ccccc2N(C)C2CC[NH+](C)CC2)nc1 ZINC000727259550 574656578 /nfs/dbraw/zinc/65/65/78/574656578.db2.gz JBJKBGAMXDZPJQ-UHFFFAOYSA-N 2 2 337.471 3.366 10 30 EGEELP C[N@H+](CC1CCC(C#N)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799582 1328704322 /nfs/dbraw/zinc/70/43/22/1328704322.db2.gz WOMIGHNZDOUARS-UHFFFAOYSA-N 2 2 340.515 3.350 10 30 EGEELP C[N@@H+](CC1CCC(C#N)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799582 1328704325 /nfs/dbraw/zinc/70/43/25/1328704325.db2.gz WOMIGHNZDOUARS-UHFFFAOYSA-N 2 2 340.515 3.350 10 30 EGEELP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCS1 ZINC000922839962 1322630321 /nfs/dbraw/zinc/63/03/21/1322630321.db2.gz VWLDAZZGMIIDHA-HNAYVOBHSA-N 2 2 329.513 3.396 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931330324 1329095599 /nfs/dbraw/zinc/09/55/99/1329095599.db2.gz MSVNAPMHQOQPIF-UHFFFAOYSA-N 2 2 333.520 3.427 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926785488 1327717354 /nfs/dbraw/zinc/71/73/54/1327717354.db2.gz LREGAVFGSZZCNR-TZIWHRDSSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926785488 1327717356 /nfs/dbraw/zinc/71/73/56/1327717356.db2.gz LREGAVFGSZZCNR-TZIWHRDSSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000865651861 1329725418 /nfs/dbraw/zinc/72/54/18/1329725418.db2.gz HYGQARAVLMIDHP-SFHVURJKSA-N 2 2 329.513 3.255 10 30 EGEELP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866239078 1330083213 /nfs/dbraw/zinc/08/32/13/1330083213.db2.gz UFYVGAJKPMAODF-OAHLLOKOSA-N 2 2 339.439 3.055 10 30 EGEELP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324949206 1387845397 /nfs/dbraw/zinc/84/53/97/1387845397.db2.gz XINFKIDQMAKVOE-HXUWFJFHSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324949206 1387845398 /nfs/dbraw/zinc/84/53/98/1387845398.db2.gz XINFKIDQMAKVOE-HXUWFJFHSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCC[NH2+]C1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001317216975 1384996714 /nfs/dbraw/zinc/99/67/14/1384996714.db2.gz LAGBKRPTBUVQSA-DAWZGUTISA-N 2 2 332.492 3.063 10 30 EGEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317687245 1385398446 /nfs/dbraw/zinc/39/84/46/1385398446.db2.gz RINSLFHFRMSCJP-SJORKVTESA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001319620509 1386214249 /nfs/dbraw/zinc/21/42/49/1386214249.db2.gz PQASVBXBXACPIF-MRXNPFEDSA-N 2 2 328.460 3.035 10 30 EGEELP CC(C)(C#N)c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001350338645 1391450278 /nfs/dbraw/zinc/45/02/78/1391450278.db2.gz SIEWQGPGKDZXPF-UHFFFAOYSA-N 2 2 341.499 3.221 10 30 EGEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001481514124 1394360901 /nfs/dbraw/zinc/36/09/01/1394360901.db2.gz PHKMDIDRKFRZLY-UHFFFAOYSA-N 2 2 340.471 3.003 10 30 EGEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001481514124 1394360908 /nfs/dbraw/zinc/36/09/08/1394360908.db2.gz PHKMDIDRKFRZLY-UHFFFAOYSA-N 2 2 340.471 3.003 10 30 EGEELP C=CC[N@H+](C)CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001482504214 1395057287 /nfs/dbraw/zinc/05/72/87/1395057287.db2.gz GEXSCPRIWKWHSH-UHFFFAOYSA-N 2 2 340.471 3.003 10 30 EGEELP C=CC[N@@H+](C)CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001482504214 1395057290 /nfs/dbraw/zinc/05/72/90/1395057290.db2.gz GEXSCPRIWKWHSH-UHFFFAOYSA-N 2 2 340.471 3.003 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492160434 1396310153 /nfs/dbraw/zinc/31/01/53/1396310153.db2.gz XMQVRLMSPSXCBB-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492160434 1396310154 /nfs/dbraw/zinc/31/01/54/1396310154.db2.gz XMQVRLMSPSXCBB-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001690727454 1404698707 /nfs/dbraw/zinc/69/87/07/1404698707.db2.gz WHPHFJFTKHOTHN-QGZVFWFLSA-N 2 2 342.487 3.356 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001692368765 1405978989 /nfs/dbraw/zinc/97/89/89/1405978989.db2.gz GIUNATAHGQODLJ-IRXDYDNUSA-N 2 2 340.471 3.432 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001692368765 1405978991 /nfs/dbraw/zinc/97/89/91/1405978991.db2.gz GIUNATAHGQODLJ-IRXDYDNUSA-N 2 2 340.471 3.432 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001699703794 1413119103 /nfs/dbraw/zinc/11/91/03/1413119103.db2.gz CPAGVIAQAUUHER-HXUWFJFHSA-N 2 2 338.455 3.067 10 30 EGEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001699703794 1413119106 /nfs/dbraw/zinc/11/91/06/1413119106.db2.gz CPAGVIAQAUUHER-HXUWFJFHSA-N 2 2 338.455 3.067 10 30 EGEELP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001713101074 1417653819 /nfs/dbraw/zinc/65/38/19/1417653819.db2.gz LZRBKASBTJCOFV-IBGZPJMESA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714636126 1419407443 /nfs/dbraw/zinc/40/74/43/1419407443.db2.gz MSIZLLFXXFMJFA-KRWDZBQOSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714636126 1419407445 /nfs/dbraw/zinc/40/74/45/1419407445.db2.gz MSIZLLFXXFMJFA-KRWDZBQOSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001716635042 1420793248 /nfs/dbraw/zinc/79/32/48/1420793248.db2.gz JFRTZIQKHXWLJM-WMZOPIPTSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367720 1421304261 /nfs/dbraw/zinc/30/42/61/1421304261.db2.gz PNIMOYUCQHSEGD-ROUUACIJSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367720 1421304264 /nfs/dbraw/zinc/30/42/64/1421304264.db2.gz PNIMOYUCQHSEGD-ROUUACIJSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733765268 1429986099 /nfs/dbraw/zinc/98/60/99/1429986099.db2.gz RQFMXWLKFVGCLX-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733765268 1429986102 /nfs/dbraw/zinc/98/61/02/1429986102.db2.gz RQFMXWLKFVGCLX-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734019663 1437808678 /nfs/dbraw/zinc/80/86/78/1437808678.db2.gz HBRHILAOTQTMES-UHFFFAOYSA-N 2 2 328.460 3.217 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050021 1437839613 /nfs/dbraw/zinc/83/96/13/1437839613.db2.gz ZYLKOYXAKMPPEM-SJORKVTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050021 1437839615 /nfs/dbraw/zinc/83/96/15/1437839615.db2.gz ZYLKOYXAKMPPEM-SJORKVTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001734274463 1438008178 /nfs/dbraw/zinc/00/81/78/1438008178.db2.gz PSLFHVVHTODNBX-UHFFFAOYSA-N 2 2 348.450 3.142 10 30 EGEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156229073 206064241 /nfs/dbraw/zinc/06/42/41/206064241.db2.gz KNCWHZURUIDYOO-SFHVURJKSA-N 2 2 338.455 3.423 10 30 EGEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156229073 206064246 /nfs/dbraw/zinc/06/42/46/206064246.db2.gz KNCWHZURUIDYOO-SFHVURJKSA-N 2 2 338.455 3.423 10 30 EGEELP CC1CC[NH+]([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc2)CC1 ZINC000600721610 460578734 /nfs/dbraw/zinc/57/87/34/460578734.db2.gz UYBWZDZYLJUNNP-VQTJNVASSA-N 2 2 341.499 3.104 10 30 EGEELP Cc1c(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cc(C#N)n1C ZINC000048234794 454460465 /nfs/dbraw/zinc/46/04/65/454460465.db2.gz CYNHNLOBOZGSNT-QGZVFWFLSA-N 2 2 328.485 3.193 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000190462257 455322994 /nfs/dbraw/zinc/32/29/94/455322994.db2.gz QTDRQKMHDZTOMO-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000190462257 455322999 /nfs/dbraw/zinc/32/29/99/455322999.db2.gz QTDRQKMHDZTOMO-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000190462257 455323006 /nfs/dbraw/zinc/32/30/06/455323006.db2.gz QTDRQKMHDZTOMO-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000190462257 455323012 /nfs/dbraw/zinc/32/30/12/455323012.db2.gz QTDRQKMHDZTOMO-MRXNPFEDSA-N 2 2 340.496 3.277 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289527 455940976 /nfs/dbraw/zinc/94/09/76/455940976.db2.gz OEYRHVLOLAVLET-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289527 455940977 /nfs/dbraw/zinc/94/09/77/455940977.db2.gz OEYRHVLOLAVLET-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289527 455940980 /nfs/dbraw/zinc/94/09/80/455940980.db2.gz OEYRHVLOLAVLET-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C ZINC000287805868 456079521 /nfs/dbraw/zinc/07/95/21/456079521.db2.gz OSQGSWDECPXJMM-BLLLJJGKSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)CC[N@H+]1C ZINC000287805868 456079529 /nfs/dbraw/zinc/07/95/29/456079529.db2.gz OSQGSWDECPXJMM-BLLLJJGKSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805868 456079533 /nfs/dbraw/zinc/07/95/33/456079533.db2.gz OSQGSWDECPXJMM-BLLLJJGKSA-N 2 2 336.277 3.235 10 30 EGEELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)CC[NH+]1C ZINC000287805868 456079539 /nfs/dbraw/zinc/07/95/39/456079539.db2.gz OSQGSWDECPXJMM-BLLLJJGKSA-N 2 2 336.277 3.235 10 30 EGEELP COc1ccc([C@@H]([NH2+]CCc2cccc(C#N)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423110203 458430049 /nfs/dbraw/zinc/43/00/49/458430049.db2.gz VGQCCBJTIQRUTN-LEWJYISDSA-N 2 2 335.451 3.192 10 30 EGEELP N#CCc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000519711090 458992578 /nfs/dbraw/zinc/99/25/78/458992578.db2.gz HNKDHAWENNIBHR-UHFFFAOYSA-N 2 2 325.378 3.259 10 30 EGEELP C=CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC ZINC000185223017 547116726 /nfs/dbraw/zinc/11/67/26/547116726.db2.gz WJRXOIIFSFRYKU-KRWDZBQOSA-N 2 2 327.428 3.121 10 30 EGEELP C=CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC ZINC000185223017 547116728 /nfs/dbraw/zinc/11/67/28/547116728.db2.gz WJRXOIIFSFRYKU-KRWDZBQOSA-N 2 2 327.428 3.121 10 30 EGEELP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCO1 ZINC000922816875 1322626640 /nfs/dbraw/zinc/62/66/40/1322626640.db2.gz QWAJPTGBFDROFG-HXUWFJFHSA-N 2 2 327.472 3.071 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257479 1330086230 /nfs/dbraw/zinc/08/62/30/1330086230.db2.gz ILUIIDKBCSBHOJ-IEBWSBKVSA-N 2 2 349.478 3.479 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257479 1330086233 /nfs/dbraw/zinc/08/62/33/1330086233.db2.gz ILUIIDKBCSBHOJ-IEBWSBKVSA-N 2 2 349.478 3.479 10 30 EGEELP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001282677293 1378547761 /nfs/dbraw/zinc/54/77/61/1378547761.db2.gz ZQOUPPGHHXBJFJ-IRXDYDNUSA-N 2 2 343.943 3.220 10 30 EGEELP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001282677293 1378547765 /nfs/dbraw/zinc/54/77/65/1378547765.db2.gz ZQOUPPGHHXBJFJ-IRXDYDNUSA-N 2 2 343.943 3.220 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284072893 1379438337 /nfs/dbraw/zinc/43/83/37/1379438337.db2.gz XBDPNDBWLDYEEQ-CMKODMSKSA-N 2 2 344.503 3.131 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284072893 1379438340 /nfs/dbraw/zinc/43/83/40/1379438340.db2.gz XBDPNDBWLDYEEQ-CMKODMSKSA-N 2 2 344.503 3.131 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001328875775 1388892364 /nfs/dbraw/zinc/89/23/64/1388892364.db2.gz KTELDSMVFCMMPF-HLIUYOAVSA-N 2 2 326.444 3.016 10 30 EGEELP C#CCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001319656573 1386237026 /nfs/dbraw/zinc/23/70/26/1386237026.db2.gz NVGHMLNAKATLJG-LJQANCHMSA-N 2 2 341.499 3.298 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319849891 1386333386 /nfs/dbraw/zinc/33/33/86/1386333386.db2.gz QURFYFPTBNKNRQ-DNVCBOLYSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)C[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001329826205 1389232158 /nfs/dbraw/zinc/23/21/58/1389232158.db2.gz XAOOLCVDTYZZRP-UHFFFAOYSA-N 2 2 340.471 3.241 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001482429195 1394989755 /nfs/dbraw/zinc/98/97/55/1394989755.db2.gz YIJOVJBVYSXQAA-MAUKXSAKSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001486248175 1396189059 /nfs/dbraw/zinc/18/90/59/1396189059.db2.gz UEJJTXAAEFPGMS-QGZVFWFLSA-N 2 2 346.519 3.260 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001689174125 1396958177 /nfs/dbraw/zinc/95/81/77/1396958177.db2.gz DICFDBZWOSMTRH-ZWKOTPCHSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001689174125 1396958181 /nfs/dbraw/zinc/95/81/81/1396958181.db2.gz DICFDBZWOSMTRH-ZWKOTPCHSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001689271960 1397009096 /nfs/dbraw/zinc/00/90/96/1397009096.db2.gz UPGVKCQAJLDIRK-SFHVURJKSA-N 2 2 346.519 3.368 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690707738 1404694485 /nfs/dbraw/zinc/69/44/85/1404694485.db2.gz CCKXZWFLWYRHPV-RDJZCZTQSA-N 2 2 340.471 3.049 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001691581835 1405345713 /nfs/dbraw/zinc/34/57/13/1405345713.db2.gz DMGBDIWYPMKEMD-MSOLQXFVSA-N 2 2 346.519 3.011 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001691581835 1405345716 /nfs/dbraw/zinc/34/57/16/1405345716.db2.gz DMGBDIWYPMKEMD-MSOLQXFVSA-N 2 2 346.519 3.011 10 30 EGEELP C=CCC[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001732259467 1428499733 /nfs/dbraw/zinc/49/97/33/1428499733.db2.gz RHBBHMOMMNTLCN-OXJNMPFZSA-N 2 2 340.471 3.179 10 30 EGEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001699990604 1413437280 /nfs/dbraw/zinc/43/72/80/1413437280.db2.gz GKGGAUJRYAIBLR-CALCHBBNSA-N 2 2 346.519 3.048 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001699990604 1413437283 /nfs/dbraw/zinc/43/72/83/1413437283.db2.gz GKGGAUJRYAIBLR-CALCHBBNSA-N 2 2 346.519 3.048 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001700321136 1413786668 /nfs/dbraw/zinc/78/66/68/1413786668.db2.gz XCRSJTFARHOWDZ-RDJZCZTQSA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001700321136 1413786672 /nfs/dbraw/zinc/78/66/72/1413786672.db2.gz XCRSJTFARHOWDZ-RDJZCZTQSA-N 2 2 334.508 3.200 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001733178445 1429280506 /nfs/dbraw/zinc/28/05/06/1429280506.db2.gz RGSBSRUIVOWXDK-KDOFPFPSSA-N 2 2 329.488 3.460 10 30 EGEELP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714107676 1418907606 /nfs/dbraw/zinc/90/76/06/1418907606.db2.gz KAIWBLLFCIRJDX-ROUUACIJSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714107676 1418907607 /nfs/dbraw/zinc/90/76/07/1418907607.db2.gz KAIWBLLFCIRJDX-ROUUACIJSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714810349 1419521347 /nfs/dbraw/zinc/52/13/47/1419521347.db2.gz JKYLWRRTMNKHSU-OAHLLOKOSA-N 2 2 340.471 3.359 10 30 EGEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001715435170 1420121664 /nfs/dbraw/zinc/12/16/64/1420121664.db2.gz DNKGNKWWBQPEOI-MSOLQXFVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001715494178 1420175559 /nfs/dbraw/zinc/17/55/59/1420175559.db2.gz FPBTYTXPPZKYNS-HOTGVXAUSA-N 2 2 328.460 3.033 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716866596 1420995391 /nfs/dbraw/zinc/99/53/91/1420995391.db2.gz FVOKWLUSZDWELU-YWZLYKJASA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001724742756 1425110083 /nfs/dbraw/zinc/11/00/83/1425110083.db2.gz CGJSPZNDVQHXDN-INIZCTEOSA-N 2 2 348.450 3.491 10 30 EGEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725026159 1425445773 /nfs/dbraw/zinc/44/57/73/1425445773.db2.gz IPKFZQYTIHEUNU-GOSISDBHSA-N 2 2 346.519 3.361 10 30 EGEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725026159 1425445776 /nfs/dbraw/zinc/44/57/76/1425445776.db2.gz IPKFZQYTIHEUNU-GOSISDBHSA-N 2 2 346.519 3.361 10 30 EGEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001725132576 1425603841 /nfs/dbraw/zinc/60/38/41/1425603841.db2.gz YGFDWHQIJVEWQP-UHFFFAOYSA-N 2 2 340.471 3.273 10 30 EGEELP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001731386289 1427332450 /nfs/dbraw/zinc/33/24/50/1427332450.db2.gz RYTMLQCTFZSDAU-QZTJIDSGSA-N 2 2 344.503 3.182 10 30 EGEELP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001731386289 1427332461 /nfs/dbraw/zinc/33/24/61/1427332461.db2.gz RYTMLQCTFZSDAU-QZTJIDSGSA-N 2 2 344.503 3.182 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847046 1428072128 /nfs/dbraw/zinc/07/21/28/1428072128.db2.gz PNTMHPSPIMSCJF-RDJZCZTQSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847046 1428072131 /nfs/dbraw/zinc/07/21/31/1428072131.db2.gz PNTMHPSPIMSCJF-RDJZCZTQSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001731877376 1428141994 /nfs/dbraw/zinc/14/19/94/1428141994.db2.gz SZITUJYGIOBCOY-OAHLLOKOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001731877376 1428141998 /nfs/dbraw/zinc/14/19/98/1428141998.db2.gz SZITUJYGIOBCOY-OAHLLOKOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734332630 1438055550 /nfs/dbraw/zinc/05/55/50/1438055550.db2.gz ATEDGRXGXGFUBL-IAGOWNOFSA-N 2 2 340.471 3.277 10 30 EGEELP CC(C)(S)C[NH2+]C[C@@H]([NH2+]CC(C)(C)S)c1ccccc1O ZINC000028264803 202168416 /nfs/dbraw/zinc/16/84/16/202168416.db2.gz SLUXNRUGUHOMDM-CYBMUJFWSA-N 2 2 328.547 3.029 10 30 EGEELP Cc1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c(C#N)c(C)[nH+]1 ZINC000301811776 267346635 /nfs/dbraw/zinc/34/66/35/267346635.db2.gz ZSCICFVUPDAYJD-CYBMUJFWSA-N 2 2 326.469 3.490 10 30 EGEELP Cc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c(C#N)c(C)[nH+]1 ZINC000301811776 267346638 /nfs/dbraw/zinc/34/66/38/267346638.db2.gz ZSCICFVUPDAYJD-CYBMUJFWSA-N 2 2 326.469 3.490 10 30 EGEELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335836 317040985 /nfs/dbraw/zinc/04/09/85/317040985.db2.gz NHBCHQMFAUNDMQ-UHFFFAOYSA-N 2 2 341.415 3.138 10 30 EGEELP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672774 455223763 /nfs/dbraw/zinc/22/37/63/455223763.db2.gz VMFDKJFXXSWZBS-MRXNPFEDSA-N 2 2 332.407 3.474 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@@H](C)C#N)CC1 ZINC000091983160 454500385 /nfs/dbraw/zinc/50/03/85/454500385.db2.gz GVNXOVPMZGOVRJ-SFHVURJKSA-N 2 2 328.504 3.200 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)C[C@@H](C)C#N)CC1 ZINC000091983160 454500387 /nfs/dbraw/zinc/50/03/87/454500387.db2.gz GVNXOVPMZGOVRJ-SFHVURJKSA-N 2 2 328.504 3.200 10 30 EGEELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CCO1 ZINC000178532101 454960150 /nfs/dbraw/zinc/96/01/50/454960150.db2.gz FSSWVKBQPZXTIK-KRWDZBQOSA-N 2 2 341.499 3.173 10 30 EGEELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CCO1 ZINC000178532101 454960152 /nfs/dbraw/zinc/96/01/52/454960152.db2.gz FSSWVKBQPZXTIK-KRWDZBQOSA-N 2 2 341.499 3.173 10 30 EGEELP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308197 457565547 /nfs/dbraw/zinc/56/55/47/457565547.db2.gz SONDNFPAHRJWFI-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308197 457565550 /nfs/dbraw/zinc/56/55/50/457565550.db2.gz SONDNFPAHRJWFI-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308197 457565555 /nfs/dbraw/zinc/56/55/55/457565555.db2.gz SONDNFPAHRJWFI-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308197 457565559 /nfs/dbraw/zinc/56/55/59/457565559.db2.gz SONDNFPAHRJWFI-RDJZCZTQSA-N 2 2 337.389 3.493 10 30 EGEELP C=CCc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc(OC)c1O ZINC000371333066 457871633 /nfs/dbraw/zinc/87/16/33/457871633.db2.gz CETYPMLKEJZHJD-UHFFFAOYSA-N 2 2 327.428 3.232 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2CNc2cc(CC#N)cc[nH+]2)CC1 ZINC000547340503 458723032 /nfs/dbraw/zinc/72/30/32/458723032.db2.gz XNMABZFJUFAJIX-UHFFFAOYSA-N 2 2 349.482 3.292 10 30 EGEELP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000594493422 459059450 /nfs/dbraw/zinc/05/94/50/459059450.db2.gz MVHJIVZKYUBQLM-IAGOWNOFSA-N 2 2 329.488 3.077 10 30 EGEELP C=CCC[C@H](O)C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135601 459291853 /nfs/dbraw/zinc/29/18/53/459291853.db2.gz NUTTUBMLMRHOCH-PMACEKPBSA-N 2 2 330.516 3.376 10 30 EGEELP C=CCC[C@H](O)C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135601 459291857 /nfs/dbraw/zinc/29/18/57/459291857.db2.gz NUTTUBMLMRHOCH-PMACEKPBSA-N 2 2 330.516 3.376 10 30 EGEELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000596648815 459713709 /nfs/dbraw/zinc/71/37/09/459713709.db2.gz FYFWKCNYOFOHJO-BEKAIBRUSA-N 2 2 327.472 3.203 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cc(N)ccc43)CC2)cc1 ZINC000596651302 459715003 /nfs/dbraw/zinc/71/50/03/459715003.db2.gz MEKWIUBEUBVCPB-QFIPXVFZSA-N 2 2 346.478 3.382 10 30 EGEELP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527806827 459742682 /nfs/dbraw/zinc/74/26/82/459742682.db2.gz FUBCDUSSLSCMFZ-NRFANRHFSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527806827 459742687 /nfs/dbraw/zinc/74/26/87/459742687.db2.gz FUBCDUSSLSCMFZ-NRFANRHFSA-N 2 2 338.499 3.134 10 30 EGEELP C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1 ZINC000653606913 461755840 /nfs/dbraw/zinc/75/58/40/461755840.db2.gz KWNOSWSEQPHESD-HNNXBMFYSA-N 2 2 336.443 3.199 10 30 EGEELP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C#N ZINC000742388661 576778072 /nfs/dbraw/zinc/77/80/72/576778072.db2.gz QVIHALJCHFTMSV-IBGZPJMESA-N 2 2 346.434 3.374 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000872109027 1296735112 /nfs/dbraw/zinc/73/51/12/1296735112.db2.gz GDXLKPGKMVTJPG-GIVPXCGWSA-N 2 2 339.483 3.070 10 30 EGEELP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000859273341 1328958702 /nfs/dbraw/zinc/95/87/02/1328958702.db2.gz FWJGRLLIFZDNHT-UWJYYQICSA-N 2 2 334.467 3.262 10 30 EGEELP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000859273341 1328958706 /nfs/dbraw/zinc/95/87/06/1328958706.db2.gz FWJGRLLIFZDNHT-UWJYYQICSA-N 2 2 334.467 3.262 10 30 EGEELP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000921549533 1322349505 /nfs/dbraw/zinc/34/95/05/1322349505.db2.gz BDTPSWQXRKDZGN-UHFFFAOYSA-N 2 2 349.478 3.297 10 30 EGEELP C=CCCC[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001324870100 1387798450 /nfs/dbraw/zinc/79/84/50/1387798450.db2.gz UOLATCVCIGJYRC-UHFFFAOYSA-N 2 2 340.471 3.361 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001284001510 1379353729 /nfs/dbraw/zinc/35/37/29/1379353729.db2.gz QZLIIYGUJPLSTN-SJLPKXTDSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284072892 1379438307 /nfs/dbraw/zinc/43/83/07/1379438307.db2.gz XBDPNDBWLDYEEQ-BJLQDIEVSA-N 2 2 344.503 3.131 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284072892 1379438312 /nfs/dbraw/zinc/43/83/12/1379438312.db2.gz XBDPNDBWLDYEEQ-BJLQDIEVSA-N 2 2 344.503 3.131 10 30 EGEELP CCCCCCC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001284779946 1380203138 /nfs/dbraw/zinc/20/31/38/1380203138.db2.gz IDQLIALVGYDJQQ-UHFFFAOYSA-N 2 2 342.487 3.497 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001328875778 1388892336 /nfs/dbraw/zinc/89/23/36/1388892336.db2.gz KTELDSMVFCMMPF-VQCLRJIVSA-N 2 2 326.444 3.016 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001319695564 1386256452 /nfs/dbraw/zinc/25/64/52/1386256452.db2.gz GHNBGZGGNZNQRZ-QAPCUYQASA-N 2 2 329.488 3.413 10 30 EGEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001481930018 1394601040 /nfs/dbraw/zinc/60/10/40/1394601040.db2.gz DSRGKEOMVMLIRH-HXUWFJFHSA-N 2 2 340.471 3.097 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498478797 1397025708 /nfs/dbraw/zinc/02/57/08/1397025708.db2.gz BWSAXIFJBQGPDE-ZWKOTPCHSA-N 2 2 340.471 3.097 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690275665 1404442256 /nfs/dbraw/zinc/44/22/56/1404442256.db2.gz OTOBNCOTIJXSLL-IYARVYRRSA-N 2 2 342.487 3.464 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690336699 1404482424 /nfs/dbraw/zinc/48/24/24/1404482424.db2.gz OTOBNCOTIJXSLL-HDICACEKSA-N 2 2 342.487 3.464 10 30 EGEELP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001691274987 1405187420 /nfs/dbraw/zinc/18/74/20/1405187420.db2.gz JAEGNBMYCYJKBF-QGZVFWFLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001691274987 1405187426 /nfs/dbraw/zinc/18/74/26/1405187426.db2.gz JAEGNBMYCYJKBF-QGZVFWFLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001732404283 1428568410 /nfs/dbraw/zinc/56/84/10/1428568410.db2.gz ZWUYBMGVWNEHQL-ROUUACIJSA-N 2 2 344.503 3.113 10 30 EGEELP C=C(C)C[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001732478994 1428605366 /nfs/dbraw/zinc/60/53/66/1428605366.db2.gz YFWMZRAWWCRUJA-WMZOPIPTSA-N 2 2 332.492 3.065 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001699789013 1413194879 /nfs/dbraw/zinc/19/48/79/1413194879.db2.gz IHWPYARAYFOHOJ-GOSISDBHSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733075581 1429230274 /nfs/dbraw/zinc/23/02/74/1429230274.db2.gz VTJMWOVNJPHDAW-MSOLQXFVSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713895924 1418693076 /nfs/dbraw/zinc/69/30/76/1418693076.db2.gz WUCLNQCNSADTFN-GOSISDBHSA-N 2 2 329.488 3.367 10 30 EGEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713895924 1418693078 /nfs/dbraw/zinc/69/30/78/1418693078.db2.gz WUCLNQCNSADTFN-GOSISDBHSA-N 2 2 329.488 3.367 10 30 EGEELP C=C(C)C[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC001714499675 1419225459 /nfs/dbraw/zinc/22/54/59/1419225459.db2.gz ALBMYFWCEOEGSJ-UHFFFAOYSA-N 2 2 338.455 3.081 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717701642 1421574666 /nfs/dbraw/zinc/57/46/66/1421574666.db2.gz AWNCPNBKJYPNND-MRXNPFEDSA-N 2 2 340.471 3.225 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717701642 1421574667 /nfs/dbraw/zinc/57/46/67/1421574667.db2.gz AWNCPNBKJYPNND-MRXNPFEDSA-N 2 2 340.471 3.225 10 30 EGEELP C#CC[NH2+]CCC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001717717348 1421585570 /nfs/dbraw/zinc/58/55/70/1421585570.db2.gz VCTWEECTCHSDEP-SFHVURJKSA-N 2 2 346.434 3.037 10 30 EGEELP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001723625675 1424497501 /nfs/dbraw/zinc/49/75/01/1424497501.db2.gz XPRYMMVMUQRENE-YQQQUEKLSA-N 2 2 344.503 3.131 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761649 1429977325 /nfs/dbraw/zinc/97/73/25/1429977325.db2.gz XBNBCVAXDXTPFU-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761649 1429977327 /nfs/dbraw/zinc/97/73/27/1429977327.db2.gz XBNBCVAXDXTPFU-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001734565231 1438161163 /nfs/dbraw/zinc/16/11/63/1438161163.db2.gz WDHZDZZOFQELBF-QGZVFWFLSA-N 2 2 328.460 3.263 10 30 EGEELP CC(C)(S)C[NH2+]C[C@H]([NH2+]CC(C)(C)S)c1ccccc1O ZINC000028264805 202168009 /nfs/dbraw/zinc/16/80/09/202168009.db2.gz SLUXNRUGUHOMDM-ZDUSSCGKSA-N 2 2 328.547 3.029 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(OC(F)F)c1 ZINC000437605334 270051565 /nfs/dbraw/zinc/05/15/65/270051565.db2.gz PLUKQGUJRAAQAW-UHFFFAOYSA-N 2 2 332.354 3.262 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccccc1 ZINC000290161809 267180369 /nfs/dbraw/zinc/18/03/69/267180369.db2.gz DGLQKOZEAIUDSM-HTAPYJJXSA-N 2 2 349.478 3.234 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187484 314369473 /nfs/dbraw/zinc/36/94/73/314369473.db2.gz BNLONGUFIJMAHC-LAUBAEHRSA-N 2 2 335.451 3.047 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187484 314369476 /nfs/dbraw/zinc/36/94/76/314369476.db2.gz BNLONGUFIJMAHC-LAUBAEHRSA-N 2 2 335.451 3.047 10 30 EGEELP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000151498226 454993765 /nfs/dbraw/zinc/99/37/65/454993765.db2.gz HROGDSZHTRJFSK-MRXNPFEDSA-N 2 2 332.407 3.130 10 30 EGEELP C=CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000357216739 457378509 /nfs/dbraw/zinc/37/85/09/457378509.db2.gz SRUCAKHFTJKFQK-SFHVURJKSA-N 2 2 325.456 3.440 10 30 EGEELP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000357216739 457378516 /nfs/dbraw/zinc/37/85/16/457378516.db2.gz SRUCAKHFTJKFQK-SFHVURJKSA-N 2 2 325.456 3.440 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000358760102 458198669 /nfs/dbraw/zinc/19/86/69/458198669.db2.gz UXDFBMJQHXOLRU-FQEVSTJZSA-N 2 2 336.483 3.490 10 30 EGEELP C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459414324 458363109 /nfs/dbraw/zinc/36/31/09/458363109.db2.gz YKCXZJQJEZYMPO-GOEBONIOSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459414324 458363113 /nfs/dbraw/zinc/36/31/13/458363113.db2.gz YKCXZJQJEZYMPO-GOEBONIOSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000521252311 459135779 /nfs/dbraw/zinc/13/57/79/459135779.db2.gz FMXSNWIYYWSCDV-RHSMWYFYSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000521252311 459135784 /nfs/dbraw/zinc/13/57/84/459135784.db2.gz FMXSNWIYYWSCDV-RHSMWYFYSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000594982593 459205065 /nfs/dbraw/zinc/20/50/65/459205065.db2.gz AXRHWSSJXGMIOA-OXJNMPFZSA-N 2 2 327.472 3.070 10 30 EGEELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CC#N)CC1 ZINC000560407441 459338844 /nfs/dbraw/zinc/33/88/44/459338844.db2.gz IDKFZQJQIDDXBC-CQSZACIVSA-N 2 2 337.427 3.029 10 30 EGEELP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000591573585 459404183 /nfs/dbraw/zinc/40/41/83/459404183.db2.gz ZGFZJAIFXSFWHP-VXKWHMMOSA-N 2 2 347.462 3.082 10 30 EGEELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccncc1C#N ZINC000592103819 459524312 /nfs/dbraw/zinc/52/43/12/459524312.db2.gz LSRNQVHGBJAYFV-IAGOWNOFSA-N 2 2 334.467 3.199 10 30 EGEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000596651453 459714990 /nfs/dbraw/zinc/71/49/90/459714990.db2.gz SPFDINRZICGSBX-NQERJWCQSA-N 2 2 335.451 3.363 10 30 EGEELP N#CC1(CCC[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)CCOCC1 ZINC000619621516 460399117 /nfs/dbraw/zinc/39/91/17/460399117.db2.gz JKZNAGJSUDWIRA-KRWDZBQOSA-N 2 2 342.487 3.109 10 30 EGEELP N#CC1(CCC[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)CCOCC1 ZINC000619621516 460399119 /nfs/dbraw/zinc/39/91/19/460399119.db2.gz JKZNAGJSUDWIRA-KRWDZBQOSA-N 2 2 342.487 3.109 10 30 EGEELP COc1ccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)cc1C#N ZINC000742709723 576793765 /nfs/dbraw/zinc/79/37/65/576793765.db2.gz OGNJVIDAXNFRGH-UHFFFAOYSA-N 2 2 332.407 3.351 10 30 EGEELP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000926733537 1327690371 /nfs/dbraw/zinc/69/03/71/1327690371.db2.gz VPLIOTVFWQPBHL-LJQANCHMSA-N 2 2 327.472 3.427 10 30 EGEELP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001324192522 1387554649 /nfs/dbraw/zinc/55/46/49/1387554649.db2.gz BNIWLNOONYKMMJ-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001698798271 1406470375 /nfs/dbraw/zinc/47/03/75/1406470375.db2.gz RXBPLDNNEJUJMX-UHFFFAOYSA-N 2 2 326.444 3.161 10 30 EGEELP C#CC[N@@H+](CCOC(C)(C)C)C1CC[NH+](CCOC(C)(C)C)CC1 ZINC001349699507 1391354749 /nfs/dbraw/zinc/35/47/49/1391354749.db2.gz DHZOYECTPNTHBV-UHFFFAOYSA-N 2 2 338.536 3.016 10 30 EGEELP C#CC[N@H+](CCOC(C)(C)C)C1CC[NH+](CCOC(C)(C)C)CC1 ZINC001349699507 1391354753 /nfs/dbraw/zinc/35/47/53/1391354753.db2.gz DHZOYECTPNTHBV-UHFFFAOYSA-N 2 2 338.536 3.016 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001479748307 1392366432 /nfs/dbraw/zinc/36/64/32/1392366432.db2.gz RWWWYKGVMCJGEV-SFHVURJKSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001479748307 1392366437 /nfs/dbraw/zinc/36/64/37/1392366437.db2.gz RWWWYKGVMCJGEV-SFHVURJKSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480319602 1392679332 /nfs/dbraw/zinc/67/93/32/1392679332.db2.gz LOWRZAXEYKSTIP-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480319602 1392679337 /nfs/dbraw/zinc/67/93/37/1392679337.db2.gz LOWRZAXEYKSTIP-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C#CCC[NH2+]Cc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001482031868 1394691514 /nfs/dbraw/zinc/69/15/14/1394691514.db2.gz DNOZMBPQSRQIAA-UHFFFAOYSA-N 2 2 335.451 3.050 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001496342423 1396656856 /nfs/dbraw/zinc/65/68/56/1396656856.db2.gz OOIIBZMSSASQQT-CRAIPNDOSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001689271950 1397008900 /nfs/dbraw/zinc/00/89/00/1397008900.db2.gz UPGVKCQAJLDIRK-GOSISDBHSA-N 2 2 346.519 3.368 10 30 EGEELP C=C(C)CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001689990032 1404243968 /nfs/dbraw/zinc/24/39/68/1404243968.db2.gz MSXGBQLONNNCAE-UHFFFAOYSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(C)CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001689990032 1404243972 /nfs/dbraw/zinc/24/39/72/1404243972.db2.gz MSXGBQLONNNCAE-UHFFFAOYSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691898487 1405621038 /nfs/dbraw/zinc/62/10/38/1405621038.db2.gz QJTLRRLUEIIKHP-GOSISDBHSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691898487 1405621044 /nfs/dbraw/zinc/62/10/44/1405621044.db2.gz QJTLRRLUEIIKHP-GOSISDBHSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCC[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001732259468 1428499714 /nfs/dbraw/zinc/49/97/14/1428499714.db2.gz RHBBHMOMMNTLCN-OXQOHEQNSA-N 2 2 340.471 3.179 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001700321134 1413786786 /nfs/dbraw/zinc/78/67/86/1413786786.db2.gz XCRSJTFARHOWDZ-DOTOQJQBSA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001700321134 1413786793 /nfs/dbraw/zinc/78/67/93/1413786793.db2.gz XCRSJTFARHOWDZ-DOTOQJQBSA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001700891278 1414550285 /nfs/dbraw/zinc/55/02/85/1414550285.db2.gz ZSCGYPXPJBLVEU-DLBZAZTESA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001700891278 1414550288 /nfs/dbraw/zinc/55/02/88/1414550288.db2.gz ZSCGYPXPJBLVEU-DLBZAZTESA-N 2 2 334.508 3.200 10 30 EGEELP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001707239676 1417260180 /nfs/dbraw/zinc/26/01/80/1417260180.db2.gz YYCQHURJLCUKTB-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001707455771 1417357863 /nfs/dbraw/zinc/35/78/63/1417357863.db2.gz JOOQYUUOLVURET-UHFFFAOYSA-N 2 2 346.862 3.067 10 30 EGEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001707455771 1417357868 /nfs/dbraw/zinc/35/78/68/1417357868.db2.gz JOOQYUUOLVURET-UHFFFAOYSA-N 2 2 346.862 3.067 10 30 EGEELP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714401747 1419144436 /nfs/dbraw/zinc/14/44/36/1419144436.db2.gz QOSJTSXANKNUBN-ROUUACIJSA-N 2 2 340.471 3.240 10 30 EGEELP C=CCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001715399086 1420097161 /nfs/dbraw/zinc/09/71/61/1420097161.db2.gz GAIOSFGXTLZTKC-QGZVFWFLSA-N 2 2 340.471 3.179 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC001716761846 1420909011 /nfs/dbraw/zinc/90/90/11/1420909011.db2.gz QFUQRHJDJRPUGM-YJBOKZPZSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC001716812475 1420938225 /nfs/dbraw/zinc/93/82/25/1420938225.db2.gz JGHSVILMZMSZBD-HXUWFJFHSA-N 2 2 348.450 3.060 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367263 1421303454 /nfs/dbraw/zinc/30/34/54/1421303454.db2.gz GSFDUZKHWWJIKC-WBVHZDCISA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367263 1421303456 /nfs/dbraw/zinc/30/34/56/1421303456.db2.gz GSFDUZKHWWJIKC-WBVHZDCISA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367719 1421303804 /nfs/dbraw/zinc/30/38/04/1421303804.db2.gz PNIMOYUCQHSEGD-QZTJIDSGSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367719 1421303807 /nfs/dbraw/zinc/30/38/07/1421303807.db2.gz PNIMOYUCQHSEGD-QZTJIDSGSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393088 1429584330 /nfs/dbraw/zinc/58/43/30/1429584330.db2.gz NQSMANPPRYHGRT-FXAWDEMLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733393088 1429584333 /nfs/dbraw/zinc/58/43/33/1429584333.db2.gz NQSMANPPRYHGRT-FXAWDEMLSA-N 2 2 344.503 3.012 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001723429594 1424398582 /nfs/dbraw/zinc/39/85/82/1424398582.db2.gz MWMDQTLSZITEBJ-SFHVURJKSA-N 2 2 342.487 3.417 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001723429594 1424398590 /nfs/dbraw/zinc/39/85/90/1424398590.db2.gz MWMDQTLSZITEBJ-SFHVURJKSA-N 2 2 342.487 3.417 10 30 EGEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001723861160 1424590238 /nfs/dbraw/zinc/59/02/38/1424590238.db2.gz OIFYJDOHDDDMKI-SJLPKXTDSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001734478479 1438126320 /nfs/dbraw/zinc/12/63/20/1438126320.db2.gz VCALYFJPRDCJJV-GDBMZVCRSA-N 2 2 326.444 3.017 10 30 EGEELP Cc1c(C[NH2+]C2CC[NH+](Cc3ccccc3F)CC2)cc(C#N)n1C ZINC000071810445 203117389 /nfs/dbraw/zinc/11/73/89/203117389.db2.gz SYSINCUNEPGIDT-UHFFFAOYSA-N 2 2 340.446 3.099 10 30 EGEELP C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246763503 455523215 /nfs/dbraw/zinc/52/32/15/455523215.db2.gz PPMFAJOYDVCXNO-FXAWDEMLSA-N 2 2 337.471 3.316 10 30 EGEELP C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246763503 455523218 /nfs/dbraw/zinc/52/32/18/455523218.db2.gz PPMFAJOYDVCXNO-FXAWDEMLSA-N 2 2 337.471 3.316 10 30 EGEELP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423104689 458430073 /nfs/dbraw/zinc/43/00/73/458430073.db2.gz YLMSGQZTPCOWQY-LMCOJAPRSA-N 2 2 330.472 3.059 10 30 EGEELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccncc1C#N ZINC000592103821 459524198 /nfs/dbraw/zinc/52/41/98/459524198.db2.gz LSRNQVHGBJAYFV-IRXDYDNUSA-N 2 2 334.467 3.199 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OCC)c(OC)cc2F)CC1 ZINC000527657872 459688215 /nfs/dbraw/zinc/68/82/15/459688215.db2.gz UHZPQTWVFNBEMN-UHFFFAOYSA-N 2 2 336.451 3.363 10 30 EGEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000527806473 459743371 /nfs/dbraw/zinc/74/33/71/459743371.db2.gz LBCUOYFNKWPMOU-SFHVURJKSA-N 2 2 330.472 3.367 10 30 EGEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OC ZINC000527806473 459743377 /nfs/dbraw/zinc/74/33/77/459743377.db2.gz LBCUOYFNKWPMOU-SFHVURJKSA-N 2 2 330.472 3.367 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993886 460274680 /nfs/dbraw/zinc/27/46/80/460274680.db2.gz GVMGSPZICBIQJH-IFMALSPDSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993886 460274682 /nfs/dbraw/zinc/27/46/82/460274682.db2.gz GVMGSPZICBIQJH-IFMALSPDSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993886 460274686 /nfs/dbraw/zinc/27/46/86/460274686.db2.gz GVMGSPZICBIQJH-IFMALSPDSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993886 460274688 /nfs/dbraw/zinc/27/46/88/460274688.db2.gz GVMGSPZICBIQJH-IFMALSPDSA-N 2 2 346.478 3.440 10 30 EGEELP N#CC1(CCC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CCOCC1 ZINC000619621517 460399298 /nfs/dbraw/zinc/39/92/98/460399298.db2.gz JKZNAGJSUDWIRA-QGZVFWFLSA-N 2 2 342.487 3.109 10 30 EGEELP N#CC1(CCC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CCOCC1 ZINC000619621517 460399300 /nfs/dbraw/zinc/39/93/00/460399300.db2.gz JKZNAGJSUDWIRA-QGZVFWFLSA-N 2 2 342.487 3.109 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C=[NH+]Nc2ccc(C)cn2)CC1 ZINC000727259836 574656594 /nfs/dbraw/zinc/65/65/94/574656594.db2.gz NIQJRAMNXZHPDZ-UHFFFAOYSA-N 2 2 337.471 3.368 10 30 EGEELP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000859273339 1328958619 /nfs/dbraw/zinc/95/86/19/1328958619.db2.gz FWJGRLLIFZDNHT-LAUBAEHRSA-N 2 2 334.467 3.262 10 30 EGEELP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000859273339 1328958623 /nfs/dbraw/zinc/95/86/23/1328958623.db2.gz FWJGRLLIFZDNHT-LAUBAEHRSA-N 2 2 334.467 3.262 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000924983243 1323236462 /nfs/dbraw/zinc/23/64/62/1323236462.db2.gz CJFBLOJTYIQDKJ-QGZVFWFLSA-N 2 2 349.519 3.159 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925413166 1325144582 /nfs/dbraw/zinc/14/45/82/1325144582.db2.gz FHWQJPBHADEOMJ-YZGWKJHDSA-N 2 2 327.472 3.474 10 30 EGEELP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925413166 1325144586 /nfs/dbraw/zinc/14/45/86/1325144586.db2.gz FHWQJPBHADEOMJ-YZGWKJHDSA-N 2 2 327.472 3.474 10 30 EGEELP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866267664 1330087820 /nfs/dbraw/zinc/08/78/20/1330087820.db2.gz PQNISJNGCNTURM-ZDUSSCGKSA-N 2 2 327.403 3.315 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001323150106 1387303254 /nfs/dbraw/zinc/30/32/54/1387303254.db2.gz PQFZXGDIRJLIFQ-MSOLQXFVSA-N 2 2 346.519 3.110 10 30 EGEELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001198770520 1369109706 /nfs/dbraw/zinc/10/97/06/1369109706.db2.gz RJHHFODNBQWKNL-UHFFFAOYSA-N 2 2 346.381 3.273 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001316771008 1384569442 /nfs/dbraw/zinc/56/94/42/1384569442.db2.gz RBASIHNFGODKDP-RTBURBONSA-N 2 2 346.519 3.379 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001333364005 1390290079 /nfs/dbraw/zinc/29/00/79/1390290079.db2.gz LTNIUOQXJUQHCU-MRXNPFEDSA-N 2 2 338.455 3.051 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001333364005 1390290085 /nfs/dbraw/zinc/29/00/85/1390290085.db2.gz LTNIUOQXJUQHCU-MRXNPFEDSA-N 2 2 338.455 3.051 10 30 EGEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001482028836 1394687977 /nfs/dbraw/zinc/68/79/77/1394687977.db2.gz DRJXTRYYEORZTF-UHFFFAOYSA-N 2 2 348.450 3.238 10 30 EGEELP C=CCCC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001482043909 1394705095 /nfs/dbraw/zinc/70/50/95/1394705095.db2.gz ZBTXVUILRSMPHS-UHFFFAOYSA-N 2 2 346.519 3.111 10 30 EGEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691410568 1405248671 /nfs/dbraw/zinc/24/86/71/1405248671.db2.gz WZADCHVRMRSSPR-KZNAEPCWSA-N 2 2 332.492 3.017 10 30 EGEELP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691999569 1405715340 /nfs/dbraw/zinc/71/53/40/1405715340.db2.gz OKSQDXSSIMMSRL-YJBOKZPZSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001692016778 1405735796 /nfs/dbraw/zinc/73/57/96/1405735796.db2.gz MLONBIVNWDLQBD-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001692016778 1405735799 /nfs/dbraw/zinc/73/57/99/1405735799.db2.gz MLONBIVNWDLQBD-UHFFFAOYSA-N 2 2 340.471 3.085 10 30 EGEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001692129489 1405787516 /nfs/dbraw/zinc/78/75/16/1405787516.db2.gz VONITWYXCTYDKZ-MSOLQXFVSA-N 2 2 332.492 3.161 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732467273 1428596788 /nfs/dbraw/zinc/59/67/88/1428596788.db2.gz WHFXCSBJQTWZDH-GOSISDBHSA-N 2 2 340.471 3.183 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196500 1413637993 /nfs/dbraw/zinc/63/79/93/1413637993.db2.gz GFBBIESDKSMZIN-MSOLQXFVSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001700196500 1413637997 /nfs/dbraw/zinc/63/79/97/1413637997.db2.gz GFBBIESDKSMZIN-MSOLQXFVSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715059330 1419798895 /nfs/dbraw/zinc/79/88/95/1419798895.db2.gz RJLGSJRGYYDCCO-PBHICJAKSA-N 2 2 328.460 3.095 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717208702 1421180907 /nfs/dbraw/zinc/18/09/07/1421180907.db2.gz JEOGUVLAWAXPBE-HNNXBMFYSA-N 2 2 328.460 3.312 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717208702 1421180909 /nfs/dbraw/zinc/18/09/09/1421180909.db2.gz JEOGUVLAWAXPBE-HNNXBMFYSA-N 2 2 328.460 3.312 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367262 1421303015 /nfs/dbraw/zinc/30/30/15/1421303015.db2.gz GSFDUZKHWWJIKC-RDJZCZTQSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367262 1421303017 /nfs/dbraw/zinc/30/30/17/1421303017.db2.gz GSFDUZKHWWJIKC-RDJZCZTQSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001723861158 1424589979 /nfs/dbraw/zinc/58/99/79/1424589979.db2.gz OIFYJDOHDDDMKI-AEFFLSMTSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001723861161 1424590108 /nfs/dbraw/zinc/59/01/08/1424590108.db2.gz OIFYJDOHDDDMKI-WMZOPIPTSA-N 2 2 338.455 3.031 10 30 EGEELP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001724849935 1425209621 /nfs/dbraw/zinc/20/96/21/1425209621.db2.gz DGYZHPTVIWSKFP-UHFFFAOYSA-N 2 2 328.460 3.003 10 30 EGEELP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001724849935 1425209623 /nfs/dbraw/zinc/20/96/23/1425209623.db2.gz DGYZHPTVIWSKFP-UHFFFAOYSA-N 2 2 328.460 3.003 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001725066351 1425507890 /nfs/dbraw/zinc/50/78/90/1425507890.db2.gz VTXPJKWORSRGNL-NXVRBGIVSA-N 2 2 340.471 3.095 10 30 EGEELP C=C(C)C[NH2+]CC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001725224530 1425792722 /nfs/dbraw/zinc/79/27/22/1425792722.db2.gz UKWAYHVZXAQXRO-SFHVURJKSA-N 2 2 346.519 3.455 10 30 EGEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001725768162 1426450906 /nfs/dbraw/zinc/45/09/06/1426450906.db2.gz XAQPHHIREJYIFN-HNNXBMFYSA-N 2 2 340.471 3.359 10 30 EGEELP C(#CC[N@@H+]1CCC[C@H]1c1ccncc1)C[NH+]1CCC[C@@H]1c1ccncc1 ZINC000276288040 275388509 /nfs/dbraw/zinc/38/85/09/275388509.db2.gz HCYKKVNRWUTPGS-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@H]1c1ccncc1)C[NH+]1CCC[C@@H]1c1ccncc1 ZINC000276288040 275388510 /nfs/dbraw/zinc/38/85/10/275388510.db2.gz HCYKKVNRWUTPGS-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@@H+]1CCC[C@@H]1c1ccncc1)C[NH+]1CCC[C@H]1c1ccncc1 ZINC000276288040 275388511 /nfs/dbraw/zinc/38/85/11/275388511.db2.gz HCYKKVNRWUTPGS-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@@H]1c1ccncc1)C[NH+]1CCC[C@H]1c1ccncc1 ZINC000276288040 275388512 /nfs/dbraw/zinc/38/85/12/275388512.db2.gz HCYKKVNRWUTPGS-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386074271 324265616 /nfs/dbraw/zinc/26/56/16/324265616.db2.gz CBVVPXXKTKMMID-GOEBONIOSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386074271 324265618 /nfs/dbraw/zinc/26/56/18/324265618.db2.gz CBVVPXXKTKMMID-GOEBONIOSA-N 2 2 326.469 3.015 10 30 EGEELP CN(CCC#N)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127751552 454993918 /nfs/dbraw/zinc/99/39/18/454993918.db2.gz DCMNOUKNWOGHDM-UHFFFAOYSA-N 2 2 326.488 3.097 10 30 EGEELP C=CCc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc(OC)c1O ZINC000180125066 455136426 /nfs/dbraw/zinc/13/64/26/455136426.db2.gz QJPPUPKIEIJALF-GOSISDBHSA-N 2 2 341.455 3.299 10 30 EGEELP C=CCc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc(OC)c1O ZINC000180125066 455136429 /nfs/dbraw/zinc/13/64/29/455136429.db2.gz QJPPUPKIEIJALF-GOSISDBHSA-N 2 2 341.455 3.299 10 30 EGEELP Cc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c[nH+]1 ZINC000363669954 457408814 /nfs/dbraw/zinc/40/88/14/457408814.db2.gz DHNFRQUWAXNVFM-MRXNPFEDSA-N 2 2 348.450 3.468 10 30 EGEELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139488 457480275 /nfs/dbraw/zinc/48/02/75/457480275.db2.gz SMYFFJSMYUICHS-CQSZACIVSA-N 2 2 325.378 3.351 10 30 EGEELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139488 457480283 /nfs/dbraw/zinc/48/02/83/457480283.db2.gz SMYFFJSMYUICHS-CQSZACIVSA-N 2 2 325.378 3.351 10 30 EGEELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139488 457480289 /nfs/dbraw/zinc/48/02/89/457480289.db2.gz SMYFFJSMYUICHS-CQSZACIVSA-N 2 2 325.378 3.351 10 30 EGEELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356139488 457480295 /nfs/dbraw/zinc/48/02/95/457480295.db2.gz SMYFFJSMYUICHS-CQSZACIVSA-N 2 2 325.378 3.351 10 30 EGEELP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356310844 457568034 /nfs/dbraw/zinc/56/80/34/457568034.db2.gz ALIOFUFJFFHBQG-UHFFFAOYSA-N 2 2 325.378 3.495 10 30 EGEELP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356310844 457568040 /nfs/dbraw/zinc/56/80/40/457568040.db2.gz ALIOFUFJFFHBQG-UHFFFAOYSA-N 2 2 325.378 3.495 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#N)cc1F ZINC000358552212 458070923 /nfs/dbraw/zinc/07/09/23/458070923.db2.gz DHZPCJSPECQQIH-HNNXBMFYSA-N 2 2 338.430 3.408 10 30 EGEELP N#CCCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000594506262 459066809 /nfs/dbraw/zinc/06/68/09/459066809.db2.gz OHKMEHPYACEJAQ-PMACEKPBSA-N 2 2 327.472 3.264 10 30 EGEELP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000594507454 459068557 /nfs/dbraw/zinc/06/85/57/459068557.db2.gz NPNHWIUOMNQJRE-HNAYVOBHSA-N 2 2 329.513 3.396 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000568337039 459269384 /nfs/dbraw/zinc/26/93/84/459269384.db2.gz QFRHWWHHWOEPPT-HNNXBMFYSA-N 2 2 337.452 3.338 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000568337039 459269385 /nfs/dbraw/zinc/26/93/85/459269385.db2.gz QFRHWWHHWOEPPT-HNNXBMFYSA-N 2 2 337.452 3.338 10 30 EGEELP N#Cc1cnccc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552524 459344528 /nfs/dbraw/zinc/34/45/28/459344528.db2.gz XYBPIOYIRLAZNN-UHFFFAOYSA-N 2 2 331.423 3.284 10 30 EGEELP N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000591573583 459404369 /nfs/dbraw/zinc/40/43/69/459404369.db2.gz ZGFZJAIFXSFWHP-FCHUYYIVSA-N 2 2 347.462 3.082 10 30 EGEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059204 459595792 /nfs/dbraw/zinc/59/57/92/459595792.db2.gz RSZQMFVLJCGNOU-UXHICEINSA-N 2 2 347.547 3.164 10 30 EGEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059204 459595798 /nfs/dbraw/zinc/59/57/98/459595798.db2.gz RSZQMFVLJCGNOU-UXHICEINSA-N 2 2 347.547 3.164 10 30 EGEELP C=CCc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1O ZINC000527807956 459743971 /nfs/dbraw/zinc/74/39/71/459743971.db2.gz OGJGTNBOJVBOCZ-GOSISDBHSA-N 2 2 330.472 3.236 10 30 EGEELP C=CCc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc(OC)c1O ZINC000527807956 459743974 /nfs/dbraw/zinc/74/39/74/459743974.db2.gz OGJGTNBOJVBOCZ-GOSISDBHSA-N 2 2 330.472 3.236 10 30 EGEELP C=C(C)C[NH+]1CCC(Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623951768 460794234 /nfs/dbraw/zinc/79/42/34/460794234.db2.gz ZMEYFMIYTDWVIE-UHFFFAOYSA-N 2 2 349.482 3.449 10 30 EGEELP CC(C)OC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000872117306 1296741427 /nfs/dbraw/zinc/74/14/27/1296741427.db2.gz PSUIISJDEBKUMT-UHFFFAOYSA-N 2 2 341.499 3.460 10 30 EGEELP C=CCC[C@H](COc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883236910 1302325966 /nfs/dbraw/zinc/32/59/66/1302325966.db2.gz MXQDKQMFLZPFJV-WOJBJXKFSA-N 2 2 344.499 3.243 10 30 EGEELP N#Cc1cnc(Cl)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895111450 1309195293 /nfs/dbraw/zinc/19/52/93/1309195293.db2.gz FQQFINVYDIOGGR-WKILWMFISA-N 2 2 341.846 3.278 10 30 EGEELP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001266374246 1377298984 /nfs/dbraw/zinc/29/89/84/1377298984.db2.gz VDJJWVCQKZKTTL-QZTJIDSGSA-N 2 2 344.503 3.017 10 30 EGEELP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001267960249 1377480136 /nfs/dbraw/zinc/48/01/36/1377480136.db2.gz BNIWLNOONYKMMJ-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202154 1384978551 /nfs/dbraw/zinc/97/85/51/1384978551.db2.gz FHKKCAOARLDPRC-ROUUACIJSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202154 1384978553 /nfs/dbraw/zinc/97/85/53/1384978553.db2.gz FHKKCAOARLDPRC-ROUUACIJSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319849890 1386333603 /nfs/dbraw/zinc/33/36/03/1386333603.db2.gz QURFYFPTBNKNRQ-BEFAXECRSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001331303214 1389692302 /nfs/dbraw/zinc/69/23/02/1389692302.db2.gz MPCZUDPXSNSBJB-SFHVURJKSA-N 2 2 329.488 3.413 10 30 EGEELP C=CC[C@@]1(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CCC[NH2+]1 ZINC001343536968 1390721083 /nfs/dbraw/zinc/72/10/83/1390721083.db2.gz SDKRKDVNYVMAJS-JXFKEZNVSA-N 2 2 344.503 3.042 10 30 EGEELP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480319603 1392679608 /nfs/dbraw/zinc/67/96/08/1392679608.db2.gz LOWRZAXEYKSTIP-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001480319603 1392679609 /nfs/dbraw/zinc/67/96/09/1392679609.db2.gz LOWRZAXEYKSTIP-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CC[NH2+]C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@H]1C ZINC001481959442 1394620127 /nfs/dbraw/zinc/62/01/27/1394620127.db2.gz XPAFGIYLJVPECV-KUHUBIRLSA-N 2 2 326.444 3.017 10 30 EGEELP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001482000698 1394659684 /nfs/dbraw/zinc/65/96/84/1394659684.db2.gz ROMHZJYZGAJCDD-LJQANCHMSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001501876836 1396195794 /nfs/dbraw/zinc/19/57/94/1396195794.db2.gz TZTZBPYIUUXEDX-MSOLQXFVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001501876837 1396195827 /nfs/dbraw/zinc/19/58/27/1396195827.db2.gz TZTZBPYIUUXEDX-QZTJIDSGSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498487213 1397032036 /nfs/dbraw/zinc/03/20/36/1397032036.db2.gz QJEDHIIVGXMGIG-WBVHZDCISA-N 2 2 340.471 3.407 10 30 EGEELP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001691274986 1405187062 /nfs/dbraw/zinc/18/70/62/1405187062.db2.gz JAEGNBMYCYJKBF-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001691274986 1405187068 /nfs/dbraw/zinc/18/70/68/1405187068.db2.gz JAEGNBMYCYJKBF-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001700222611 1413671284 /nfs/dbraw/zinc/67/12/84/1413671284.db2.gz NVMOUEKNCXLSDR-UHFFFAOYSA-N 2 2 332.492 3.014 10 30 EGEELP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714107671 1418907706 /nfs/dbraw/zinc/90/77/06/1418907706.db2.gz KAIWBLLFCIRJDX-MSOLQXFVSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001714107671 1418907721 /nfs/dbraw/zinc/90/77/21/1418907721.db2.gz KAIWBLLFCIRJDX-MSOLQXFVSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035808 1419770615 /nfs/dbraw/zinc/77/06/15/1419770615.db2.gz ATNLRBRXWDRWEA-RBUKOAKNSA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035808 1419770616 /nfs/dbraw/zinc/77/06/16/1419770616.db2.gz ATNLRBRXWDRWEA-RBUKOAKNSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829931 1420956332 /nfs/dbraw/zinc/95/63/32/1420956332.db2.gz GDRAKFUBIMAOBJ-FXAWDEMLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829931 1420956334 /nfs/dbraw/zinc/95/63/34/1420956334.db2.gz GDRAKFUBIMAOBJ-FXAWDEMLSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032787 1421086216 /nfs/dbraw/zinc/08/62/16/1421086216.db2.gz QPIVSXPVFSHEHG-RTBURBONSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032787 1421086218 /nfs/dbraw/zinc/08/62/18/1421086218.db2.gz QPIVSXPVFSHEHG-RTBURBONSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717298117 1421241370 /nfs/dbraw/zinc/24/13/70/1421241370.db2.gz VQDCVXCNZPYOKA-IAGOWNOFSA-N 2 2 344.503 3.230 10 30 EGEELP C=CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717298117 1421241372 /nfs/dbraw/zinc/24/13/72/1421241372.db2.gz VQDCVXCNZPYOKA-IAGOWNOFSA-N 2 2 344.503 3.230 10 30 EGEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001717951752 1421722157 /nfs/dbraw/zinc/72/21/57/1421722157.db2.gz GATMMIOVQMFFKJ-SJORKVTESA-N 2 2 343.943 3.028 10 30 EGEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001717951752 1421722160 /nfs/dbraw/zinc/72/21/60/1421722160.db2.gz GATMMIOVQMFFKJ-SJORKVTESA-N 2 2 343.943 3.028 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001734146660 1437914436 /nfs/dbraw/zinc/91/44/36/1437914436.db2.gz UBBXWOUFXZSAEB-JFIYKMOQSA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001734146660 1437914437 /nfs/dbraw/zinc/91/44/37/1437914437.db2.gz UBBXWOUFXZSAEB-JFIYKMOQSA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001734146660 1437914439 /nfs/dbraw/zinc/91/44/39/1437914439.db2.gz UBBXWOUFXZSAEB-JFIYKMOQSA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001734146660 1437914440 /nfs/dbraw/zinc/91/44/40/1437914440.db2.gz UBBXWOUFXZSAEB-JFIYKMOQSA-N 2 2 346.519 3.310 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000386137418 324265548 /nfs/dbraw/zinc/26/55/48/324265548.db2.gz PXGXTYWYFMHSPG-KRWDZBQOSA-N 2 2 340.496 3.407 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000386137418 324265552 /nfs/dbraw/zinc/26/55/52/324265552.db2.gz PXGXTYWYFMHSPG-KRWDZBQOSA-N 2 2 340.496 3.407 10 30 EGEELP CCC[N@H+](C)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739994 460587152 /nfs/dbraw/zinc/58/71/52/460587152.db2.gz GJTIPMHKHCPERH-QZTJIDSGSA-N 2 2 349.906 3.367 10 30 EGEELP CCC[N@@H+](C)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739994 460587160 /nfs/dbraw/zinc/58/71/60/460587160.db2.gz GJTIPMHKHCPERH-QZTJIDSGSA-N 2 2 349.906 3.367 10 30 EGEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000106214522 454686493 /nfs/dbraw/zinc/68/64/93/454686493.db2.gz MKJPGHDSHIJGCF-QGZVFWFLSA-N 2 2 333.439 3.407 10 30 EGEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000106214522 454686500 /nfs/dbraw/zinc/68/65/00/454686500.db2.gz MKJPGHDSHIJGCF-QGZVFWFLSA-N 2 2 333.439 3.407 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291857 455940710 /nfs/dbraw/zinc/94/07/10/455940710.db2.gz FKAPKDINTJDQNM-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291857 455940713 /nfs/dbraw/zinc/94/07/13/455940713.db2.gz FKAPKDINTJDQNM-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291857 455940718 /nfs/dbraw/zinc/94/07/18/455940718.db2.gz FKAPKDINTJDQNM-SFHVURJKSA-N 2 2 338.430 3.046 10 30 EGEELP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000352837783 456353092 /nfs/dbraw/zinc/35/30/92/456353092.db2.gz BPVGPPMNJUMLCA-UHFFFAOYSA-N 2 2 326.469 3.290 10 30 EGEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000424173403 458577282 /nfs/dbraw/zinc/57/72/82/458577282.db2.gz PSBRDSRCYAUQRS-LPHOPBHVSA-N 2 2 334.891 3.485 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694821 459199318 /nfs/dbraw/zinc/19/93/18/459199318.db2.gz YWDSIDUECFPXOD-UTKZUKDTSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694821 459199322 /nfs/dbraw/zinc/19/93/22/459199322.db2.gz YWDSIDUECFPXOD-UTKZUKDTSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111320 459247996 /nfs/dbraw/zinc/24/79/96/459247996.db2.gz OYJYHBXPNRZONF-AVRDEDQJSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111320 459248002 /nfs/dbraw/zinc/24/80/02/459248002.db2.gz OYJYHBXPNRZONF-AVRDEDQJSA-N 2 2 348.494 3.025 10 30 EGEELP C(#CC[N@@H+]1CCc2ccsc2C1)C[NH+]1CCc2ccsc2C1 ZINC000570588544 459557934 /nfs/dbraw/zinc/55/79/34/459557934.db2.gz UCHMTDVQGCQVAE-UHFFFAOYSA-N 2 2 328.506 3.229 10 30 EGEELP C(#CC[N@H+]1CCc2ccsc2C1)C[NH+]1CCc2ccsc2C1 ZINC000570588544 459557962 /nfs/dbraw/zinc/55/79/62/459557962.db2.gz UCHMTDVQGCQVAE-UHFFFAOYSA-N 2 2 328.506 3.229 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597054425 459826098 /nfs/dbraw/zinc/82/60/98/459826098.db2.gz UIXKOXORTBKPIU-UHFFFAOYSA-N 2 2 336.863 3.257 10 30 EGEELP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000883173916 1302284675 /nfs/dbraw/zinc/28/46/75/1302284675.db2.gz WYGJDYSODRMZHT-RTWAWAEBSA-N 2 2 344.499 3.122 10 30 EGEELP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790133 1325301886 /nfs/dbraw/zinc/30/18/86/1325301886.db2.gz DPWHSUAQYGLDNO-QUCCMNQESA-N 2 2 339.483 3.074 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324947507 1387844446 /nfs/dbraw/zinc/84/44/46/1387844446.db2.gz KDAWAKCWLSZBDJ-FQEVSTJZSA-N 2 2 340.471 3.132 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001324947507 1387844448 /nfs/dbraw/zinc/84/44/48/1387844448.db2.gz KDAWAKCWLSZBDJ-FQEVSTJZSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129082 1388393575 /nfs/dbraw/zinc/39/35/75/1388393575.db2.gz FPQRSKWNLSJVLQ-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129082 1388393581 /nfs/dbraw/zinc/39/35/81/1388393581.db2.gz FPQRSKWNLSJVLQ-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC001284070918 1379432683 /nfs/dbraw/zinc/43/26/83/1379432683.db2.gz KUSPNLGWCBFOEW-AZUAARDMSA-N 2 2 346.519 3.344 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC001284070918 1379432685 /nfs/dbraw/zinc/43/26/85/1379432685.db2.gz KUSPNLGWCBFOEW-AZUAARDMSA-N 2 2 346.519 3.344 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968263 1405683598 /nfs/dbraw/zinc/68/35/98/1405683598.db2.gz FXMYRMYGEUUDPR-IRXDYDNUSA-N 2 2 340.471 3.083 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968263 1405683600 /nfs/dbraw/zinc/68/36/00/1405683600.db2.gz FXMYRMYGEUUDPR-IRXDYDNUSA-N 2 2 340.471 3.083 10 30 EGEELP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001692004368 1405721522 /nfs/dbraw/zinc/72/15/22/1405721522.db2.gz JDXKDMFIDACLCQ-IRXDYDNUSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001732230858 1428478010 /nfs/dbraw/zinc/47/80/10/1428478010.db2.gz LUFDTLKXKOANPM-UHFFFAOYSA-N 2 2 326.444 3.161 10 30 EGEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001732402300 1428567305 /nfs/dbraw/zinc/56/73/05/1428567305.db2.gz FJFDSEZFZSSVKE-UHFFFAOYSA-N 2 2 338.455 3.067 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001732404281 1428568346 /nfs/dbraw/zinc/56/83/46/1428568346.db2.gz ZWUYBMGVWNEHQL-MSOLQXFVSA-N 2 2 344.503 3.113 10 30 EGEELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CC#Cc2ccccc2)c(C)[nH+]1 ZINC001699118925 1412519091 /nfs/dbraw/zinc/51/90/91/1412519091.db2.gz KBIVRTRIJQFIQZ-KRWDZBQOSA-N 2 2 349.478 3.157 10 30 EGEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001707174490 1417229107 /nfs/dbraw/zinc/22/91/07/1417229107.db2.gz CDNARELDJBZKQE-ZHALLVOQSA-N 2 2 346.519 3.161 10 30 EGEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001707174490 1417229110 /nfs/dbraw/zinc/22/91/10/1417229110.db2.gz CDNARELDJBZKQE-ZHALLVOQSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713263311 1417871770 /nfs/dbraw/zinc/87/17/70/1417871770.db2.gz IJKQZTRCAZKHEY-AEFFLSMTSA-N 2 2 346.519 3.252 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001713517164 1418254172 /nfs/dbraw/zinc/25/41/72/1418254172.db2.gz DPFVREAOIKYWDR-QZTJIDSGSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001713517164 1418254174 /nfs/dbraw/zinc/25/41/74/1418254174.db2.gz DPFVREAOIKYWDR-QZTJIDSGSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001713517164 1418254177 /nfs/dbraw/zinc/25/41/77/1418254177.db2.gz DPFVREAOIKYWDR-QZTJIDSGSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001713517164 1418254182 /nfs/dbraw/zinc/25/41/82/1418254182.db2.gz DPFVREAOIKYWDR-QZTJIDSGSA-N 2 2 349.906 3.013 10 30 EGEELP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715194018 1419925940 /nfs/dbraw/zinc/92/59/40/1419925940.db2.gz GXXGDSIEISXESW-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715393979 1420091260 /nfs/dbraw/zinc/09/12/60/1420091260.db2.gz VJKVMVGIFPVHRI-HNAYVOBHSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716063511 1420523132 /nfs/dbraw/zinc/52/31/32/1420523132.db2.gz NYWNHUMWYJABOA-ZBFHGGJFSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716866595 1420995541 /nfs/dbraw/zinc/99/55/41/1420995541.db2.gz FVOKWLUSZDWELU-QRWLVFNGSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032782 1421086678 /nfs/dbraw/zinc/08/66/78/1421086678.db2.gz QPIVSXPVFSHEHG-OALUTQOASA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717032782 1421086679 /nfs/dbraw/zinc/08/66/79/1421086679.db2.gz QPIVSXPVFSHEHG-OALUTQOASA-N 2 2 338.455 3.208 10 30 EGEELP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181959773 234394557 /nfs/dbraw/zinc/39/45/57/234394557.db2.gz QYQMCHZWXWNVJA-JOCHJYFZSA-N 2 2 349.478 3.500 10 30 EGEELP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305766699 154116202 /nfs/dbraw/zinc/11/62/02/154116202.db2.gz FNFNKMSUUFEGEF-OAQYLSRUSA-N 2 2 343.515 3.299 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000246153908 455437734 /nfs/dbraw/zinc/43/77/34/455437734.db2.gz CLARDIOPLNPVGE-GHTZIAJQSA-N 2 2 327.516 3.137 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1C ZINC000356124722 457467917 /nfs/dbraw/zinc/46/79/17/457467917.db2.gz PZFQNKQQHAHOOF-DOMZBBRYSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000356124722 457467921 /nfs/dbraw/zinc/46/79/21/457467921.db2.gz PZFQNKQQHAHOOF-DOMZBBRYSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124722 457467924 /nfs/dbraw/zinc/46/79/24/457467924.db2.gz PZFQNKQQHAHOOF-DOMZBBRYSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+]1C ZINC000356124722 457467929 /nfs/dbraw/zinc/46/79/29/457467929.db2.gz PZFQNKQQHAHOOF-DOMZBBRYSA-N 2 2 325.378 3.492 10 30 EGEELP C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459414327 458363790 /nfs/dbraw/zinc/36/37/90/458363790.db2.gz YKCXZJQJEZYMPO-ZBFHGGJFSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459414327 458363794 /nfs/dbraw/zinc/36/37/94/458363794.db2.gz YKCXZJQJEZYMPO-ZBFHGGJFSA-N 2 2 342.443 3.209 10 30 EGEELP C=CC[N@@H+](CCC#N)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000430099669 458401127 /nfs/dbraw/zinc/40/11/27/458401127.db2.gz GBDZPMVFGHZMTC-UHFFFAOYSA-N 2 2 326.488 3.120 10 30 EGEELP C=CC[N@H+](CCC#N)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000430099669 458401131 /nfs/dbraw/zinc/40/11/31/458401131.db2.gz GBDZPMVFGHZMTC-UHFFFAOYSA-N 2 2 326.488 3.120 10 30 EGEELP C(#CC[N@@H+]1CCC[C@H]1c1ccccn1)C[NH+]1CCC[C@H]1c1ccccn1 ZINC000551386976 458888270 /nfs/dbraw/zinc/88/82/70/458888270.db2.gz IYOSFWJUSOMLJB-VXKWHMMOSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@H]1c1ccccn1)C[NH+]1CCC[C@H]1c1ccccn1 ZINC000551386976 458888274 /nfs/dbraw/zinc/88/82/74/458888274.db2.gz IYOSFWJUSOMLJB-VXKWHMMOSA-N 2 2 346.478 3.454 10 30 EGEELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441163608 458894921 /nfs/dbraw/zinc/89/49/21/458894921.db2.gz FFADFUPNKCYDOR-GOSISDBHSA-N 2 2 334.891 3.124 10 30 EGEELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441163608 458894923 /nfs/dbraw/zinc/89/49/23/458894923.db2.gz FFADFUPNKCYDOR-GOSISDBHSA-N 2 2 334.891 3.124 10 30 EGEELP COCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000597254105 459896356 /nfs/dbraw/zinc/89/63/56/459896356.db2.gz IKTKSWPAQFSBBV-UHFFFAOYSA-N 2 2 341.499 3.462 10 30 EGEELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877201 1368509333 /nfs/dbraw/zinc/50/93/33/1368509333.db2.gz TURPAPXKLZTKSE-OAQYLSRUSA-N 2 2 346.434 3.218 10 30 EGEELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877201 1368509338 /nfs/dbraw/zinc/50/93/38/1368509338.db2.gz TURPAPXKLZTKSE-OAQYLSRUSA-N 2 2 346.434 3.218 10 30 EGEELP C=CCC[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001284614531 1380013748 /nfs/dbraw/zinc/01/37/48/1380013748.db2.gz SRWWKEDJWCHHIZ-GOSISDBHSA-N 2 2 340.471 3.183 10 30 EGEELP C#CCC1([NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC001308101177 1384092911 /nfs/dbraw/zinc/09/29/11/1384092911.db2.gz NYENSUQAQJIYJY-UHFFFAOYSA-N 2 2 345.918 3.388 10 30 EGEELP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317187469 1384961853 /nfs/dbraw/zinc/96/18/53/1384961853.db2.gz BTJBZGHGFOKTTG-IBGZPJMESA-N 2 2 338.455 3.033 10 30 EGEELP C=CCC[NH2+]C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@H]1C ZINC001698660895 1406311822 /nfs/dbraw/zinc/31/18/22/1406311822.db2.gz NPMZBOWDPPYWPU-FOIQADDNSA-N 2 2 340.471 3.407 10 30 EGEELP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480696537 1392860394 /nfs/dbraw/zinc/86/03/94/1392860394.db2.gz XBXPWXYEIWZKIL-HOTGVXAUSA-N 2 2 326.444 3.160 10 30 EGEELP C=CC[NH2+]C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@H]1C ZINC001481959440 1394620154 /nfs/dbraw/zinc/62/01/54/1394620154.db2.gz XPAFGIYLJVPECV-AUUYWEPGSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048457 1395212957 /nfs/dbraw/zinc/21/29/57/1395212957.db2.gz UZMDEWHPNHUEOK-MJGOQNOKSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048457 1395212966 /nfs/dbraw/zinc/21/29/66/1395212966.db2.gz UZMDEWHPNHUEOK-MJGOQNOKSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492159925 1396309864 /nfs/dbraw/zinc/30/98/64/1396309864.db2.gz LYGSYLRULCLHTI-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001492159925 1396309865 /nfs/dbraw/zinc/30/98/65/1396309865.db2.gz LYGSYLRULCLHTI-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071409 1428319544 /nfs/dbraw/zinc/31/95/44/1428319544.db2.gz MLFIHDNADIJVFY-JKSUJKDBSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071409 1428319546 /nfs/dbraw/zinc/31/95/46/1428319546.db2.gz MLFIHDNADIJVFY-JKSUJKDBSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071406 1428319953 /nfs/dbraw/zinc/31/99/53/1428319953.db2.gz MLFIHDNADIJVFY-CVEARBPZSA-N 2 2 340.471 3.312 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732071406 1428319955 /nfs/dbraw/zinc/31/99/55/1428319955.db2.gz MLFIHDNADIJVFY-CVEARBPZSA-N 2 2 340.471 3.312 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001732496654 1428618592 /nfs/dbraw/zinc/61/85/92/1428618592.db2.gz USQJXMYRMRTVFQ-IAGOWNOFSA-N 2 2 348.535 3.484 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001700291649 1413745441 /nfs/dbraw/zinc/74/54/41/1413745441.db2.gz JCYVNUJHDLIZAX-GOSISDBHSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001700291649 1413745447 /nfs/dbraw/zinc/74/54/47/1413745447.db2.gz JCYVNUJHDLIZAX-GOSISDBHSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001732561446 1428751642 /nfs/dbraw/zinc/75/16/42/1428751642.db2.gz XYCWQPIXXGZFAS-KSSFIOAISA-N 2 2 328.460 3.262 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012839 1419742131 /nfs/dbraw/zinc/74/21/31/1419742131.db2.gz IFGSCSBFPBEZIH-MAUKXSAKSA-N 2 2 340.471 3.144 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012839 1419742132 /nfs/dbraw/zinc/74/21/32/1419742132.db2.gz IFGSCSBFPBEZIH-MAUKXSAKSA-N 2 2 340.471 3.144 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717196407 1421162267 /nfs/dbraw/zinc/16/22/67/1421162267.db2.gz CZAWEZHGBSCSRH-IRXDYDNUSA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717196407 1421162268 /nfs/dbraw/zinc/16/22/68/1421162268.db2.gz CZAWEZHGBSCSRH-IRXDYDNUSA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717196408 1421162697 /nfs/dbraw/zinc/16/26/97/1421162697.db2.gz CZAWEZHGBSCSRH-SJORKVTESA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717196408 1421162698 /nfs/dbraw/zinc/16/26/98/1421162698.db2.gz CZAWEZHGBSCSRH-SJORKVTESA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725237950 1425831497 /nfs/dbraw/zinc/83/14/97/1425831497.db2.gz RTLRLFDYFDRRAK-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725237950 1425831505 /nfs/dbraw/zinc/83/15/05/1425831505.db2.gz RTLRLFDYFDRRAK-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731295940 1427238362 /nfs/dbraw/zinc/23/83/62/1427238362.db2.gz PQMWLFCHFOBGCE-LPHOPBHVSA-N 2 2 338.455 3.031 10 30 EGEELP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001731295941 1427238648 /nfs/dbraw/zinc/23/86/48/1427238648.db2.gz PQMWLFCHFOBGCE-QFBILLFUSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879789 1437706931 /nfs/dbraw/zinc/70/69/31/1437706931.db2.gz VBTYXMWGGREXBH-ROUUACIJSA-N 2 2 346.519 3.235 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879789 1437706933 /nfs/dbraw/zinc/70/69/33/1437706933.db2.gz VBTYXMWGGREXBH-ROUUACIJSA-N 2 2 346.519 3.235 10 30 EGEELP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308198 277182961 /nfs/dbraw/zinc/18/29/61/277182961.db2.gz SONDNFPAHRJWFI-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308198 277182962 /nfs/dbraw/zinc/18/29/62/277182962.db2.gz SONDNFPAHRJWFI-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308198 277182963 /nfs/dbraw/zinc/18/29/63/277182963.db2.gz SONDNFPAHRJWFI-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308198 277182964 /nfs/dbraw/zinc/18/29/64/277182964.db2.gz SONDNFPAHRJWFI-WBVHZDCISA-N 2 2 337.389 3.493 10 30 EGEELP C[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000551069832 315141494 /nfs/dbraw/zinc/14/14/94/315141494.db2.gz ORMGYOSLJBZEBT-RTWAWAEBSA-N 2 2 335.451 3.362 10 30 EGEELP C[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000551069832 315141498 /nfs/dbraw/zinc/14/14/98/315141498.db2.gz ORMGYOSLJBZEBT-RTWAWAEBSA-N 2 2 335.451 3.362 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812586 454637941 /nfs/dbraw/zinc/63/79/41/454637941.db2.gz YWSVKNGSRILQON-FUHWJXTLSA-N 2 2 336.439 3.306 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812586 454637944 /nfs/dbraw/zinc/63/79/44/454637944.db2.gz YWSVKNGSRILQON-FUHWJXTLSA-N 2 2 336.439 3.306 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237484628 455188670 /nfs/dbraw/zinc/18/86/70/455188670.db2.gz BVFDEOFYSBVCGH-INIZCTEOSA-N 2 2 336.439 3.131 10 30 EGEELP Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000271894360 455798021 /nfs/dbraw/zinc/79/80/21/455798021.db2.gz STNWFUGQERYYLN-UHFFFAOYSA-N 2 2 326.469 3.077 10 30 EGEELP Cc1cc(N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c(C#N)c(C)[nH+]1 ZINC000328648463 456726937 /nfs/dbraw/zinc/72/69/37/456726937.db2.gz UPAYDRFSUFOZCK-LJQANCHMSA-N 2 2 349.482 3.456 10 30 EGEELP Cc1cc(N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)c(C#N)c(C)[nH+]1 ZINC000328648463 456726945 /nfs/dbraw/zinc/72/69/45/456726945.db2.gz UPAYDRFSUFOZCK-LJQANCHMSA-N 2 2 349.482 3.456 10 30 EGEELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350563590 457187848 /nfs/dbraw/zinc/18/78/48/457187848.db2.gz ZOMOVSSTFQIFOA-KBWCOIMZSA-N 2 2 341.499 3.091 10 30 EGEELP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350563590 457187854 /nfs/dbraw/zinc/18/78/54/457187854.db2.gz ZOMOVSSTFQIFOA-KBWCOIMZSA-N 2 2 341.499 3.091 10 30 EGEELP N#C[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373487085 458507788 /nfs/dbraw/zinc/50/77/88/458507788.db2.gz UVLXWLCTCLZWIX-YUCHNRCRSA-N 2 2 329.410 3.464 10 30 EGEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000515019152 458804406 /nfs/dbraw/zinc/80/44/06/458804406.db2.gz IBBKMCGHGNCGOG-UHFFFAOYSA-N 2 2 326.469 3.290 10 30 EGEELP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000594507453 459068657 /nfs/dbraw/zinc/06/86/57/459068657.db2.gz NPNHWIUOMNQJRE-DNVCBOLYSA-N 2 2 329.513 3.396 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564209826 459771413 /nfs/dbraw/zinc/77/14/13/459771413.db2.gz JJTBRHLKPAAZHK-OAQYLSRUSA-N 3 2 339.527 3.424 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564209826 459771417 /nfs/dbraw/zinc/77/14/17/459771417.db2.gz JJTBRHLKPAAZHK-OAQYLSRUSA-N 3 2 339.527 3.424 10 30 EGEELP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000611347850 460341866 /nfs/dbraw/zinc/34/18/66/460341866.db2.gz KYJHDVKZSMLHEN-UHFFFAOYSA-N 2 2 346.438 3.155 10 30 EGEELP COc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1C#N ZINC000619654039 460405532 /nfs/dbraw/zinc/40/55/32/460405532.db2.gz FCQLCVYTDVNNDG-IBGZPJMESA-N 2 2 346.434 3.374 10 30 EGEELP CN(c1ccccc1C=[NH+]Nc1ccc(F)cn1)C1CC[NH+](C)CC1 ZINC000731318035 575065345 /nfs/dbraw/zinc/06/53/45/575065345.db2.gz IEVUSVAKVQPNGN-UHFFFAOYSA-N 2 2 341.434 3.197 10 30 EGEELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921919852 1322422792 /nfs/dbraw/zinc/42/27/92/1322422792.db2.gz CJLDOBVHMCASEX-CQSZACIVSA-N 2 2 326.469 3.330 10 30 EGEELP N#Cc1ccccc1OCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197264851 1368775365 /nfs/dbraw/zinc/77/53/65/1368775365.db2.gz ORODVZKTWKSVKI-IBGZPJMESA-N 2 2 332.407 3.165 10 30 EGEELP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001266374245 1377298832 /nfs/dbraw/zinc/29/88/32/1377298832.db2.gz VDJJWVCQKZKTTL-MSOLQXFVSA-N 2 2 344.503 3.017 10 30 EGEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657785 1377464686 /nfs/dbraw/zinc/46/46/86/1377464686.db2.gz FAMUIOSKHGRUIK-RTBURBONSA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657785 1377464692 /nfs/dbraw/zinc/46/46/92/1377464692.db2.gz FAMUIOSKHGRUIK-RTBURBONSA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001281834125 1378455033 /nfs/dbraw/zinc/45/50/33/1378455033.db2.gz VFPMAQVOFPGKDR-UHFFFAOYSA-N 2 2 340.471 3.313 10 30 EGEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001281834125 1378455034 /nfs/dbraw/zinc/45/50/34/1378455034.db2.gz VFPMAQVOFPGKDR-UHFFFAOYSA-N 2 2 340.471 3.313 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001332149647 1390008192 /nfs/dbraw/zinc/00/81/92/1390008192.db2.gz UVWXKOYYNHRHRK-QXAKKESOSA-N 2 2 346.519 3.139 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481407760 1394262711 /nfs/dbraw/zinc/26/27/11/1394262711.db2.gz GUCCTASEVLDVRR-QZTJIDSGSA-N 2 2 332.492 3.113 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481407760 1394262714 /nfs/dbraw/zinc/26/27/14/1394262714.db2.gz GUCCTASEVLDVRR-QZTJIDSGSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001496342425 1396656741 /nfs/dbraw/zinc/65/67/41/1396656741.db2.gz OOIIBZMSSASQQT-MAUKXSAKSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001496395445 1396686228 /nfs/dbraw/zinc/68/62/28/1396686228.db2.gz GIHYOKOFANENNB-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001725741461 1426417312 /nfs/dbraw/zinc/41/73/12/1426417312.db2.gz CCHJAANVFXCDLI-SFHVURJKSA-N 2 2 340.471 3.183 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819142 1405534997 /nfs/dbraw/zinc/53/49/97/1405534997.db2.gz QOQTYPGKFQFEGY-IAGOWNOFSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819142 1405535000 /nfs/dbraw/zinc/53/50/00/1405535000.db2.gz QOQTYPGKFQFEGY-IAGOWNOFSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819142 1405535004 /nfs/dbraw/zinc/53/50/04/1405535004.db2.gz QOQTYPGKFQFEGY-IAGOWNOFSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819142 1405535006 /nfs/dbraw/zinc/53/50/06/1405535006.db2.gz QOQTYPGKFQFEGY-IAGOWNOFSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001692257527 1405884877 /nfs/dbraw/zinc/88/48/77/1405884877.db2.gz HJZGYTPSPDOCSO-ROUUACIJSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001692257527 1405884881 /nfs/dbraw/zinc/88/48/81/1405884881.db2.gz HJZGYTPSPDOCSO-ROUUACIJSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698582819 1406195662 /nfs/dbraw/zinc/19/56/62/1406195662.db2.gz VDVWXWJOJUYJIG-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698582819 1406195663 /nfs/dbraw/zinc/19/56/63/1406195663.db2.gz VDVWXWJOJUYJIG-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732509993 1428629096 /nfs/dbraw/zinc/62/90/96/1428629096.db2.gz BMMQOQMDNNIAOT-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001732524744 1428643891 /nfs/dbraw/zinc/64/38/91/1428643891.db2.gz CVVMYGQEVWLVCH-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699681737 1413076240 /nfs/dbraw/zinc/07/62/40/1413076240.db2.gz YJBMOTLJVMRWFP-QBUWPKIASA-N 2 2 344.503 3.302 10 30 EGEELP C=CCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001715399085 1420096980 /nfs/dbraw/zinc/09/69/80/1420096980.db2.gz GAIOSFGXTLZTKC-KRWDZBQOSA-N 2 2 340.471 3.179 10 30 EGEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715455448 1420137321 /nfs/dbraw/zinc/13/73/21/1420137321.db2.gz MFZXNQJFHPXTST-IAGOWNOFSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001715498485 1420180449 /nfs/dbraw/zinc/18/04/49/1420180449.db2.gz MLBXKRDFFQNQFX-QGZVFWFLSA-N 2 2 346.519 3.115 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001715498485 1420180451 /nfs/dbraw/zinc/18/04/51/1420180451.db2.gz MLBXKRDFFQNQFX-QGZVFWFLSA-N 2 2 346.519 3.115 10 30 EGEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001715498485 1420180453 /nfs/dbraw/zinc/18/04/53/1420180453.db2.gz MLBXKRDFFQNQFX-QGZVFWFLSA-N 2 2 346.519 3.115 10 30 EGEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001715498485 1420180455 /nfs/dbraw/zinc/18/04/55/1420180455.db2.gz MLBXKRDFFQNQFX-QGZVFWFLSA-N 2 2 346.519 3.115 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001715499164 1420181600 /nfs/dbraw/zinc/18/16/00/1420181600.db2.gz SUUDARLQWRVVGE-INIZCTEOSA-N 2 2 346.519 3.176 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001715499164 1420181604 /nfs/dbraw/zinc/18/16/04/1420181604.db2.gz SUUDARLQWRVVGE-INIZCTEOSA-N 2 2 346.519 3.176 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001733328185 1429513399 /nfs/dbraw/zinc/51/33/99/1429513399.db2.gz PSIPDLRTJCQSIO-HOCLYGCPSA-N 2 2 326.444 3.112 10 30 EGEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733433094 1429640222 /nfs/dbraw/zinc/64/02/22/1429640222.db2.gz VXDXURLAAUNWLZ-AZUAARDMSA-N 2 2 346.519 3.265 10 30 EGEELP C=CC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1CC ZINC001733518507 1429728612 /nfs/dbraw/zinc/72/86/12/1429728612.db2.gz PKJIFJVCQBGQHF-GOSISDBHSA-N 2 2 348.450 3.143 10 30 EGEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC001724072818 1424647535 /nfs/dbraw/zinc/64/75/35/1424647535.db2.gz VRUCWVTYZQENHB-LJQANCHMSA-N 2 2 348.450 3.129 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001725613062 1426274152 /nfs/dbraw/zinc/27/41/52/1426274152.db2.gz AUTBXJQNPDISOF-FGTMMUONSA-N 2 2 346.519 3.139 10 30 EGEELP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001725664950 1426346897 /nfs/dbraw/zinc/34/68/97/1426346897.db2.gz AIHFPZSZSXHDSC-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001731570199 1427610879 /nfs/dbraw/zinc/61/08/79/1427610879.db2.gz NCVMFDAOBGSRTF-UHFFFAOYSA-N 2 2 340.471 3.240 10 30 EGEELP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733680480 1429885644 /nfs/dbraw/zinc/88/56/44/1429885644.db2.gz QWADDNQTDNYCFZ-UHFFFAOYSA-N 2 2 349.478 3.392 10 30 EGEELP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733680480 1429885648 /nfs/dbraw/zinc/88/56/48/1429885648.db2.gz QWADDNQTDNYCFZ-UHFFFAOYSA-N 2 2 349.478 3.392 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767017 1429991234 /nfs/dbraw/zinc/99/12/34/1429991234.db2.gz NWKYKPORGCOGQI-ZWKOTPCHSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767017 1429991238 /nfs/dbraw/zinc/99/12/38/1429991238.db2.gz NWKYKPORGCOGQI-ZWKOTPCHSA-N 2 2 349.906 3.013 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccccc1 ZINC000290161814 267180174 /nfs/dbraw/zinc/18/01/74/267180174.db2.gz DGLQKOZEAIUDSM-JTSKRJEESA-N 2 2 349.478 3.234 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612406464 460621872 /nfs/dbraw/zinc/62/18/72/460621872.db2.gz MUCNJCYFJRHJGC-OAQYLSRUSA-N 2 2 340.515 3.344 10 30 EGEELP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156160796 455088725 /nfs/dbraw/zinc/08/87/25/455088725.db2.gz FUDONWUAMDQEHW-INIZCTEOSA-N 2 2 332.407 3.474 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000190456927 455321867 /nfs/dbraw/zinc/32/18/67/455321867.db2.gz SMWRNHNDGPJLSH-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000190456927 455321872 /nfs/dbraw/zinc/32/18/72/455321872.db2.gz SMWRNHNDGPJLSH-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190456927 455321879 /nfs/dbraw/zinc/32/18/79/455321879.db2.gz SMWRNHNDGPJLSH-CQSZACIVSA-N 2 2 346.525 3.339 10 30 EGEELP CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271917322 455798883 /nfs/dbraw/zinc/79/88/83/455798883.db2.gz ZFHQULXTNKDJRI-TZIWHRDSSA-N 2 2 341.499 3.173 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352836003 456351686 /nfs/dbraw/zinc/35/16/86/456351686.db2.gz LRIMNQXXBZPPOC-QWHZDKJVSA-N 2 2 340.496 3.261 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352836003 456351692 /nfs/dbraw/zinc/35/16/92/456351692.db2.gz LRIMNQXXBZPPOC-QWHZDKJVSA-N 2 2 340.496 3.261 10 30 EGEELP Cc1cc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c(C#N)c(C)[nH+]1 ZINC000328648462 456726606 /nfs/dbraw/zinc/72/66/06/456726606.db2.gz UPAYDRFSUFOZCK-IBGZPJMESA-N 2 2 349.482 3.456 10 30 EGEELP Cc1cc(N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)c(C#N)c(C)[nH+]1 ZINC000328648462 456726614 /nfs/dbraw/zinc/72/66/14/456726614.db2.gz UPAYDRFSUFOZCK-IBGZPJMESA-N 2 2 349.482 3.456 10 30 EGEELP CC[C@H]([NH2+]CC#CC[NH2+][C@@H](CC)c1nccs1)c1nccs1 ZINC000341913486 456998734 /nfs/dbraw/zinc/99/87/34/456998734.db2.gz TYIDLMSJZXJUPR-KBPBESRZSA-N 2 2 334.514 3.385 10 30 EGEELP CC[N@H+](CCC1CC[NH+](Cc2nc(C#N)cs2)CC1)CC1CC1 ZINC000356125173 457467838 /nfs/dbraw/zinc/46/78/38/457467838.db2.gz KHYHCFSGAXUGKJ-UHFFFAOYSA-N 2 2 332.517 3.349 10 30 EGEELP CC[N@@H+](CCC1CC[NH+](Cc2nc(C#N)cs2)CC1)CC1CC1 ZINC000356125173 457467845 /nfs/dbraw/zinc/46/78/45/457467845.db2.gz KHYHCFSGAXUGKJ-UHFFFAOYSA-N 2 2 332.517 3.349 10 30 EGEELP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000421393811 458412738 /nfs/dbraw/zinc/41/27/38/458412738.db2.gz WZDSJOUBBFPADX-WOJBJXKFSA-N 2 2 327.472 3.070 10 30 EGEELP N#Cc1cccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)c1 ZINC000594985601 459205033 /nfs/dbraw/zinc/20/50/33/459205033.db2.gz ZPJSUZYMWDUSLW-UHFFFAOYSA-N 2 2 332.407 3.001 10 30 EGEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000596648441 459714120 /nfs/dbraw/zinc/71/41/20/459714120.db2.gz CBBAHAQIKREGQO-JHVJFLLYSA-N 2 2 335.451 3.363 10 30 EGEELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047272 459902072 /nfs/dbraw/zinc/90/20/72/459902072.db2.gz LOEODMJQMXOYFR-JOCHJYFZSA-N 2 2 349.478 3.016 10 30 EGEELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047272 459902077 /nfs/dbraw/zinc/90/20/77/459902077.db2.gz LOEODMJQMXOYFR-JOCHJYFZSA-N 2 2 349.478 3.016 10 30 EGEELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047272 459902082 /nfs/dbraw/zinc/90/20/82/459902082.db2.gz LOEODMJQMXOYFR-JOCHJYFZSA-N 2 2 349.478 3.016 10 30 EGEELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000609047272 459902087 /nfs/dbraw/zinc/90/20/87/459902087.db2.gz LOEODMJQMXOYFR-JOCHJYFZSA-N 2 2 349.478 3.016 10 30 EGEELP CC[N@@H+](Cc1ccnc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000610993867 460274489 /nfs/dbraw/zinc/27/44/89/460274489.db2.gz LGQNGNFKPTYACB-UHFFFAOYSA-N 2 2 335.455 3.087 10 30 EGEELP CC[N@H+](Cc1ccnc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000610993867 460274492 /nfs/dbraw/zinc/27/44/92/460274492.db2.gz LGQNGNFKPTYACB-UHFFFAOYSA-N 2 2 335.455 3.087 10 30 EGEELP C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nn1 ZINC000668171901 461155691 /nfs/dbraw/zinc/15/56/91/461155691.db2.gz YAVQFHUJQIOUTM-VQTJNVASSA-N 2 2 348.454 3.069 10 30 EGEELP C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nn1 ZINC000668171902 461155766 /nfs/dbraw/zinc/15/57/66/461155766.db2.gz YAVQFHUJQIOUTM-WOJBJXKFSA-N 2 2 348.454 3.069 10 30 EGEELP COC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000922946611 1322656318 /nfs/dbraw/zinc/65/63/18/1322656318.db2.gz LJKXTKFHBUBMKE-LJQANCHMSA-N 2 2 329.488 3.031 10 30 EGEELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739597 1327692479 /nfs/dbraw/zinc/69/24/79/1327692479.db2.gz VWGYEBGBJZGGEZ-LPHOPBHVSA-N 2 2 327.472 3.427 10 30 EGEELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739597 1327692486 /nfs/dbraw/zinc/69/24/86/1327692486.db2.gz VWGYEBGBJZGGEZ-LPHOPBHVSA-N 2 2 327.472 3.427 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001323150107 1387303289 /nfs/dbraw/zinc/30/32/89/1387303289.db2.gz PQFZXGDIRJLIFQ-QZTJIDSGSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001325395783 1387959860 /nfs/dbraw/zinc/95/98/60/1387959860.db2.gz FSCHRKZBKSWSKV-WMZOPIPTSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001325429741 1387971311 /nfs/dbraw/zinc/97/13/11/1387971311.db2.gz VBEJQMDAZQXYSH-FUHWJXTLSA-N 2 2 329.488 3.413 10 30 EGEELP C=C(C)C[NH2+][C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001283452739 1378949551 /nfs/dbraw/zinc/94/95/51/1378949551.db2.gz SRPUVBBRFRVNPC-LJQANCHMSA-N 2 2 340.471 3.183 10 30 EGEELP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284057503 1379409647 /nfs/dbraw/zinc/40/96/47/1379409647.db2.gz MQBWOMNXWVDPPI-CMKODMSKSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284057503 1379409649 /nfs/dbraw/zinc/40/96/49/1379409649.db2.gz MQBWOMNXWVDPPI-CMKODMSKSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479379198 1392229225 /nfs/dbraw/zinc/22/92/25/1392229225.db2.gz GGTBWNMZRQPVEO-DZKIICNBSA-N 2 2 326.444 3.016 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001479687789 1392319615 /nfs/dbraw/zinc/31/96/15/1392319615.db2.gz BDQZPCCFODGTSQ-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001479748306 1392366784 /nfs/dbraw/zinc/36/67/84/1392366784.db2.gz RWWWYKGVMCJGEV-GOSISDBHSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001479748306 1392366786 /nfs/dbraw/zinc/36/67/86/1392366786.db2.gz RWWWYKGVMCJGEV-GOSISDBHSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490801143 1394349661 /nfs/dbraw/zinc/34/96/61/1394349661.db2.gz ZMRQKNHWZDVOJH-QRVBRYPASA-N 2 2 346.519 3.480 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490801143 1394349666 /nfs/dbraw/zinc/34/96/66/1394349666.db2.gz ZMRQKNHWZDVOJH-QRVBRYPASA-N 2 2 346.519 3.480 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001491252824 1394492502 /nfs/dbraw/zinc/49/25/02/1394492502.db2.gz SHZUVYPIKHXTSB-ROUUACIJSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001482000693 1394659889 /nfs/dbraw/zinc/65/98/89/1394659889.db2.gz ROMHZJYZGAJCDD-IBGZPJMESA-N 2 2 346.519 3.265 10 30 EGEELP C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001482071928 1394735442 /nfs/dbraw/zinc/73/54/42/1394735442.db2.gz MYSMUWJBAPALOG-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001482071928 1394735445 /nfs/dbraw/zinc/73/54/45/1394735445.db2.gz MYSMUWJBAPALOG-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819144 1405534915 /nfs/dbraw/zinc/53/49/15/1405534915.db2.gz QOQTYPGKFQFEGY-SJORKVTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819144 1405534918 /nfs/dbraw/zinc/53/49/18/1405534918.db2.gz QOQTYPGKFQFEGY-SJORKVTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819144 1405534920 /nfs/dbraw/zinc/53/49/20/1405534920.db2.gz QOQTYPGKFQFEGY-SJORKVTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819144 1405534923 /nfs/dbraw/zinc/53/49/23/1405534923.db2.gz QOQTYPGKFQFEGY-SJORKVTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823212 1405539626 /nfs/dbraw/zinc/53/96/26/1405539626.db2.gz KSDUHDSWWFXUJZ-SFHVURJKSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001691823212 1405539627 /nfs/dbraw/zinc/53/96/27/1405539627.db2.gz KSDUHDSWWFXUJZ-SFHVURJKSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001732496656 1428618467 /nfs/dbraw/zinc/61/84/67/1428618467.db2.gz USQJXMYRMRTVFQ-SJORKVTESA-N 2 2 348.535 3.484 10 30 EGEELP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001699939658 1413383052 /nfs/dbraw/zinc/38/30/52/1413383052.db2.gz VRVSUXOALOHBNL-AEFFLSMTSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001699980193 1413425364 /nfs/dbraw/zinc/42/53/64/1413425364.db2.gz WIQUBAIBLKYKSN-IYARVYRRSA-N 2 2 346.519 3.015 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700292777 1413748362 /nfs/dbraw/zinc/74/83/62/1413748362.db2.gz NTWQMOVVTHCQFS-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700292777 1413748366 /nfs/dbraw/zinc/74/83/66/1413748366.db2.gz NTWQMOVVTHCQFS-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001700437417 1414006371 /nfs/dbraw/zinc/00/63/71/1414006371.db2.gz JVPLKYDGZDBQME-UHFFFAOYSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713141841 1417723840 /nfs/dbraw/zinc/72/38/40/1417723840.db2.gz MHAJJZNUACAMMK-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713141841 1417723842 /nfs/dbraw/zinc/72/38/42/1417723842.db2.gz MHAJJZNUACAMMK-OTWHNJEPSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714214363 1419012610 /nfs/dbraw/zinc/01/26/10/1419012610.db2.gz NDFSLCMTDCNAMT-RBUKOAKNSA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714403693 1419145988 /nfs/dbraw/zinc/14/59/88/1419145988.db2.gz OSJZDCFMRHQYJJ-CVEARBPZSA-N 2 2 326.444 3.160 10 30 EGEELP C=CC[NH2+]C[C@@]1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC[C@H]1C ZINC001715126576 1419873093 /nfs/dbraw/zinc/87/30/93/1419873093.db2.gz CFRPVOHJYVQCFK-QRWLVFNGSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001715494184 1420175553 /nfs/dbraw/zinc/17/55/53/1420175553.db2.gz FPBTYTXPPZKYNS-HZPDHXFCSA-N 2 2 328.460 3.033 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001716051523 1420515463 /nfs/dbraw/zinc/51/54/63/1420515463.db2.gz ZMBQAOXZEYSBFU-PKOBYXMFSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001716051523 1420515466 /nfs/dbraw/zinc/51/54/66/1420515466.db2.gz ZMBQAOXZEYSBFU-PKOBYXMFSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001716051523 1420515468 /nfs/dbraw/zinc/51/54/68/1420515468.db2.gz ZMBQAOXZEYSBFU-PKOBYXMFSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001716051523 1420515470 /nfs/dbraw/zinc/51/54/70/1420515470.db2.gz ZMBQAOXZEYSBFU-PKOBYXMFSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001716727575 1420886345 /nfs/dbraw/zinc/88/63/45/1420886345.db2.gz FGHUNUMNQOSHGS-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001716812354 1420937839 /nfs/dbraw/zinc/93/78/39/1420937839.db2.gz HBXGDOMCWLVNHJ-FQEVSTJZSA-N 2 2 348.450 3.129 10 30 EGEELP C=CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC001716812354 1420937841 /nfs/dbraw/zinc/93/78/41/1420937841.db2.gz HBXGDOMCWLVNHJ-FQEVSTJZSA-N 2 2 348.450 3.129 10 30 EGEELP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717452948 1421382668 /nfs/dbraw/zinc/38/26/68/1421382668.db2.gz WYISFZVNOFPBLD-UHFFFAOYSA-N 2 2 342.487 3.297 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001734146661 1437914793 /nfs/dbraw/zinc/91/47/93/1437914793.db2.gz UBBXWOUFXZSAEB-NUJGCVRESA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001734146661 1437914795 /nfs/dbraw/zinc/91/47/95/1437914795.db2.gz UBBXWOUFXZSAEB-NUJGCVRESA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001734146661 1437914796 /nfs/dbraw/zinc/91/47/96/1437914796.db2.gz UBBXWOUFXZSAEB-NUJGCVRESA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001734146661 1437914797 /nfs/dbraw/zinc/91/47/97/1437914797.db2.gz UBBXWOUFXZSAEB-NUJGCVRESA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001734493485 1438131222 /nfs/dbraw/zinc/13/12/22/1438131222.db2.gz BFJOMTGASXOFEG-JFIYKMOQSA-N 2 2 346.519 3.310 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001734493485 1438131223 /nfs/dbraw/zinc/13/12/23/1438131223.db2.gz BFJOMTGASXOFEG-JFIYKMOQSA-N 2 2 346.519 3.310 10 30 EGEELP C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328621156 258036195 /nfs/dbraw/zinc/03/61/95/258036195.db2.gz AIPULDALGAXFLC-YJBOKZPZSA-N 2 2 326.469 3.140 10 30 EGEELP C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328621156 258036197 /nfs/dbraw/zinc/03/61/97/258036197.db2.gz AIPULDALGAXFLC-YJBOKZPZSA-N 2 2 326.469 3.140 10 30 EGEELP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328621156 258036199 /nfs/dbraw/zinc/03/61/99/258036199.db2.gz AIPULDALGAXFLC-YJBOKZPZSA-N 2 2 326.469 3.140 10 30 EGEELP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328621156 258036201 /nfs/dbraw/zinc/03/62/01/258036201.db2.gz AIPULDALGAXFLC-YJBOKZPZSA-N 2 2 326.469 3.140 10 30 EGEELP CC(C)Cc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[NH+](C)C)cc1 ZINC000600740906 460586596 /nfs/dbraw/zinc/58/65/96/460586596.db2.gz LAABZIXNEGXHLR-UXHICEINSA-N 2 2 343.515 3.132 10 30 EGEELP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000623527989 460597880 /nfs/dbraw/zinc/59/78/80/460597880.db2.gz SCXCJTHGKMAMIU-CYBMUJFWSA-N 2 2 347.846 3.284 10 30 EGEELP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000623527989 460597884 /nfs/dbraw/zinc/59/78/84/460597884.db2.gz SCXCJTHGKMAMIU-CYBMUJFWSA-N 2 2 347.846 3.284 10 30 EGEELP C#CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471003 455325223 /nfs/dbraw/zinc/32/52/23/455325223.db2.gz DKCOEIJCBZWPLU-NRFANRHFSA-N 2 2 349.478 3.048 10 30 EGEELP C#CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190471003 455325229 /nfs/dbraw/zinc/32/52/29/455325229.db2.gz DKCOEIJCBZWPLU-NRFANRHFSA-N 2 2 349.478 3.048 10 30 EGEELP C#CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471003 455325232 /nfs/dbraw/zinc/32/52/32/455325232.db2.gz DKCOEIJCBZWPLU-NRFANRHFSA-N 2 2 349.478 3.048 10 30 EGEELP C#CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190471003 455325235 /nfs/dbraw/zinc/32/52/35/455325235.db2.gz DKCOEIJCBZWPLU-NRFANRHFSA-N 2 2 349.478 3.048 10 30 EGEELP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245559658 455330734 /nfs/dbraw/zinc/33/07/34/455330734.db2.gz LWNPLTKCFUELBX-IBGZPJMESA-N 2 2 349.482 3.365 10 30 EGEELP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245559658 455330738 /nfs/dbraw/zinc/33/07/38/455330738.db2.gz LWNPLTKCFUELBX-IBGZPJMESA-N 2 2 349.482 3.365 10 30 EGEELP C[C@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000352838073 456353347 /nfs/dbraw/zinc/35/33/47/456353347.db2.gz PIZFRFWJTPZBKR-GOEBONIOSA-N 2 2 326.469 3.157 10 30 EGEELP C[C@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000352838073 456353355 /nfs/dbraw/zinc/35/33/55/456353355.db2.gz PIZFRFWJTPZBKR-GOEBONIOSA-N 2 2 326.469 3.157 10 30 EGEELP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329252925 456861833 /nfs/dbraw/zinc/86/18/33/456861833.db2.gz YVPBILLXEJMJHW-UHFFFAOYSA-N 2 2 342.487 3.445 10 30 EGEELP C[C@H](C#N)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000354045557 457030798 /nfs/dbraw/zinc/03/07/98/457030798.db2.gz WAEXMNIKNZIKTD-QGZVFWFLSA-N 2 2 340.515 3.341 10 30 EGEELP C[C@H](C#N)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000354045557 457030802 /nfs/dbraw/zinc/03/08/02/457030802.db2.gz WAEXMNIKNZIKTD-QGZVFWFLSA-N 2 2 340.515 3.341 10 30 EGEELP COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OCCCC#N ZINC000358138476 457809489 /nfs/dbraw/zinc/80/94/89/457809489.db2.gz MWIXPOPIDINLSD-UHFFFAOYSA-N 2 2 343.471 3.119 10 30 EGEELP COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OCCCC#N ZINC000358138476 457809497 /nfs/dbraw/zinc/80/94/97/457809497.db2.gz MWIXPOPIDINLSD-UHFFFAOYSA-N 2 2 343.471 3.119 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037496 457924661 /nfs/dbraw/zinc/92/46/61/457924661.db2.gz SXIVLFMMULOJDF-USWSCHJFSA-N 2 2 326.488 3.212 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037496 457924672 /nfs/dbraw/zinc/92/46/72/457924672.db2.gz SXIVLFMMULOJDF-USWSCHJFSA-N 2 2 326.488 3.212 10 30 EGEELP Cc1ccc2[nH+]cc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)n2c1 ZINC000594985076 459204612 /nfs/dbraw/zinc/20/46/12/459204612.db2.gz VLOOQGKYUHVIDI-UHFFFAOYSA-N 2 2 346.434 3.310 10 30 EGEELP Cc1cccn2c(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)c[nH+]c12 ZINC000527809910 459744944 /nfs/dbraw/zinc/74/49/44/459744944.db2.gz HRTWRQXJXAZVMD-UHFFFAOYSA-N 2 2 346.434 3.310 10 30 EGEELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000599309401 460224984 /nfs/dbraw/zinc/22/49/84/460224984.db2.gz WWOJXOQOLJXJHX-UHFFFAOYSA-N 2 2 348.494 3.401 10 30 EGEELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000599309401 460224989 /nfs/dbraw/zinc/22/49/89/460224989.db2.gz WWOJXOQOLJXJHX-UHFFFAOYSA-N 2 2 348.494 3.401 10 30 EGEELP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909274 527635594 /nfs/dbraw/zinc/63/55/94/527635594.db2.gz YFHXDZWBCUMLPS-IRXDYDNUSA-N 2 2 338.455 3.112 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000877009709 1299113855 /nfs/dbraw/zinc/11/38/55/1299113855.db2.gz XKAICXZOWSMGLA-IRXDYDNUSA-N 2 2 349.519 3.062 10 30 EGEELP COc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccc1C#N ZINC000895111551 1309195590 /nfs/dbraw/zinc/19/55/90/1309195590.db2.gz HIGOCUXTBLEHLV-IYARVYRRSA-N 2 2 336.439 3.238 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001325395781 1387960072 /nfs/dbraw/zinc/96/00/72/1387960072.db2.gz FSCHRKZBKSWSKV-FUHWJXTLSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001316805203 1384595969 /nfs/dbraw/zinc/59/59/69/1384595969.db2.gz QYTIYCWDTZLKNG-KRWDZBQOSA-N 2 2 340.471 3.456 10 30 EGEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001316805203 1384595972 /nfs/dbraw/zinc/59/59/72/1384595972.db2.gz QYTIYCWDTZLKNG-KRWDZBQOSA-N 2 2 340.471 3.456 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001319695563 1386256171 /nfs/dbraw/zinc/25/61/71/1386256171.db2.gz GHNBGZGGNZNQRZ-MAUKXSAKSA-N 2 2 329.488 3.413 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001332149638 1390007960 /nfs/dbraw/zinc/00/79/60/1390007960.db2.gz UVWXKOYYNHRHRK-BHIYHBOVSA-N 2 2 346.519 3.139 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001479708596 1392332338 /nfs/dbraw/zinc/33/23/38/1392332338.db2.gz PJEDVENEUZJKRU-FGTMMUONSA-N 2 2 332.492 3.016 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001479708596 1392332343 /nfs/dbraw/zinc/33/23/43/1392332343.db2.gz PJEDVENEUZJKRU-FGTMMUONSA-N 2 2 332.492 3.016 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001690160961 1404359007 /nfs/dbraw/zinc/35/90/07/1404359007.db2.gz SBFKORVYXRGPDJ-RDTXWAMCSA-N 2 2 329.488 3.460 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001700100489 1413517715 /nfs/dbraw/zinc/51/77/15/1413517715.db2.gz VMXNGCIINVUPBS-HZPDHXFCSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001700100489 1413517721 /nfs/dbraw/zinc/51/77/21/1413517721.db2.gz VMXNGCIINVUPBS-HZPDHXFCSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001700316847 1413776823 /nfs/dbraw/zinc/77/68/23/1413776823.db2.gz ZMIDHZYBRJSMCO-GOEBONIOSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001700316847 1413776826 /nfs/dbraw/zinc/77/68/26/1413776826.db2.gz ZMIDHZYBRJSMCO-GOEBONIOSA-N 2 2 326.444 3.112 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001700321137 1413787383 /nfs/dbraw/zinc/78/73/83/1413787383.db2.gz XCRSJTFARHOWDZ-WBVHZDCISA-N 2 2 334.508 3.200 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001700321137 1413787387 /nfs/dbraw/zinc/78/73/87/1413787387.db2.gz XCRSJTFARHOWDZ-WBVHZDCISA-N 2 2 334.508 3.200 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712998346 1417550349 /nfs/dbraw/zinc/55/03/49/1417550349.db2.gz FZLLCXZRDRJWNW-IAGOWNOFSA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001714326976 1419105817 /nfs/dbraw/zinc/10/58/17/1419105817.db2.gz FJKKLTIXDUVTKK-CGTJXYLNSA-N 2 2 344.503 3.086 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001714326976 1419105821 /nfs/dbraw/zinc/10/58/21/1419105821.db2.gz FJKKLTIXDUVTKK-CGTJXYLNSA-N 2 2 344.503 3.086 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001715184367 1419917237 /nfs/dbraw/zinc/91/72/37/1419917237.db2.gz FDKIHYDUABZTRD-BRWVUGGUSA-N 2 2 340.471 3.320 10 30 EGEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001715435174 1420121632 /nfs/dbraw/zinc/12/16/32/1420121632.db2.gz DNKGNKWWBQPEOI-ROUUACIJSA-N 2 2 332.492 3.017 10 30 EGEELP CCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001716709148 1420862817 /nfs/dbraw/zinc/86/28/17/1420862817.db2.gz JCXJWLKZCCLABS-YQQQUEKLSA-N 2 2 346.519 3.355 10 30 EGEELP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001734010850 1437802448 /nfs/dbraw/zinc/80/24/48/1437802448.db2.gz SZTPFKWCLXDDMJ-ACBHZAAOSA-N 2 2 346.519 3.406 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050019 1437839714 /nfs/dbraw/zinc/83/97/14/1437839714.db2.gz ZYLKOYXAKMPPEM-IAGOWNOFSA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050019 1437839716 /nfs/dbraw/zinc/83/97/16/1437839716.db2.gz ZYLKOYXAKMPPEM-IAGOWNOFSA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050018 1437839810 /nfs/dbraw/zinc/83/98/10/1437839810.db2.gz ZYLKOYXAKMPPEM-DLBZAZTESA-N 2 2 340.471 3.277 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734050018 1437839812 /nfs/dbraw/zinc/83/98/12/1437839812.db2.gz ZYLKOYXAKMPPEM-DLBZAZTESA-N 2 2 340.471 3.277 10 30 EGEELP N#CCCCOc1cccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000171246302 455050665 /nfs/dbraw/zinc/05/06/65/455050665.db2.gz NQVRBPMSDPYPKE-UHFFFAOYSA-N 2 2 347.422 3.240 10 30 EGEELP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000152249851 455091970 /nfs/dbraw/zinc/09/19/70/455091970.db2.gz CDDSVCOJBBVUCC-MRXNPFEDSA-N 2 2 347.466 3.425 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237591549 455197056 /nfs/dbraw/zinc/19/70/56/455197056.db2.gz BVFDEOFYSBVCGH-MRXNPFEDSA-N 2 2 336.439 3.131 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000265449654 455328067 /nfs/dbraw/zinc/32/80/67/455328067.db2.gz BQKUQYUNKBHKER-UHFFFAOYSA-N 2 2 326.444 3.076 10 30 EGEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000606580525 460699135 /nfs/dbraw/zinc/69/91/35/460699135.db2.gz SFZWIASWWNLBSA-KRWDZBQOSA-N 2 2 341.459 3.154 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291868 455940897 /nfs/dbraw/zinc/94/08/97/455940897.db2.gz FKAPKDINTJDQNM-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291868 455940898 /nfs/dbraw/zinc/94/08/98/455940898.db2.gz FKAPKDINTJDQNM-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000195291868 455940900 /nfs/dbraw/zinc/94/09/00/455940900.db2.gz FKAPKDINTJDQNM-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccccc1 ZINC000290161819 456257039 /nfs/dbraw/zinc/25/70/39/456257039.db2.gz DGLQKOZEAIUDSM-VGSWGCGISA-N 2 2 349.478 3.234 10 30 EGEELP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356140251 457480846 /nfs/dbraw/zinc/48/08/46/457480846.db2.gz TXZLKSWMPSCHMZ-HNNXBMFYSA-N 2 2 332.517 3.491 10 30 EGEELP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356140251 457480853 /nfs/dbraw/zinc/48/08/53/457480853.db2.gz TXZLKSWMPSCHMZ-HNNXBMFYSA-N 2 2 332.517 3.491 10 30 EGEELP N#C[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373487082 458507868 /nfs/dbraw/zinc/50/78/68/458507868.db2.gz UVLXWLCTCLZWIX-UUNGTBAKSA-N 2 2 329.410 3.464 10 30 EGEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903196 458509985 /nfs/dbraw/zinc/50/99/85/458509985.db2.gz JILRLGNRDBZEKZ-CZUORRHYSA-N 2 2 337.414 3.322 10 30 EGEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903196 458509990 /nfs/dbraw/zinc/50/99/90/458509990.db2.gz JILRLGNRDBZEKZ-CZUORRHYSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903196 458509992 /nfs/dbraw/zinc/50/99/92/458509992.db2.gz JILRLGNRDBZEKZ-CZUORRHYSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903196 458509995 /nfs/dbraw/zinc/50/99/95/458509995.db2.gz JILRLGNRDBZEKZ-CZUORRHYSA-N 2 2 337.414 3.322 10 30 EGEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000424166237 458575434 /nfs/dbraw/zinc/57/54/34/458575434.db2.gz AAOSQFDCTMTWON-KXBFYZLASA-N 2 2 334.891 3.485 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000568337040 459268988 /nfs/dbraw/zinc/26/89/88/459268988.db2.gz QFRHWWHHWOEPPT-OAHLLOKOSA-N 2 2 337.452 3.338 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000568337040 459268995 /nfs/dbraw/zinc/26/89/95/459268995.db2.gz QFRHWWHHWOEPPT-OAHLLOKOSA-N 2 2 337.452 3.338 10 30 EGEELP N#CCCCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805877 459743645 /nfs/dbraw/zinc/74/36/45/459743645.db2.gz ISETUMADILIYSM-LJQANCHMSA-N 2 2 327.472 3.476 10 30 EGEELP N#CCCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805877 459743650 /nfs/dbraw/zinc/74/36/50/459743650.db2.gz ISETUMADILIYSM-LJQANCHMSA-N 2 2 327.472 3.476 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993890 460274860 /nfs/dbraw/zinc/27/48/60/460274860.db2.gz GVMGSPZICBIQJH-IRLDBZIGSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993890 460274863 /nfs/dbraw/zinc/27/48/63/460274863.db2.gz GVMGSPZICBIQJH-IRLDBZIGSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993890 460274867 /nfs/dbraw/zinc/27/48/67/460274867.db2.gz GVMGSPZICBIQJH-IRLDBZIGSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993890 460274871 /nfs/dbraw/zinc/27/48/71/460274871.db2.gz GVMGSPZICBIQJH-IRLDBZIGSA-N 2 2 346.478 3.440 10 30 EGEELP C(#Cc1ccccc1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000685414050 550413916 /nfs/dbraw/zinc/41/39/16/550413916.db2.gz XVBZQWMXKZHCEP-UHFFFAOYSA-N 2 2 327.431 3.409 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324891854 1387807827 /nfs/dbraw/zinc/80/78/27/1387807827.db2.gz FBJPZGTUZKBTEW-IRXDYDNUSA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324891854 1387807829 /nfs/dbraw/zinc/80/78/29/1387807829.db2.gz FBJPZGTUZKBTEW-IRXDYDNUSA-N 2 2 346.519 3.161 10 30 EGEELP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001266374248 1377298790 /nfs/dbraw/zinc/29/87/90/1377298790.db2.gz VDJJWVCQKZKTTL-ZWKOTPCHSA-N 2 2 344.503 3.017 10 30 EGEELP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001282677291 1378547493 /nfs/dbraw/zinc/54/74/93/1378547493.db2.gz ZQOUPPGHHXBJFJ-IAGOWNOFSA-N 2 2 343.943 3.220 10 30 EGEELP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001282677291 1378547495 /nfs/dbraw/zinc/54/74/95/1378547495.db2.gz ZQOUPPGHHXBJFJ-IAGOWNOFSA-N 2 2 343.943 3.220 10 30 EGEELP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001175758008 1385397134 /nfs/dbraw/zinc/39/71/34/1385397134.db2.gz JGFQKHCGIZSYBQ-HXUWFJFHSA-N 2 2 341.499 3.322 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001479687788 1392319717 /nfs/dbraw/zinc/31/97/17/1392319717.db2.gz BDQZPCCFODGTSQ-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048459 1395212374 /nfs/dbraw/zinc/21/23/74/1395212374.db2.gz UZMDEWHPNHUEOK-PKOBYXMFSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001484048459 1395212376 /nfs/dbraw/zinc/21/23/76/1395212376.db2.gz UZMDEWHPNHUEOK-PKOBYXMFSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498487208 1397032099 /nfs/dbraw/zinc/03/20/99/1397032099.db2.gz QJEDHIIVGXMGIG-RDJZCZTQSA-N 2 2 340.471 3.407 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001690022963 1404261762 /nfs/dbraw/zinc/26/17/62/1404261762.db2.gz ACDKRBNUKXPIQZ-LJQANCHMSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691619937 1405360918 /nfs/dbraw/zinc/36/09/18/1405360918.db2.gz CYXMDIFWLFIVOP-FUHWJXTLSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691619937 1405360924 /nfs/dbraw/zinc/36/09/24/1405360924.db2.gz CYXMDIFWLFIVOP-FUHWJXTLSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698582823 1406195925 /nfs/dbraw/zinc/19/59/25/1406195925.db2.gz VDVWXWJOJUYJIG-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698582823 1406195927 /nfs/dbraw/zinc/19/59/27/1406195927.db2.gz VDVWXWJOJUYJIG-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001700260404 1413709076 /nfs/dbraw/zinc/70/90/76/1413709076.db2.gz AVOPZNXDKUMEAE-WMZOPIPTSA-N 2 2 348.535 3.334 10 30 EGEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700440339 1414012540 /nfs/dbraw/zinc/01/25/40/1414012540.db2.gz RVLKMAQEECXRRC-UHFFFAOYSA-N 2 2 342.487 3.297 10 30 EGEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001700975706 1414610239 /nfs/dbraw/zinc/61/02/39/1414610239.db2.gz VGDFZIYSDXYHAM-UHFFFAOYSA-N 2 2 343.943 3.028 10 30 EGEELP C=C(Cl)C[N@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001700975706 1414610240 /nfs/dbraw/zinc/61/02/40/1414610240.db2.gz VGDFZIYSDXYHAM-UHFFFAOYSA-N 2 2 343.943 3.028 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001713053387 1417605915 /nfs/dbraw/zinc/60/59/15/1417605915.db2.gz VBBKWFUZEGYJOP-QGZVFWFLSA-N 2 2 346.519 3.204 10 30 EGEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001713699103 1418455429 /nfs/dbraw/zinc/45/54/29/1418455429.db2.gz TZBMMVPFMCTHJH-IBGZPJMESA-N 2 2 340.471 3.030 10 30 EGEELP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001714230621 1419023285 /nfs/dbraw/zinc/02/32/85/1419023285.db2.gz UMFJWZSPZNOPOX-MSOLQXFVSA-N 2 2 332.492 3.019 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724710124 1425065290 /nfs/dbraw/zinc/06/52/90/1425065290.db2.gz HKFDMACYWRVNOY-SJLPKXTDSA-N 2 2 346.519 3.110 10 30 EGEELP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001724749027 1425118997 /nfs/dbraw/zinc/11/89/97/1425118997.db2.gz NEIYILHEUYBEFC-AWEZNQCLSA-N 2 2 334.423 3.330 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725649017 1426331704 /nfs/dbraw/zinc/33/17/04/1426331704.db2.gz CKZXKVLERXBXIQ-QZTJIDSGSA-N 2 2 329.488 3.461 10 30 EGEELP C=CCC[C@H](C)[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001731877375 1428142490 /nfs/dbraw/zinc/14/24/90/1428142490.db2.gz SZITUJYGIOBCOY-HNNXBMFYSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@H](C)[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001731877375 1428142493 /nfs/dbraw/zinc/14/24/93/1428142493.db2.gz SZITUJYGIOBCOY-HNNXBMFYSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761648 1429977132 /nfs/dbraw/zinc/97/71/32/1429977132.db2.gz XBNBCVAXDXTPFU-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761648 1429977133 /nfs/dbraw/zinc/97/71/33/1429977133.db2.gz XBNBCVAXDXTPFU-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=CC[NH2+]CCC[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001734284941 1438012866 /nfs/dbraw/zinc/01/28/66/1438012866.db2.gz MIDCRAIJFXYXRR-GOSISDBHSA-N 2 2 348.450 3.361 10 30 EGEELP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459296951 267004261 /nfs/dbraw/zinc/00/42/61/267004261.db2.gz HVFSIVFTLGSSMK-UHFFFAOYSA-N 2 2 344.459 3.410 10 30 EGEELP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459296951 267004264 /nfs/dbraw/zinc/00/42/64/267004264.db2.gz HVFSIVFTLGSSMK-UHFFFAOYSA-N 2 2 344.459 3.410 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187486 314369383 /nfs/dbraw/zinc/36/93/83/314369383.db2.gz BNLONGUFIJMAHC-UWJYYQICSA-N 2 2 335.451 3.047 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187486 314369387 /nfs/dbraw/zinc/36/93/87/314369387.db2.gz BNLONGUFIJMAHC-UWJYYQICSA-N 2 2 335.451 3.047 10 30 EGEELP C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000156234596 455096308 /nfs/dbraw/zinc/09/63/08/455096308.db2.gz KAHKAYNZYJRFDQ-QGZVFWFLSA-N 2 2 335.451 3.413 10 30 EGEELP C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647086 455216996 /nfs/dbraw/zinc/21/69/96/455216996.db2.gz WYZMYNIQPHDQSY-OAHLLOKOSA-N 2 2 345.406 3.033 10 30 EGEELP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc2c1CCCC2 ZINC000262437988 456035793 /nfs/dbraw/zinc/03/57/93/456035793.db2.gz GWOABRQEOJTZGB-UHFFFAOYSA-N 2 2 337.471 3.068 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cc[nH]c4n3)CC2)cc1 ZINC000353619429 456807487 /nfs/dbraw/zinc/80/74/87/456807487.db2.gz HXPQWYDBMVOHBC-UHFFFAOYSA-N 2 2 345.450 3.189 10 30 EGEELP COc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccc1C#N ZINC000353649007 456828656 /nfs/dbraw/zinc/82/86/56/456828656.db2.gz MWNBNXBFEONWNI-UHFFFAOYSA-N 2 2 341.377 3.073 10 30 EGEELP C#CCCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000371683161 458031438 /nfs/dbraw/zinc/03/14/38/458031438.db2.gz KDIDAAAPWICUAZ-UHFFFAOYSA-N 2 2 335.451 3.242 10 30 EGEELP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CC(CF)(CF)C3)CC2)c1 ZINC000595046199 459227287 /nfs/dbraw/zinc/22/72/87/459227287.db2.gz JOPJAJROWBCSLQ-UHFFFAOYSA-N 2 2 333.426 3.200 10 30 EGEELP COC1(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000593695354 459956223 /nfs/dbraw/zinc/95/62/23/459956223.db2.gz LUSWSWRTJGNYQP-KRWDZBQOSA-N 2 2 341.499 3.460 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900026 526538072 /nfs/dbraw/zinc/53/80/72/526538072.db2.gz OEZPCWKETGJVRF-DLBZAZTESA-N 2 2 340.471 3.336 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC000877009468 1299112840 /nfs/dbraw/zinc/11/28/40/1299112840.db2.gz NJVOHWIQEZOSQZ-JQHSSLGASA-N 2 2 349.519 3.014 10 30 EGEELP C#CCC[NH2+]C1(CC)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001281023155 1378394208 /nfs/dbraw/zinc/39/42/08/1378394208.db2.gz IQDLNDMEKAZVPT-UHFFFAOYSA-N 2 2 327.472 3.005 10 30 EGEELP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001332949785 1390222450 /nfs/dbraw/zinc/22/24/50/1390222450.db2.gz MIGIKCJBLMQMBR-MJGOQNOKSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001496429972 1396705944 /nfs/dbraw/zinc/70/59/44/1396705944.db2.gz DVZXVNQQLYYEFL-WMZOPIPTSA-N 2 2 340.471 3.049 10 30 EGEELP C=CC[NH+]1CCC(N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001690135904 1404332814 /nfs/dbraw/zinc/33/28/14/1404332814.db2.gz XGHXIAXNYUSRCN-UHFFFAOYSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001691790218 1405499194 /nfs/dbraw/zinc/49/91/94/1405499194.db2.gz KUJZXOYMPIONSC-MSOLQXFVSA-N 2 2 346.519 3.020 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001691790218 1405499197 /nfs/dbraw/zinc/49/91/97/1405499197.db2.gz KUJZXOYMPIONSC-MSOLQXFVSA-N 2 2 346.519 3.020 10 30 EGEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001699939662 1413382962 /nfs/dbraw/zinc/38/29/62/1413382962.db2.gz VRVSUXOALOHBNL-SJLPKXTDSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001732561447 1428751852 /nfs/dbraw/zinc/75/18/52/1428751852.db2.gz XYCWQPIXXGZFAS-RDTXWAMCSA-N 2 2 328.460 3.262 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732617784 1428880190 /nfs/dbraw/zinc/88/01/90/1428880190.db2.gz IOQGHVAZUSUXRR-GOEBONIOSA-N 2 2 326.444 3.017 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977384 1418758485 /nfs/dbraw/zinc/75/84/85/1418758485.db2.gz XFKVTLCABAEBSA-ZWKOTPCHSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713977384 1418758487 /nfs/dbraw/zinc/75/84/87/1418758487.db2.gz XFKVTLCABAEBSA-ZWKOTPCHSA-N 2 2 346.519 3.236 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714517243 1419243756 /nfs/dbraw/zinc/24/37/56/1419243756.db2.gz MZPPNPBJPKVKAY-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714517243 1419243757 /nfs/dbraw/zinc/24/37/57/1419243757.db2.gz MZPPNPBJPKVKAY-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220550 1429341320 /nfs/dbraw/zinc/34/13/20/1429341320.db2.gz GIWRRRVWXVNKMZ-VQIMIIECSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220550 1429341325 /nfs/dbraw/zinc/34/13/25/1429341325.db2.gz GIWRRRVWXVNKMZ-VQIMIIECSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCCCCC[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714964800 1419702441 /nfs/dbraw/zinc/70/24/41/1419702441.db2.gz LFIOWJGCTUABQJ-UHFFFAOYSA-N 2 2 340.471 3.051 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012844 1419741798 /nfs/dbraw/zinc/74/17/98/1419741798.db2.gz IFGSCSBFPBEZIH-YJBOKZPZSA-N 2 2 340.471 3.144 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012844 1419741801 /nfs/dbraw/zinc/74/18/01/1419741801.db2.gz IFGSCSBFPBEZIH-YJBOKZPZSA-N 2 2 340.471 3.144 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367260 1421302826 /nfs/dbraw/zinc/30/28/26/1421302826.db2.gz GSFDUZKHWWJIKC-DOTOQJQBSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001717367260 1421302830 /nfs/dbraw/zinc/30/28/30/1421302830.db2.gz GSFDUZKHWWJIKC-DOTOQJQBSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367718 1421303984 /nfs/dbraw/zinc/30/39/84/1421303984.db2.gz PNIMOYUCQHSEGD-MSOLQXFVSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717367718 1421303988 /nfs/dbraw/zinc/30/39/88/1421303988.db2.gz PNIMOYUCQHSEGD-MSOLQXFVSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001717795090 1421626542 /nfs/dbraw/zinc/62/65/42/1421626542.db2.gz DNUZMEWDMGAGKA-QFBILLFUSA-N 2 2 338.455 3.031 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001723727489 1424552066 /nfs/dbraw/zinc/55/20/66/1424552066.db2.gz SSLQIJZPJRRHOB-HXUWFJFHSA-N 2 2 346.519 3.155 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001723727489 1424552072 /nfs/dbraw/zinc/55/20/72/1424552072.db2.gz SSLQIJZPJRRHOB-HXUWFJFHSA-N 2 2 346.519 3.155 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324039 1424811410 /nfs/dbraw/zinc/81/14/10/1424811410.db2.gz OGMNWYJQGOBBEM-UYAOXDASSA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324039 1424811416 /nfs/dbraw/zinc/81/14/16/1424811416.db2.gz OGMNWYJQGOBBEM-UYAOXDASSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001724651980 1425013872 /nfs/dbraw/zinc/01/38/72/1425013872.db2.gz NIEADLBVRSOCEX-QRVBRYPASA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001724651980 1425013882 /nfs/dbraw/zinc/01/38/82/1425013882.db2.gz NIEADLBVRSOCEX-QRVBRYPASA-N 2 2 344.503 3.112 10 30 EGEELP C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001725675337 1426360292 /nfs/dbraw/zinc/36/02/92/1426360292.db2.gz QZSYVORRNMIXKG-QGZVFWFLSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731535658 1427532001 /nfs/dbraw/zinc/53/20/01/1427532001.db2.gz HKGULZPZOPHOME-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001731535658 1427532002 /nfs/dbraw/zinc/53/20/02/1427532002.db2.gz HKGULZPZOPHOME-GOSISDBHSA-N 2 2 340.471 3.193 10 30 EGEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468892 144159449 /nfs/dbraw/zinc/15/94/49/144159449.db2.gz CUNIZYUMCNPDAE-UNMCSNQZSA-N 2 2 348.494 3.324 10 30 EGEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468892 144159452 /nfs/dbraw/zinc/15/94/52/144159452.db2.gz CUNIZYUMCNPDAE-UNMCSNQZSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468892 144159453 /nfs/dbraw/zinc/15/94/53/144159453.db2.gz CUNIZYUMCNPDAE-UNMCSNQZSA-N 2 2 348.494 3.324 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CC[C@@H]21 ZINC000187468892 144159455 /nfs/dbraw/zinc/15/94/55/144159455.db2.gz CUNIZYUMCNPDAE-UNMCSNQZSA-N 2 2 348.494 3.324 10 30 EGEELP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000579804888 325160881 /nfs/dbraw/zinc/16/08/81/325160881.db2.gz DVNIWNOCGQHJIX-UHFFFAOYSA-N 2 2 330.432 3.019 10 30 EGEELP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000579804888 325160885 /nfs/dbraw/zinc/16/08/85/325160885.db2.gz DVNIWNOCGQHJIX-UHFFFAOYSA-N 2 2 330.432 3.019 10 30 EGEELP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189906159 455252684 /nfs/dbraw/zinc/25/26/84/455252684.db2.gz USNVSQZXLUNTQT-OAHLLOKOSA-N 2 2 345.406 3.033 10 30 EGEELP Cc1c(C[NH2+]C[C@H]2CCCn3cc(C(C)(C)C)[nH+]c32)cc(C#N)n1C ZINC000089536575 454160459 /nfs/dbraw/zinc/16/04/59/454160459.db2.gz DWQICIAKUZCMGB-OAHLLOKOSA-N 2 2 339.487 3.366 10 30 EGEELP Cc1c(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cc(C#N)n1C ZINC000048234793 454460373 /nfs/dbraw/zinc/46/03/73/454460373.db2.gz CYNHNLOBOZGSNT-KRWDZBQOSA-N 2 2 328.485 3.193 10 30 EGEELP C=CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180127762 455135878 /nfs/dbraw/zinc/13/58/78/455135878.db2.gz LGQARUFFNHYLPZ-SFHVURJKSA-N 2 2 341.455 3.430 10 30 EGEELP C=CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180127762 455135880 /nfs/dbraw/zinc/13/58/80/455135880.db2.gz LGQARUFFNHYLPZ-SFHVURJKSA-N 2 2 341.455 3.430 10 30 EGEELP C=CCc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(OC)c1O ZINC000271193109 456165502 /nfs/dbraw/zinc/16/55/02/456165502.db2.gz NBPHTCLKGNWJMP-UHFFFAOYSA-N 2 2 327.428 3.232 10 30 EGEELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc(C#N)cs1 ZINC000352835998 456351212 /nfs/dbraw/zinc/35/12/12/456351212.db2.gz LRIMNQXXBZPPOC-HUUCEWRRSA-N 2 2 340.496 3.261 10 30 EGEELP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000421393810 458412753 /nfs/dbraw/zinc/41/27/53/458412753.db2.gz WZDSJOUBBFPADX-VQTJNVASSA-N 2 2 327.472 3.070 10 30 EGEELP C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000521252308 459135019 /nfs/dbraw/zinc/13/50/19/459135019.db2.gz FMXSNWIYYWSCDV-PBHICJAKSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000521252308 459135022 /nfs/dbraw/zinc/13/50/22/459135022.db2.gz FMXSNWIYYWSCDV-PBHICJAKSA-N 2 2 342.443 3.209 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491062021 459595477 /nfs/dbraw/zinc/59/54/77/459595477.db2.gz PRUJMQHMEKSJJX-VQTJNVASSA-N 2 2 349.563 3.388 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491062021 459595484 /nfs/dbraw/zinc/59/54/84/459595484.db2.gz PRUJMQHMEKSJJX-VQTJNVASSA-N 2 2 349.563 3.388 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000610994653 460274696 /nfs/dbraw/zinc/27/46/96/460274696.db2.gz LMTOXUZLWFXCKO-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000610994653 460274699 /nfs/dbraw/zinc/27/46/99/460274699.db2.gz LMTOXUZLWFXCKO-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994653 460274701 /nfs/dbraw/zinc/27/47/01/460274701.db2.gz LMTOXUZLWFXCKO-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994653 460274703 /nfs/dbraw/zinc/27/47/03/460274703.db2.gz LMTOXUZLWFXCKO-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C=CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000657298095 462026255 /nfs/dbraw/zinc/02/62/55/462026255.db2.gz RTMPRTDHUUWQOX-UHFFFAOYSA-N 2 2 339.487 3.130 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000152973605 526603011 /nfs/dbraw/zinc/60/30/11/526603011.db2.gz HZVSGJSWKLVMLI-UHFFFAOYSA-N 3 2 341.543 3.324 10 30 EGEELP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000185222997 547117022 /nfs/dbraw/zinc/11/70/22/547117022.db2.gz WJRXOIIFSFRYKU-QGZVFWFLSA-N 2 2 327.428 3.121 10 30 EGEELP C=CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000185222997 547117026 /nfs/dbraw/zinc/11/70/26/547117026.db2.gz WJRXOIIFSFRYKU-QGZVFWFLSA-N 2 2 327.428 3.121 10 30 EGEELP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877743681 1299522037 /nfs/dbraw/zinc/52/20/37/1299522037.db2.gz LTUMCWOYSMOKMV-ZWKOTPCHSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877743681 1299522043 /nfs/dbraw/zinc/52/20/43/1299522043.db2.gz LTUMCWOYSMOKMV-ZWKOTPCHSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877743681 1299522049 /nfs/dbraw/zinc/52/20/49/1299522049.db2.gz LTUMCWOYSMOKMV-ZWKOTPCHSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC ZINC000877743681 1299522053 /nfs/dbraw/zinc/52/20/53/1299522053.db2.gz LTUMCWOYSMOKMV-ZWKOTPCHSA-N 2 2 330.472 3.176 10 30 EGEELP C=CCC[C@@H](COc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883236909 1302326485 /nfs/dbraw/zinc/32/64/85/1302326485.db2.gz MXQDKQMFLZPFJV-VQTJNVASSA-N 2 2 344.499 3.243 10 30 EGEELP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000921555376 1322349968 /nfs/dbraw/zinc/34/99/68/1322349968.db2.gz CXGOEGZUMQDRSA-UHFFFAOYSA-N 2 2 334.467 3.324 10 30 EGEELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739598 1327692711 /nfs/dbraw/zinc/69/27/11/1327692711.db2.gz VWGYEBGBJZGGEZ-QFBILLFUSA-N 2 2 327.472 3.427 10 30 EGEELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000926739598 1327692720 /nfs/dbraw/zinc/69/27/20/1327692720.db2.gz VWGYEBGBJZGGEZ-QFBILLFUSA-N 2 2 327.472 3.427 10 30 EGEELP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1O ZINC000866289777 1330091294 /nfs/dbraw/zinc/09/12/94/1330091294.db2.gz LDBUOTAJIXTMLJ-HNNXBMFYSA-N 2 2 336.439 3.226 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129079 1388393292 /nfs/dbraw/zinc/39/32/92/1388393292.db2.gz FPQRSKWNLSJVLQ-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129079 1388393297 /nfs/dbraw/zinc/39/32/97/1388393297.db2.gz FPQRSKWNLSJVLQ-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001284001505 1379353993 /nfs/dbraw/zinc/35/39/93/1379353993.db2.gz QZLIIYGUJPLSTN-AEFFLSMTSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001284686800 1380098422 /nfs/dbraw/zinc/09/84/22/1380098422.db2.gz XDWLOBCXNGVPML-MRXNPFEDSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001319654391 1386235885 /nfs/dbraw/zinc/23/58/85/1386235885.db2.gz DQJCEXPEYDCFKC-GOSISDBHSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383402 1392727510 /nfs/dbraw/zinc/72/75/10/1392727510.db2.gz PUIGGGBFWUNPDO-QZTJIDSGSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383402 1392727512 /nfs/dbraw/zinc/72/75/12/1392727512.db2.gz PUIGGGBFWUNPDO-QZTJIDSGSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110142 1394431079 /nfs/dbraw/zinc/43/10/79/1394431079.db2.gz FIDDGVKERMOKFK-HZPDHXFCSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491110142 1394431081 /nfs/dbraw/zinc/43/10/81/1394431081.db2.gz FIDDGVKERMOKFK-HZPDHXFCSA-N 2 2 340.471 3.359 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699008770 1406834610 /nfs/dbraw/zinc/83/46/10/1406834610.db2.gz KLYJLVXRZNUWBT-HKUYNNGSSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699008770 1406834616 /nfs/dbraw/zinc/83/46/16/1406834616.db2.gz KLYJLVXRZNUWBT-HKUYNNGSSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699008770 1406834620 /nfs/dbraw/zinc/83/46/20/1406834620.db2.gz KLYJLVXRZNUWBT-HKUYNNGSSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699008770 1406834623 /nfs/dbraw/zinc/83/46/23/1406834623.db2.gz KLYJLVXRZNUWBT-HKUYNNGSSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001496395446 1396685935 /nfs/dbraw/zinc/68/59/35/1396685935.db2.gz GIHYOKOFANENNB-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691619936 1405360765 /nfs/dbraw/zinc/36/07/65/1405360765.db2.gz CYXMDIFWLFIVOP-AEFFLSMTSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691619936 1405360771 /nfs/dbraw/zinc/36/07/71/1405360771.db2.gz CYXMDIFWLFIVOP-AEFFLSMTSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699752401 1413159922 /nfs/dbraw/zinc/15/99/22/1413159922.db2.gz STUPLLBDHIVVBD-HOCLYGCPSA-N 2 2 326.444 3.112 10 30 EGEELP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001707239675 1417260089 /nfs/dbraw/zinc/26/00/89/1417260089.db2.gz YYCQHURJLCUKTB-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733075584 1429230502 /nfs/dbraw/zinc/23/05/02/1429230502.db2.gz VTJMWOVNJPHDAW-QZTJIDSGSA-N 2 2 340.471 3.097 10 30 EGEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)C)cc1 ZINC001713698507 1418453889 /nfs/dbraw/zinc/45/38/89/1418453889.db2.gz PVDIHSWEOYDUPQ-GOSISDBHSA-N 2 2 340.471 3.099 10 30 EGEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001714167696 1418976691 /nfs/dbraw/zinc/97/66/91/1418976691.db2.gz XJMDKFMTYIJCNK-IBGZPJMESA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714636129 1419407264 /nfs/dbraw/zinc/40/72/64/1419407264.db2.gz MSIZLLFXXFMJFA-QGZVFWFLSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714636129 1419407265 /nfs/dbraw/zinc/40/72/65/1419407265.db2.gz MSIZLLFXXFMJFA-QGZVFWFLSA-N 2 2 340.471 3.132 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001716899977 1421029892 /nfs/dbraw/zinc/02/98/92/1421029892.db2.gz JVOWPOUYZTXADT-MJGOQNOKSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001716899977 1421029894 /nfs/dbraw/zinc/02/98/94/1421029894.db2.gz JVOWPOUYZTXADT-MJGOQNOKSA-N 2 2 332.492 3.019 10 30 EGEELP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001717117283 1421121739 /nfs/dbraw/zinc/12/17/39/1421121739.db2.gz YIBMBRAETHYOGK-OAHLLOKOSA-N 2 2 346.434 3.167 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001717523810 1421459301 /nfs/dbraw/zinc/45/93/01/1421459301.db2.gz FSHIIYPFQFCSAW-GVDBMIGSSA-N 2 2 344.503 3.277 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001717523810 1421459303 /nfs/dbraw/zinc/45/93/03/1421459303.db2.gz FSHIIYPFQFCSAW-GVDBMIGSSA-N 2 2 344.503 3.277 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001733432035 1429639069 /nfs/dbraw/zinc/63/90/69/1429639069.db2.gz MQCDDOAWVKJYHE-UZLBHIALSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001724742760 1425109835 /nfs/dbraw/zinc/10/98/35/1425109835.db2.gz CGJSPZNDVQHXDN-MRXNPFEDSA-N 2 2 348.450 3.491 10 30 EGEELP C=CCCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001724882439 1425263571 /nfs/dbraw/zinc/26/35/71/1425263571.db2.gz BZGMQSZOBXXQFP-UHFFFAOYSA-N 2 2 346.519 3.254 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001724943672 1425328673 /nfs/dbraw/zinc/32/86/73/1425328673.db2.gz GDEYSCGCECUNOJ-JKSUJKDBSA-N 2 2 334.508 3.094 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001734438572 1438100680 /nfs/dbraw/zinc/10/06/80/1438100680.db2.gz MNZCZWXMBAKIRM-CMKODMSKSA-N 2 2 344.503 3.160 10 30 EGEELP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001734438572 1438100681 /nfs/dbraw/zinc/10/06/81/1438100681.db2.gz MNZCZWXMBAKIRM-CMKODMSKSA-N 2 2 344.503 3.160 10 30 EGEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000195291512 455941268 /nfs/dbraw/zinc/94/12/68/455941268.db2.gz KLKTUJVRBRRQBV-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000195291512 455941276 /nfs/dbraw/zinc/94/12/76/455941276.db2.gz KLKTUJVRBRRQBV-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000195291512 455941282 /nfs/dbraw/zinc/94/12/82/455941282.db2.gz KLKTUJVRBRRQBV-GOSISDBHSA-N 2 2 338.430 3.046 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000352842352 456355772 /nfs/dbraw/zinc/35/57/72/456355772.db2.gz WEYAEPFFZMNJNZ-CYBMUJFWSA-N 2 2 332.498 3.078 10 30 EGEELP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000352842352 456355780 /nfs/dbraw/zinc/35/57/80/456355780.db2.gz WEYAEPFFZMNJNZ-CYBMUJFWSA-N 2 2 332.498 3.078 10 30 EGEELP Cc1ccc(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)c[nH+]1 ZINC000374660258 457682627 /nfs/dbraw/zinc/68/26/27/457682627.db2.gz FLHFAIYMCJFEHZ-UHFFFAOYSA-N 2 2 334.423 3.080 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358566180 458080413 /nfs/dbraw/zinc/08/04/13/458080413.db2.gz INPGNLHEOIDYDL-PNHOKKKMSA-N 2 2 345.462 3.116 10 30 EGEELP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000594507452 459068132 /nfs/dbraw/zinc/06/81/32/459068132.db2.gz NPNHWIUOMNQJRE-BEFAXECRSA-N 2 2 329.513 3.396 10 30 EGEELP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596047760 459501487 /nfs/dbraw/zinc/50/14/87/459501487.db2.gz RJXWXIDIOHQIJM-VQTJNVASSA-N 2 2 336.483 3.322 10 30 EGEELP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596047760 459501493 /nfs/dbraw/zinc/50/14/93/459501493.db2.gz RJXWXIDIOHQIJM-VQTJNVASSA-N 2 2 336.483 3.322 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592086526 459522394 /nfs/dbraw/zinc/52/23/94/459522394.db2.gz JYKVBTBVWWBBCW-GOSISDBHSA-N 2 2 331.423 3.276 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592086526 459522397 /nfs/dbraw/zinc/52/23/97/459522397.db2.gz JYKVBTBVWWBBCW-GOSISDBHSA-N 2 2 331.423 3.276 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cc(N)ccc43)CC2)cc1 ZINC000596651301 459715023 /nfs/dbraw/zinc/71/50/23/459715023.db2.gz MEKWIUBEUBVCPB-JOCHJYFZSA-N 2 2 346.478 3.382 10 30 EGEELP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000187860382 535322164 /nfs/dbraw/zinc/32/21/64/535322164.db2.gz POHNLDZPFHYTOC-IBGZPJMESA-N 2 2 327.472 3.070 10 30 EGEELP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877743677 1299520612 /nfs/dbraw/zinc/52/06/12/1299520612.db2.gz LTUMCWOYSMOKMV-QZTJIDSGSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877743677 1299520620 /nfs/dbraw/zinc/52/06/20/1299520620.db2.gz LTUMCWOYSMOKMV-QZTJIDSGSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877743677 1299520624 /nfs/dbraw/zinc/52/06/24/1299520624.db2.gz LTUMCWOYSMOKMV-QZTJIDSGSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1OC ZINC000877743677 1299520631 /nfs/dbraw/zinc/52/06/31/1299520631.db2.gz LTUMCWOYSMOKMV-QZTJIDSGSA-N 2 2 330.472 3.176 10 30 EGEELP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000883173915 1302284881 /nfs/dbraw/zinc/28/48/81/1302284881.db2.gz WYGJDYSODRMZHT-NHCUHLMSSA-N 2 2 344.499 3.122 10 30 EGEELP C=CCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001324484845 1387643758 /nfs/dbraw/zinc/64/37/58/1387643758.db2.gz XQVWXNCSQAQQQI-GOSISDBHSA-N 2 2 329.488 3.461 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001325429742 1387971334 /nfs/dbraw/zinc/97/13/34/1387971334.db2.gz VBEJQMDAZQXYSH-SJLPKXTDSA-N 2 2 329.488 3.413 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001267208838 1377431126 /nfs/dbraw/zinc/43/11/26/1377431126.db2.gz YUMHJXPVDOBLFM-IRXDYDNUSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657784 1377464569 /nfs/dbraw/zinc/46/45/69/1377464569.db2.gz FAMUIOSKHGRUIK-RBUKOAKNSA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267657784 1377464574 /nfs/dbraw/zinc/46/45/74/1377464574.db2.gz FAMUIOSKHGRUIK-RBUKOAKNSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327456185 1388524237 /nfs/dbraw/zinc/52/42/37/1388524237.db2.gz YBFPXURMFXXKEW-GOSISDBHSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283174180 1378752977 /nfs/dbraw/zinc/75/29/77/1378752977.db2.gz RAPBJLFUTRPCTO-HNNXBMFYSA-N 2 2 328.460 3.097 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001328080701 1388663432 /nfs/dbraw/zinc/66/34/32/1388663432.db2.gz HRJBJNQXXKNNRF-QGZVFWFLSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001328080701 1388663434 /nfs/dbraw/zinc/66/34/34/1388663434.db2.gz HRJBJNQXXKNNRF-QGZVFWFLSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202143 1384978647 /nfs/dbraw/zinc/97/86/47/1384978647.db2.gz FHKKCAOARLDPRC-MSOLQXFVSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317202143 1384978650 /nfs/dbraw/zinc/97/86/50/1384978650.db2.gz FHKKCAOARLDPRC-MSOLQXFVSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698674353 1406322833 /nfs/dbraw/zinc/32/28/33/1406322833.db2.gz QPHXSCQRCSQNNR-CQSZACIVSA-N 2 2 346.862 3.147 10 30 EGEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479597194 1392284889 /nfs/dbraw/zinc/28/48/89/1392284889.db2.gz FTVYVALLFGXPPX-CEXWTWQISA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001479708597 1392331660 /nfs/dbraw/zinc/33/16/60/1392331660.db2.gz PJEDVENEUZJKRU-SQNIBIBYSA-N 2 2 332.492 3.016 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001479708597 1392331665 /nfs/dbraw/zinc/33/16/65/1392331665.db2.gz PJEDVENEUZJKRU-SQNIBIBYSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190356 1392620024 /nfs/dbraw/zinc/62/00/24/1392620024.db2.gz ZYDASJVSEFCXIQ-RTBURBONSA-N 2 2 346.519 3.166 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190356 1392620029 /nfs/dbraw/zinc/62/00/29/1392620029.db2.gz ZYDASJVSEFCXIQ-RTBURBONSA-N 2 2 346.519 3.166 10 30 EGEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001505397930 1396285763 /nfs/dbraw/zinc/28/57/63/1396285763.db2.gz YMSZLMWRRGNQMM-UHFFFAOYSA-N 2 2 341.499 3.204 10 30 EGEELP CC#CC[N@H+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001505397930 1396285767 /nfs/dbraw/zinc/28/57/67/1396285767.db2.gz YMSZLMWRRGNQMM-UHFFFAOYSA-N 2 2 341.499 3.204 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001496370777 1396673312 /nfs/dbraw/zinc/67/33/12/1396673312.db2.gz VWNQYDBJMLHDSL-WBVHZDCISA-N 2 2 334.508 3.058 10 30 EGEELP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001496429971 1396706014 /nfs/dbraw/zinc/70/60/14/1396706014.db2.gz DVZXVNQQLYYEFL-SJLPKXTDSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001691690224 1405424476 /nfs/dbraw/zinc/42/44/76/1405424476.db2.gz PFONJXZFORQRLW-IAGOWNOFSA-N 2 2 344.503 3.010 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819141 1405535058 /nfs/dbraw/zinc/53/50/58/1405535058.db2.gz QOQTYPGKFQFEGY-DLBZAZTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001691819141 1405535060 /nfs/dbraw/zinc/53/50/60/1405535060.db2.gz QOQTYPGKFQFEGY-DLBZAZTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819141 1405535063 /nfs/dbraw/zinc/53/50/63/1405535063.db2.gz QOQTYPGKFQFEGY-DLBZAZTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001691819141 1405535064 /nfs/dbraw/zinc/53/50/64/1405535064.db2.gz QOQTYPGKFQFEGY-DLBZAZTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001692129491 1405788200 /nfs/dbraw/zinc/78/82/00/1405788200.db2.gz VONITWYXCTYDKZ-ROUUACIJSA-N 2 2 332.492 3.161 10 30 EGEELP C=CCCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001732022649 1428240128 /nfs/dbraw/zinc/24/01/28/1428240128.db2.gz OAEZWUXGGLCGOI-GOSISDBHSA-N 2 2 348.450 3.361 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCC1 ZINC001732391662 1428560775 /nfs/dbraw/zinc/56/07/75/1428560775.db2.gz BVXYMJLOTPCCOY-INIZCTEOSA-N 2 2 346.519 3.300 10 30 EGEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001699939660 1413382886 /nfs/dbraw/zinc/38/28/86/1413382886.db2.gz VRVSUXOALOHBNL-FUHWJXTLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001713683376 1418435996 /nfs/dbraw/zinc/43/59/96/1418435996.db2.gz VTGSNPJMROSJDC-CVEARBPZSA-N 2 2 346.519 3.259 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714069701 1418865983 /nfs/dbraw/zinc/86/59/83/1418865983.db2.gz GLOATGQMWBZTGI-SJLPKXTDSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001715494172 1420175664 /nfs/dbraw/zinc/17/56/64/1420175664.db2.gz FPBTYTXPPZKYNS-CVEARBPZSA-N 2 2 328.460 3.033 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733341639 1429524700 /nfs/dbraw/zinc/52/47/00/1429524700.db2.gz FUDDNYGZEVFKMQ-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001724753201 1425123652 /nfs/dbraw/zinc/12/36/52/1425123652.db2.gz XQDQTQBOIOYCRN-DUQPFJRNSA-N 2 2 344.503 3.133 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001724753201 1425123655 /nfs/dbraw/zinc/12/36/55/1425123655.db2.gz XQDQTQBOIOYCRN-DUQPFJRNSA-N 2 2 344.503 3.133 10 30 EGEELP C=CCCCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001733694148 1429911694 /nfs/dbraw/zinc/91/16/94/1429911694.db2.gz YGFNLOBGGHFEMG-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001733694148 1429911697 /nfs/dbraw/zinc/91/16/97/1429911697.db2.gz YGFNLOBGGHFEMG-UHFFFAOYSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733864283 1437692759 /nfs/dbraw/zinc/69/27/59/1437692759.db2.gz OPZOKTJRDMSCTK-KRWDZBQOSA-N 2 2 332.492 3.017 10 30 EGEELP COc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000302029262 154025243 /nfs/dbraw/zinc/02/52/43/154025243.db2.gz STFOFSKMLMGGLG-HXUWFJFHSA-N 2 2 335.451 3.321 10 30 EGEELP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000302029262 154025248 /nfs/dbraw/zinc/02/52/48/154025248.db2.gz STFOFSKMLMGGLG-HXUWFJFHSA-N 2 2 335.451 3.321 10 30 EGEELP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672755 455223784 /nfs/dbraw/zinc/22/37/84/455223784.db2.gz VMFDKJFXXSWZBS-INIZCTEOSA-N 2 2 332.407 3.474 10 30 EGEELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308196 457565647 /nfs/dbraw/zinc/56/56/47/457565647.db2.gz SONDNFPAHRJWFI-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308196 457565652 /nfs/dbraw/zinc/56/56/52/457565652.db2.gz SONDNFPAHRJWFI-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308196 457565659 /nfs/dbraw/zinc/56/56/59/457565659.db2.gz SONDNFPAHRJWFI-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356308196 457565664 /nfs/dbraw/zinc/56/56/64/457565664.db2.gz SONDNFPAHRJWFI-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#N)cc1F ZINC000358552213 458071280 /nfs/dbraw/zinc/07/12/80/458071280.db2.gz DHZPCJSPECQQIH-OAHLLOKOSA-N 2 2 338.430 3.408 10 30 EGEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903194 458509410 /nfs/dbraw/zinc/50/94/10/458509410.db2.gz JILRLGNRDBZEKZ-CJNGLKHVSA-N 2 2 337.414 3.322 10 30 EGEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903194 458509416 /nfs/dbraw/zinc/50/94/16/458509416.db2.gz JILRLGNRDBZEKZ-CJNGLKHVSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903194 458509422 /nfs/dbraw/zinc/50/94/22/458509422.db2.gz JILRLGNRDBZEKZ-CJNGLKHVSA-N 2 2 337.414 3.322 10 30 EGEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 ZINC000437903194 458509426 /nfs/dbraw/zinc/50/94/26/458509426.db2.gz JILRLGNRDBZEKZ-CJNGLKHVSA-N 2 2 337.414 3.322 10 30 EGEELP N#CCCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000594506263 459066499 /nfs/dbraw/zinc/06/64/99/459066499.db2.gz OHKMEHPYACEJAQ-UXHICEINSA-N 2 2 327.472 3.264 10 30 EGEELP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCSCC3)CC2)c1 ZINC000595046994 459227854 /nfs/dbraw/zinc/22/78/54/459227854.db2.gz POOTYHJOKCXWDV-GOSISDBHSA-N 2 2 329.513 3.398 10 30 EGEELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CC#N)CC1 ZINC000560407440 459339616 /nfs/dbraw/zinc/33/96/16/459339616.db2.gz IDKFZQJQIDDXBC-AWEZNQCLSA-N 2 2 337.427 3.029 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491062019 459595519 /nfs/dbraw/zinc/59/55/19/459595519.db2.gz PRUJMQHMEKSJJX-PMACEKPBSA-N 2 2 349.563 3.388 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491062019 459595525 /nfs/dbraw/zinc/59/55/25/459595525.db2.gz PRUJMQHMEKSJJX-PMACEKPBSA-N 2 2 349.563 3.388 10 30 EGEELP C=CC[C@]1(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662580 461339379 /nfs/dbraw/zinc/33/93/79/461339379.db2.gz HNQHZAQFJSOUBM-RDTXWAMCSA-N 2 2 348.516 3.012 10 30 EGEELP C=CC[C@]1(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662580 461339388 /nfs/dbraw/zinc/33/93/88/461339388.db2.gz HNQHZAQFJSOUBM-RDTXWAMCSA-N 2 2 348.516 3.012 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926982 576520923 /nfs/dbraw/zinc/52/09/23/576520923.db2.gz QMBQBZXCYYEIDL-OAHLLOKOSA-N 2 2 333.863 3.160 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926982 576520926 /nfs/dbraw/zinc/52/09/26/576520926.db2.gz QMBQBZXCYYEIDL-OAHLLOKOSA-N 2 2 333.863 3.160 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524420 1303486937 /nfs/dbraw/zinc/48/69/37/1303486937.db2.gz KKFZWLXKEBZULG-NNWRFLSQSA-N 3 2 339.527 3.280 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524420 1303486939 /nfs/dbraw/zinc/48/69/39/1303486939.db2.gz KKFZWLXKEBZULG-NNWRFLSQSA-N 3 2 339.527 3.280 10 30 EGEELP C[C@H](CC1(C#N)CCOCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112113 1309195414 /nfs/dbraw/zinc/19/54/14/1309195414.db2.gz LYOUJPQJVWPNAW-KZNAEPCWSA-N 2 2 342.487 3.257 10 30 EGEELP CN(C)c1ccc(C#N)cc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895115928 1309198110 /nfs/dbraw/zinc/19/81/10/1309198110.db2.gz PUXHJJISZUSBEH-WGSAOQKQSA-N 2 2 349.482 3.296 10 30 EGEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288894 1329086728 /nfs/dbraw/zinc/08/67/28/1329086728.db2.gz POXXDPXWCNZKHY-UHFFFAOYSA-N 2 2 341.499 3.174 10 30 EGEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288894 1329086731 /nfs/dbraw/zinc/08/67/31/1329086731.db2.gz POXXDPXWCNZKHY-UHFFFAOYSA-N 2 2 341.499 3.174 10 30 EGEELP CCCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001283309884 1378797115 /nfs/dbraw/zinc/79/71/15/1378797115.db2.gz APDSOIRFOQZYFH-QZTJIDSGSA-N 2 2 346.519 3.406 10 30 EGEELP CCCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001283309884 1378797116 /nfs/dbraw/zinc/79/71/16/1378797116.db2.gz APDSOIRFOQZYFH-QZTJIDSGSA-N 2 2 346.519 3.406 10 30 EGEELP CCCCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001283309884 1378797119 /nfs/dbraw/zinc/79/71/19/1378797119.db2.gz APDSOIRFOQZYFH-QZTJIDSGSA-N 2 2 346.519 3.406 10 30 EGEELP CCCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001283309884 1378797122 /nfs/dbraw/zinc/79/71/22/1378797122.db2.gz APDSOIRFOQZYFH-QZTJIDSGSA-N 2 2 346.519 3.406 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106082 1384870131 /nfs/dbraw/zinc/87/01/31/1384870131.db2.gz QXCWLJHMXLUJPA-ZWKOTPCHSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106082 1384870134 /nfs/dbraw/zinc/87/01/34/1384870134.db2.gz QXCWLJHMXLUJPA-ZWKOTPCHSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761364 1385451479 /nfs/dbraw/zinc/45/14/79/1385451479.db2.gz KRWATSWLNGFKNE-QGZVFWFLSA-N 2 2 340.471 3.456 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761364 1385451481 /nfs/dbraw/zinc/45/14/81/1385451481.db2.gz KRWATSWLNGFKNE-QGZVFWFLSA-N 2 2 340.471 3.456 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319852456 1386335419 /nfs/dbraw/zinc/33/54/19/1386335419.db2.gz FXUWABBUWLWONA-SJLPKXTDSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[NH2+]C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@@H]1C ZINC001698660898 1406311866 /nfs/dbraw/zinc/31/18/66/1406311866.db2.gz NPMZBOWDPPYWPU-YWZLYKJASA-N 2 2 340.471 3.407 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001332386561 1390102474 /nfs/dbraw/zinc/10/24/74/1390102474.db2.gz GBTKMNLUFWDAJU-KBXCAEBGSA-N 2 2 340.471 3.358 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480693846 1392857997 /nfs/dbraw/zinc/85/79/97/1392857997.db2.gz VLONYQRNEPSESH-QZTJIDSGSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481407761 1394262362 /nfs/dbraw/zinc/26/23/62/1394262362.db2.gz GUCCTASEVLDVRR-ROUUACIJSA-N 2 2 332.492 3.113 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481407761 1394262372 /nfs/dbraw/zinc/26/23/72/1394262372.db2.gz GUCCTASEVLDVRR-ROUUACIJSA-N 2 2 332.492 3.113 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481407762 1394263601 /nfs/dbraw/zinc/26/36/01/1394263601.db2.gz GUCCTASEVLDVRR-ZWKOTPCHSA-N 2 2 332.492 3.113 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481407762 1394263610 /nfs/dbraw/zinc/26/36/10/1394263610.db2.gz GUCCTASEVLDVRR-ZWKOTPCHSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001496342428 1396657013 /nfs/dbraw/zinc/65/70/13/1396657013.db2.gz OOIIBZMSSASQQT-QAPCUYQASA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001689264999 1396996390 /nfs/dbraw/zinc/99/63/90/1396996390.db2.gz LULONVROCDITOE-GOSISDBHSA-N 2 2 346.519 3.254 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498478795 1397026039 /nfs/dbraw/zinc/02/60/39/1397026039.db2.gz BWSAXIFJBQGPDE-QZTJIDSGSA-N 2 2 340.471 3.097 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001691482848 1405296204 /nfs/dbraw/zinc/29/62/04/1405296204.db2.gz XMRPZDMCMONYQK-RCCFBDPRSA-N 2 2 332.492 3.016 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001691482848 1405296207 /nfs/dbraw/zinc/29/62/07/1405296207.db2.gz XMRPZDMCMONYQK-RCCFBDPRSA-N 2 2 332.492 3.016 10 30 EGEELP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001692126169 1405786409 /nfs/dbraw/zinc/78/64/09/1405786409.db2.gz UCHOJRXMZOVBFG-VQIMIIECSA-N 2 2 346.519 3.224 10 30 EGEELP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001732404284 1428568421 /nfs/dbraw/zinc/56/84/21/1428568421.db2.gz ZWUYBMGVWNEHQL-ZWKOTPCHSA-N 2 2 344.503 3.113 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001700316848 1413776060 /nfs/dbraw/zinc/77/60/60/1413776060.db2.gz ZMIDHZYBRJSMCO-HOCLYGCPSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001700316848 1413776063 /nfs/dbraw/zinc/77/60/63/1413776063.db2.gz ZMIDHZYBRJSMCO-HOCLYGCPSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700435666 1414001606 /nfs/dbraw/zinc/00/16/06/1414001606.db2.gz SOBFTNBRRZSVSF-WWDZGPRUSA-N 2 2 332.492 3.160 10 30 EGEELP CCCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700842206 1414491736 /nfs/dbraw/zinc/49/17/36/1414491736.db2.gz NRZLCQGJXFXKSO-IAGOWNOFSA-N 2 2 342.487 3.497 10 30 EGEELP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733075588 1429230487 /nfs/dbraw/zinc/23/04/87/1429230487.db2.gz VTJMWOVNJPHDAW-ZWKOTPCHSA-N 2 2 340.471 3.097 10 30 EGEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C(C)C)cc1 ZINC001714832873 1419543349 /nfs/dbraw/zinc/54/33/49/1419543349.db2.gz BQBSATJPBIRGEQ-IBGZPJMESA-N 2 2 340.471 3.099 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001716752009 1420903571 /nfs/dbraw/zinc/90/35/71/1420903571.db2.gz HKSAFHRQFDNGDH-YLJYHZDGSA-N 2 2 343.515 3.177 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716752009 1420903574 /nfs/dbraw/zinc/90/35/74/1420903574.db2.gz HKSAFHRQFDNGDH-YLJYHZDGSA-N 2 2 343.515 3.177 10 30 EGEELP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC001717581293 1421507666 /nfs/dbraw/zinc/50/76/66/1421507666.db2.gz MBKFJGMLQUYFQP-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC001717581293 1421507667 /nfs/dbraw/zinc/50/76/67/1421507667.db2.gz MBKFJGMLQUYFQP-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001717795089 1421626370 /nfs/dbraw/zinc/62/63/70/1421626370.db2.gz DNUZMEWDMGAGKA-APWZRJJASA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001717962163 1421733514 /nfs/dbraw/zinc/73/35/14/1421733514.db2.gz ZCFNOEHFCGATPT-WBVHZDCISA-N 2 2 342.487 3.423 10 30 EGEELP C=CCCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001717984325 1421756772 /nfs/dbraw/zinc/75/67/72/1421756772.db2.gz YUABGHVSGJMZDN-KRWDZBQOSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001731996754 1428205969 /nfs/dbraw/zinc/20/59/69/1428205969.db2.gz BFQCNPNTJSEFFL-MRXNPFEDSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879790 1437706576 /nfs/dbraw/zinc/70/65/76/1437706576.db2.gz VBTYXMWGGREXBH-ZWKOTPCHSA-N 2 2 346.519 3.235 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879790 1437706577 /nfs/dbraw/zinc/70/65/77/1437706577.db2.gz VBTYXMWGGREXBH-ZWKOTPCHSA-N 2 2 346.519 3.235 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001734013765 1437804952 /nfs/dbraw/zinc/80/49/52/1437804952.db2.gz RZONJWCZGIUXPM-GTPINHCMSA-N 2 2 346.519 3.401 10 30 EGEELP C=CC[NH2+]CCC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001734284942 1438012621 /nfs/dbraw/zinc/01/26/21/1438012621.db2.gz MIDCRAIJFXYXRR-SFHVURJKSA-N 2 2 348.450 3.361 10 30 EGEELP COc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000302029259 154025757 /nfs/dbraw/zinc/02/57/57/154025757.db2.gz STFOFSKMLMGGLG-FQEVSTJZSA-N 2 2 335.451 3.321 10 30 EGEELP COc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000302029259 154025762 /nfs/dbraw/zinc/02/57/62/154025762.db2.gz STFOFSKMLMGGLG-FQEVSTJZSA-N 2 2 335.451 3.321 10 30 EGEELP N#Cc1ccc(Br)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000365197529 168033383 /nfs/dbraw/zinc/03/33/83/168033383.db2.gz CMOZAUWMGQIWDI-UHFFFAOYSA-N 2 2 345.244 3.423 10 30 EGEELP N#Cc1ccc(Br)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000365197529 168033384 /nfs/dbraw/zinc/03/33/84/168033384.db2.gz CMOZAUWMGQIWDI-UHFFFAOYSA-N 2 2 345.244 3.423 10 30 EGEELP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169460 455693568 /nfs/dbraw/zinc/69/35/68/455693568.db2.gz ULBKZORHEBWVHD-FUHWJXTLSA-N 2 2 336.401 3.473 10 30 EGEELP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169460 455693574 /nfs/dbraw/zinc/69/35/74/455693574.db2.gz ULBKZORHEBWVHD-FUHWJXTLSA-N 2 2 336.401 3.473 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169460 455693579 /nfs/dbraw/zinc/69/35/79/455693579.db2.gz ULBKZORHEBWVHD-FUHWJXTLSA-N 2 2 336.401 3.473 10 30 EGEELP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000248169460 455693583 /nfs/dbraw/zinc/69/35/83/455693583.db2.gz ULBKZORHEBWVHD-FUHWJXTLSA-N 2 2 336.401 3.473 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248603842 455722363 /nfs/dbraw/zinc/72/23/63/455722363.db2.gz BPMMTORJQYMWAV-DFQSSKMNSA-N 2 2 349.563 3.384 10 30 EGEELP C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248603842 455722366 /nfs/dbraw/zinc/72/23/66/455722366.db2.gz BPMMTORJQYMWAV-DFQSSKMNSA-N 2 2 349.563 3.384 10 30 EGEELP C[N@@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969905 455768561 /nfs/dbraw/zinc/76/85/61/455768561.db2.gz MGFUBAQJFPGMOH-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[N@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969905 455768566 /nfs/dbraw/zinc/76/85/66/455768566.db2.gz MGFUBAQJFPGMOH-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CCC[C@]2(CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969905 455768568 /nfs/dbraw/zinc/76/85/68/455768568.db2.gz MGFUBAQJFPGMOH-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CCC[C@]2(CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969905 455768572 /nfs/dbraw/zinc/76/85/72/455768572.db2.gz MGFUBAQJFPGMOH-SFHVURJKSA-N 2 2 336.401 3.475 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271319 455939516 /nfs/dbraw/zinc/93/95/16/455939516.db2.gz KEOBYEWCVZKTEA-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271319 455939522 /nfs/dbraw/zinc/93/95/22/455939522.db2.gz KEOBYEWCVZKTEA-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195271319 455939529 /nfs/dbraw/zinc/93/95/29/455939529.db2.gz KEOBYEWCVZKTEA-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195271319 455939533 /nfs/dbraw/zinc/93/95/33/455939533.db2.gz KEOBYEWCVZKTEA-FXAWDEMLSA-N 2 2 334.467 3.468 10 30 EGEELP C[N@@H+]1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000289357898 456123500 /nfs/dbraw/zinc/12/35/00/456123500.db2.gz IIOZCJBRDZEFDP-OALUTQOASA-N 2 2 327.472 3.122 10 30 EGEELP C[N@H+]1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000289357898 456123503 /nfs/dbraw/zinc/12/35/03/456123503.db2.gz IIOZCJBRDZEFDP-OALUTQOASA-N 2 2 327.472 3.122 10 30 EGEELP C[N@@H+]1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000289357900 456123592 /nfs/dbraw/zinc/12/35/92/456123592.db2.gz IIOZCJBRDZEFDP-RBUKOAKNSA-N 2 2 327.472 3.122 10 30 EGEELP C[N@H+]1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000289357900 456123598 /nfs/dbraw/zinc/12/35/98/456123598.db2.gz IIOZCJBRDZEFDP-RBUKOAKNSA-N 2 2 327.472 3.122 10 30 EGEELP C[C@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000352838074 456353614 /nfs/dbraw/zinc/35/36/14/456353614.db2.gz PIZFRFWJTPZBKR-HOCLYGCPSA-N 2 2 326.469 3.157 10 30 EGEELP C[C@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000352838074 456353619 /nfs/dbraw/zinc/35/36/19/456353619.db2.gz PIZFRFWJTPZBKR-HOCLYGCPSA-N 2 2 326.469 3.157 10 30 EGEELP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000594956853 459191690 /nfs/dbraw/zinc/19/16/90/459191690.db2.gz VLADYEKICVEDEJ-QGZVFWFLSA-N 2 2 334.467 3.311 10 30 EGEELP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000594982595 459205536 /nfs/dbraw/zinc/20/55/36/459205536.db2.gz AXRHWSSJXGMIOA-UZLBHIALSA-N 2 2 327.472 3.070 10 30 EGEELP Cc1cccn2c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)c[nH+]c12 ZINC000594982348 459205650 /nfs/dbraw/zinc/20/56/50/459205650.db2.gz FGQIZJRNYOCBQE-UHFFFAOYSA-N 2 2 346.434 3.310 10 30 EGEELP CC1(C)[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000594992802 459208930 /nfs/dbraw/zinc/20/89/30/459208930.db2.gz YDBSTHBHJGNHEV-QGZVFWFLSA-N 2 2 333.426 3.404 10 30 EGEELP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000592374377 459583238 /nfs/dbraw/zinc/58/32/38/459583238.db2.gz CWISQNAOCXCWHX-BGYRXZFFSA-N 2 2 341.499 3.458 10 30 EGEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059207 459596419 /nfs/dbraw/zinc/59/64/19/459596419.db2.gz RSZQMFVLJCGNOU-VQTJNVASSA-N 2 2 347.547 3.164 10 30 EGEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059207 459596425 /nfs/dbraw/zinc/59/64/25/459596425.db2.gz RSZQMFVLJCGNOU-VQTJNVASSA-N 2 2 347.547 3.164 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993892 460275007 /nfs/dbraw/zinc/27/50/07/460275007.db2.gz GVMGSPZICBIQJH-RBBKRZOGSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993892 460275010 /nfs/dbraw/zinc/27/50/10/460275010.db2.gz GVMGSPZICBIQJH-RBBKRZOGSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993892 460275016 /nfs/dbraw/zinc/27/50/16/460275016.db2.gz GVMGSPZICBIQJH-RBBKRZOGSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993892 460275020 /nfs/dbraw/zinc/27/50/20/460275020.db2.gz GVMGSPZICBIQJH-RBBKRZOGSA-N 2 2 346.478 3.440 10 30 EGEELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743862504 576817293 /nfs/dbraw/zinc/81/72/93/576817293.db2.gz HRUVBYNCTDMYKN-OAHLLOKOSA-N 2 2 335.879 3.406 10 30 EGEELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743862504 576817294 /nfs/dbraw/zinc/81/72/94/576817294.db2.gz HRUVBYNCTDMYKN-OAHLLOKOSA-N 2 2 335.879 3.406 10 30 EGEELP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000169791422 1294372803 /nfs/dbraw/zinc/37/28/03/1294372803.db2.gz AJUCNOQZSIEGKI-LJQANCHMSA-N 2 2 338.455 3.089 10 30 EGEELP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000169791422 1294372809 /nfs/dbraw/zinc/37/28/09/1294372809.db2.gz AJUCNOQZSIEGKI-LJQANCHMSA-N 2 2 338.455 3.089 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000924983242 1323236588 /nfs/dbraw/zinc/23/65/88/1323236588.db2.gz CJFBLOJTYIQDKJ-KRWDZBQOSA-N 2 2 349.519 3.159 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323265252 1387320400 /nfs/dbraw/zinc/32/04/00/1387320400.db2.gz ZWCIFSKSONHMGQ-INIZCTEOSA-N 2 2 328.460 3.337 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323265252 1387320403 /nfs/dbraw/zinc/32/04/03/1387320403.db2.gz ZWCIFSKSONHMGQ-INIZCTEOSA-N 2 2 328.460 3.337 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001263900513 1377138259 /nfs/dbraw/zinc/13/82/59/1377138259.db2.gz JIRGEMSUTOXABH-FUHWJXTLSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCCC[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001284535884 1379942233 /nfs/dbraw/zinc/94/22/33/1379942233.db2.gz BVLSQSMUPFTCFN-UHFFFAOYSA-N 2 2 328.460 3.312 10 30 EGEELP C=CCCC[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001284535884 1379942234 /nfs/dbraw/zinc/94/22/34/1379942234.db2.gz BVLSQSMUPFTCFN-UHFFFAOYSA-N 2 2 328.460 3.312 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328102747 1388674372 /nfs/dbraw/zinc/67/43/72/1388674372.db2.gz OROKBOXPFCATLO-QGZVFWFLSA-N 2 2 334.508 3.139 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001328102747 1388674376 /nfs/dbraw/zinc/67/43/76/1388674376.db2.gz OROKBOXPFCATLO-QGZVFWFLSA-N 2 2 334.508 3.139 10 30 EGEELP C=CCCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001319350796 1386072531 /nfs/dbraw/zinc/07/25/31/1386072531.db2.gz ADKSIJDTTYZZRZ-UHFFFAOYSA-N 2 2 340.471 3.241 10 30 EGEELP C=CCC[NH2+]C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@@H]1C ZINC001698660896 1406311881 /nfs/dbraw/zinc/31/18/81/1406311881.db2.gz NPMZBOWDPPYWPU-MGPUTAFESA-N 2 2 340.471 3.407 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190353 1392619872 /nfs/dbraw/zinc/61/98/72/1392619872.db2.gz ZYDASJVSEFCXIQ-MOPGFXCFSA-N 2 2 346.519 3.166 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190353 1392619873 /nfs/dbraw/zinc/61/98/73/1392619873.db2.gz ZYDASJVSEFCXIQ-MOPGFXCFSA-N 2 2 346.519 3.166 10 30 EGEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481333826 1393165930 /nfs/dbraw/zinc/16/59/30/1393165930.db2.gz GTHNCHCBDQHGJQ-IEBWSBKVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001690160960 1404359120 /nfs/dbraw/zinc/35/91/20/1404359120.db2.gz SBFKORVYXRGPDJ-KSSFIOAISA-N 2 2 329.488 3.460 10 30 EGEELP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690280911 1404443801 /nfs/dbraw/zinc/44/38/01/1404443801.db2.gz PIUNKIGIVDUYDN-WKILWMFISA-N 2 2 328.460 3.384 10 30 EGEELP CC#CC[NH2+]CCCCCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001691454194 1405278456 /nfs/dbraw/zinc/27/84/56/1405278456.db2.gz AISJNMORSKQWKF-UHFFFAOYSA-N 2 2 329.488 3.252 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691647279 1405380185 /nfs/dbraw/zinc/38/01/85/1405380185.db2.gz ZHADHCCGLSNUKX-KRWDZBQOSA-N 2 2 340.471 3.456 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691647279 1405380190 /nfs/dbraw/zinc/38/01/90/1405380190.db2.gz ZHADHCCGLSNUKX-KRWDZBQOSA-N 2 2 340.471 3.456 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001699684197 1413080903 /nfs/dbraw/zinc/08/09/03/1413080903.db2.gz PMIKHRABSDVUBI-QYZOEREBSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001699684197 1413080908 /nfs/dbraw/zinc/08/09/08/1413080908.db2.gz PMIKHRABSDVUBI-QYZOEREBSA-N 2 2 344.503 3.112 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001700098087 1413514912 /nfs/dbraw/zinc/51/49/12/1413514912.db2.gz RVNIXDRYENUGHJ-SAABIXHNSA-N 2 2 340.471 3.097 10 30 EGEELP C=C(C)CC[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001700511966 1414161016 /nfs/dbraw/zinc/16/10/16/1414161016.db2.gz LFANFKRAISACMN-UHFFFAOYSA-N 2 2 345.487 3.008 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700696922 1414355295 /nfs/dbraw/zinc/35/52/95/1414355295.db2.gz QABKUUFMJJPZOB-IRXDYDNUSA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700696922 1414355298 /nfs/dbraw/zinc/35/52/98/1414355298.db2.gz QABKUUFMJJPZOB-IRXDYDNUSA-N 2 2 332.492 3.112 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001733178444 1429280374 /nfs/dbraw/zinc/28/03/74/1429280374.db2.gz RGSBSRUIVOWXDK-KBXCAEBGSA-N 2 2 329.488 3.460 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131122 1418934606 /nfs/dbraw/zinc/93/46/06/1418934606.db2.gz CYOQNPITZQBCMD-IAGOWNOFSA-N 2 2 340.471 3.273 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012842 1419741807 /nfs/dbraw/zinc/74/18/07/1419741807.db2.gz IFGSCSBFPBEZIH-QAPCUYQASA-N 2 2 340.471 3.144 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012842 1419741809 /nfs/dbraw/zinc/74/18/09/1419741809.db2.gz IFGSCSBFPBEZIH-QAPCUYQASA-N 2 2 340.471 3.144 10 30 EGEELP C=C(C)CCC(=O)NCC1([NH2+]CC)CC[NH+](Cc2ccccc2)CC1 ZINC001717986030 1421758700 /nfs/dbraw/zinc/75/87/00/1421758700.db2.gz ZBPSKUACVUNDAH-UHFFFAOYSA-N 2 2 343.515 3.103 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001733328183 1429513181 /nfs/dbraw/zinc/51/31/81/1429513181.db2.gz PSIPDLRTJCQSIO-GDBMZVCRSA-N 2 2 326.444 3.112 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001723429592 1424397791 /nfs/dbraw/zinc/39/77/91/1424397791.db2.gz MWMDQTLSZITEBJ-GOSISDBHSA-N 2 2 342.487 3.417 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001723429592 1424397798 /nfs/dbraw/zinc/39/77/98/1424397798.db2.gz MWMDQTLSZITEBJ-GOSISDBHSA-N 2 2 342.487 3.417 10 30 EGEELP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001724651976 1425013119 /nfs/dbraw/zinc/01/31/19/1425013119.db2.gz NIEADLBVRSOCEX-IPMKNSEASA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001724651976 1425013128 /nfs/dbraw/zinc/01/31/28/1425013128.db2.gz NIEADLBVRSOCEX-IPMKNSEASA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725237948 1425830173 /nfs/dbraw/zinc/83/01/73/1425830173.db2.gz RTLRLFDYFDRRAK-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001725237948 1425830178 /nfs/dbraw/zinc/83/01/78/1425830178.db2.gz RTLRLFDYFDRRAK-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733765267 1429985985 /nfs/dbraw/zinc/98/59/85/1429985985.db2.gz RQFMXWLKFVGCLX-INIZCTEOSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733765267 1429985988 /nfs/dbraw/zinc/98/59/88/1429985988.db2.gz RQFMXWLKFVGCLX-INIZCTEOSA-N 2 2 326.444 3.113 10 30 EGEELP C=C(C)C[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001734547963 1438143642 /nfs/dbraw/zinc/14/36/42/1438143642.db2.gz QEOROVBWGFFIEC-UHFFFAOYSA-N 2 2 328.460 3.001 10 30 EGEELP C=C(C)C[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001734547963 1438143644 /nfs/dbraw/zinc/14/36/44/1438143644.db2.gz QEOROVBWGFFIEC-UHFFFAOYSA-N 2 2 328.460 3.001 10 30 EGEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000171522119 144005755 /nfs/dbraw/zinc/00/57/55/144005755.db2.gz IAMUUTRNXRTNLS-SFHVURJKSA-N 2 2 338.455 3.423 10 30 EGEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000171522119 144005757 /nfs/dbraw/zinc/00/57/57/144005757.db2.gz IAMUUTRNXRTNLS-SFHVURJKSA-N 2 2 338.455 3.423 10 30 EGEELP C[C@H]([NH2+]CCOc1ccccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180665337 162757021 /nfs/dbraw/zinc/75/70/21/162757021.db2.gz MPPWTBLBPGDFOE-INIZCTEOSA-N 2 2 332.407 3.474 10 30 EGEELP Cc1ccc2[nH+]cc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)n2c1 ZINC000527809602 268049071 /nfs/dbraw/zinc/04/90/71/268049071.db2.gz LAYSMUHOJNYNHF-UHFFFAOYSA-N 2 2 346.434 3.310 10 30 EGEELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(OCC#N)cc1 ZINC000181474880 455339381 /nfs/dbraw/zinc/33/93/81/455339381.db2.gz OOBKNJODVMGQRF-HNNXBMFYSA-N 2 2 333.395 3.020 10 30 EGEELP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969902 455768400 /nfs/dbraw/zinc/76/84/00/455768400.db2.gz MGFUBAQJFPGMOH-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP C[N@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969902 455768402 /nfs/dbraw/zinc/76/84/02/455768402.db2.gz MGFUBAQJFPGMOH-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CCC[C@@]2(CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969902 455768404 /nfs/dbraw/zinc/76/84/04/455768404.db2.gz MGFUBAQJFPGMOH-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292969902 455768406 /nfs/dbraw/zinc/76/84/06/455768406.db2.gz MGFUBAQJFPGMOH-GOSISDBHSA-N 2 2 336.401 3.475 10 30 EGEELP COc1cc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)ccc1C#N ZINC000353231752 456575307 /nfs/dbraw/zinc/57/53/07/456575307.db2.gz VEDFHHMFQDTFRT-UHFFFAOYSA-N 2 2 332.407 3.351 10 30 EGEELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840968 457378445 /nfs/dbraw/zinc/37/84/45/457378445.db2.gz PUKYKNDNGMAHIN-AZUAARDMSA-N 2 2 327.472 3.026 10 30 EGEELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840968 457378453 /nfs/dbraw/zinc/37/84/53/457378453.db2.gz PUKYKNDNGMAHIN-AZUAARDMSA-N 2 2 327.472 3.026 10 30 EGEELP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000376029272 458169053 /nfs/dbraw/zinc/16/90/53/458169053.db2.gz NIKQCKRCZHNXCT-UHFFFAOYSA-N 2 2 349.482 3.065 10 30 EGEELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770360 458589384 /nfs/dbraw/zinc/58/93/84/458589384.db2.gz UOEMWDLNSJEMLS-FXAWDEMLSA-N 2 2 348.918 3.418 10 30 EGEELP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770360 458589388 /nfs/dbraw/zinc/58/93/88/458589388.db2.gz UOEMWDLNSJEMLS-FXAWDEMLSA-N 2 2 348.918 3.418 10 30 EGEELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111314 459247649 /nfs/dbraw/zinc/24/76/49/459247649.db2.gz OXWDGCYKQUBBGF-AVRDEDQJSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111314 459247654 /nfs/dbraw/zinc/24/76/54/459247654.db2.gz OXWDGCYKQUBBGF-AVRDEDQJSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000610994654 460274812 /nfs/dbraw/zinc/27/48/12/460274812.db2.gz LMTOXUZLWFXCKO-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000610994654 460274817 /nfs/dbraw/zinc/27/48/17/460274817.db2.gz LMTOXUZLWFXCKO-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994654 460274821 /nfs/dbraw/zinc/27/48/21/460274821.db2.gz LMTOXUZLWFXCKO-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000610994654 460274826 /nfs/dbraw/zinc/27/48/26/460274826.db2.gz LMTOXUZLWFXCKO-UTKZUKDTSA-N 2 2 334.467 3.438 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993894 460275050 /nfs/dbraw/zinc/27/50/50/460275050.db2.gz GVMGSPZICBIQJH-UNMCSNQZSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccn1 ZINC000610993894 460275054 /nfs/dbraw/zinc/27/50/54/460275054.db2.gz GVMGSPZICBIQJH-UNMCSNQZSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993894 460275058 /nfs/dbraw/zinc/27/50/58/460275058.db2.gz GVMGSPZICBIQJH-UNMCSNQZSA-N 2 2 346.478 3.440 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000610993894 460275062 /nfs/dbraw/zinc/27/50/62/460275062.db2.gz GVMGSPZICBIQJH-UNMCSNQZSA-N 2 2 346.478 3.440 10 30 EGEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601965831 460966187 /nfs/dbraw/zinc/96/61/87/460966187.db2.gz ABUCOJKURNLUKU-UXHICEINSA-N 2 2 343.515 3.322 10 30 EGEELP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601965831 460966199 /nfs/dbraw/zinc/96/61/99/460966199.db2.gz ABUCOJKURNLUKU-UXHICEINSA-N 2 2 343.515 3.322 10 30 EGEELP C=CC[C@]1(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662577 461339963 /nfs/dbraw/zinc/33/99/63/461339963.db2.gz HNQHZAQFJSOUBM-KBXCAEBGSA-N 2 2 348.516 3.012 10 30 EGEELP C=CC[C@]1(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCC[NH2+]1 ZINC000662662577 461339968 /nfs/dbraw/zinc/33/99/68/461339968.db2.gz HNQHZAQFJSOUBM-KBXCAEBGSA-N 2 2 348.516 3.012 10 30 EGEELP C=CC[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001171847071 1384660284 /nfs/dbraw/zinc/66/02/84/1384660284.db2.gz IIZHGFGAJDAZOH-FQEVSTJZSA-N 2 2 327.516 3.487 10 30 EGEELP C=CC[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001171847071 1384660286 /nfs/dbraw/zinc/66/02/86/1384660286.db2.gz IIZHGFGAJDAZOH-FQEVSTJZSA-N 2 2 327.516 3.487 10 30 EGEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001317687243 1385398164 /nfs/dbraw/zinc/39/81/64/1385398164.db2.gz RINSLFHFRMSCJP-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761094 1385450479 /nfs/dbraw/zinc/45/04/79/1385450479.db2.gz FAELWABLJACUCA-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761094 1385450480 /nfs/dbraw/zinc/45/04/80/1385450480.db2.gz FAELWABLJACUCA-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCC[NH2+]CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001318885005 1385870595 /nfs/dbraw/zinc/87/05/95/1385870595.db2.gz GISBQJDLZWSGJJ-UHFFFAOYSA-N 2 2 340.471 3.051 10 30 EGEELP C=C(C)CC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001319352735 1386075682 /nfs/dbraw/zinc/07/56/82/1386075682.db2.gz ZLWOBGCGGKWMSL-UHFFFAOYSA-N 2 2 340.471 3.241 10 30 EGEELP Cc1csc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2nc(C)cs2)n1 ZINC001345228704 1390850393 /nfs/dbraw/zinc/85/03/93/1390850393.db2.gz HLCREOQBRILIFD-ZIAGYGMSSA-N 2 2 334.514 3.221 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699008772 1406833592 /nfs/dbraw/zinc/83/35/92/1406833592.db2.gz KLYJLVXRZNUWBT-MJGOQNOKSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699008772 1406833596 /nfs/dbraw/zinc/83/35/96/1406833596.db2.gz KLYJLVXRZNUWBT-MJGOQNOKSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699008772 1406833602 /nfs/dbraw/zinc/83/36/02/1406833602.db2.gz KLYJLVXRZNUWBT-MJGOQNOKSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699008772 1406833605 /nfs/dbraw/zinc/83/36/05/1406833605.db2.gz KLYJLVXRZNUWBT-MJGOQNOKSA-N 2 2 346.519 3.236 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001689228007 1396982430 /nfs/dbraw/zinc/98/24/30/1396982430.db2.gz GGDVFVGTFDUSLB-MOPGFXCFSA-N 2 2 346.519 3.024 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001689228007 1396982436 /nfs/dbraw/zinc/98/24/36/1396982436.db2.gz GGDVFVGTFDUSLB-MOPGFXCFSA-N 2 2 346.519 3.024 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690707739 1404694545 /nfs/dbraw/zinc/69/45/45/1404694545.db2.gz CCKXZWFLWYRHPV-WBVHZDCISA-N 2 2 340.471 3.049 10 30 EGEELP C=CC[NH2+]CCc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001690796989 1404739025 /nfs/dbraw/zinc/73/90/25/1404739025.db2.gz NSWJHPIBZGZEOO-UHFFFAOYSA-N 2 2 337.467 3.255 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001712996560 1417548101 /nfs/dbraw/zinc/54/81/01/1417548101.db2.gz MMSRWWKTSIKGGE-WMZOPIPTSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001714214364 1419012996 /nfs/dbraw/zinc/01/29/96/1419012996.db2.gz NDFSLCMTDCNAMT-RTBURBONSA-N 2 2 346.519 3.265 10 30 EGEELP C=CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001714973807 1419708780 /nfs/dbraw/zinc/70/87/80/1419708780.db2.gz AAHBKMUJHIZLNA-SFHVURJKSA-N 2 2 329.488 3.461 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715033913 1419767490 /nfs/dbraw/zinc/76/74/90/1419767490.db2.gz VDHCIUXLNQVEJD-MRXNPFEDSA-N 2 2 334.508 3.190 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715033913 1419767493 /nfs/dbraw/zinc/76/74/93/1419767493.db2.gz VDHCIUXLNQVEJD-MRXNPFEDSA-N 2 2 334.508 3.190 10 30 EGEELP C=C(C)CC[NH2+][C@H](CCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001717720389 1421588808 /nfs/dbraw/zinc/58/88/08/1421588808.db2.gz IYLNDYIFGWLPTB-MRXNPFEDSA-N 2 2 328.460 3.035 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001724943666 1425328862 /nfs/dbraw/zinc/32/88/62/1425328862.db2.gz GDEYSCGCECUNOJ-CVEARBPZSA-N 2 2 334.508 3.094 10 30 EGEELP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725763154 1426444217 /nfs/dbraw/zinc/44/42/17/1426444217.db2.gz MPAWQIHTRURILW-MJGOQNOKSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761650 1429977001 /nfs/dbraw/zinc/97/70/01/1429977001.db2.gz XBNBCVAXDXTPFU-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761650 1429977002 /nfs/dbraw/zinc/97/70/02/1429977002.db2.gz XBNBCVAXDXTPFU-RTBURBONSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001734456014 1438113450 /nfs/dbraw/zinc/11/34/50/1438113450.db2.gz WUBASXNHSVBRNL-FUHWJXTLSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001734456014 1438113451 /nfs/dbraw/zinc/11/34/51/1438113451.db2.gz WUBASXNHSVBRNL-FUHWJXTLSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001734614651 1438187624 /nfs/dbraw/zinc/18/76/24/1438187624.db2.gz XAQPHHIREJYIFN-OAHLLOKOSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001750926733 1440111348 /nfs/dbraw/zinc/11/13/48/1440111348.db2.gz BTXAURGHPXFBJL-KRWDZBQOSA-N 2 2 340.471 3.227 10 30 EGEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001750926733 1440111349 /nfs/dbraw/zinc/11/13/49/1440111349.db2.gz BTXAURGHPXFBJL-KRWDZBQOSA-N 2 2 340.471 3.227 10 30 EGEELP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629023 258030254 /nfs/dbraw/zinc/03/02/54/258030254.db2.gz HUCYPBJQSHEVBP-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629023 258030256 /nfs/dbraw/zinc/03/02/56/258030256.db2.gz HUCYPBJQSHEVBP-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629023 258030257 /nfs/dbraw/zinc/03/02/57/258030257.db2.gz HUCYPBJQSHEVBP-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328629023 258030258 /nfs/dbraw/zinc/03/02/58/258030258.db2.gz HUCYPBJQSHEVBP-PXNSSMCTSA-N 2 2 338.430 3.217 10 30 EGEELP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000187860357 144165561 /nfs/dbraw/zinc/16/55/61/144165561.db2.gz POHNLDZPFHYTOC-LJQANCHMSA-N 2 2 327.472 3.070 10 30 EGEELP CCCc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000449611985 267043034 /nfs/dbraw/zinc/04/30/34/267043034.db2.gz IYSALWOSSIWKNN-UHFFFAOYSA-N 2 2 338.455 3.253 10 30 EGEELP Cc1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c(C#N)c(C)[nH+]1 ZINC000301811777 267348668 /nfs/dbraw/zinc/34/86/68/267348668.db2.gz ZSCICFVUPDAYJD-ZDUSSCGKSA-N 2 2 326.469 3.490 10 30 EGEELP Cc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)c(C#N)c(C)[nH+]1 ZINC000301811777 267348671 /nfs/dbraw/zinc/34/86/71/267348671.db2.gz ZSCICFVUPDAYJD-ZDUSSCGKSA-N 2 2 326.469 3.490 10 30 EGEELP C#CCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000156234460 455096246 /nfs/dbraw/zinc/09/62/46/455096246.db2.gz KAHKAYNZYJRFDQ-KRWDZBQOSA-N 2 2 335.451 3.413 10 30 EGEELP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000346701229 457118840 /nfs/dbraw/zinc/11/88/40/457118840.db2.gz RQVKVQPZINOTTF-YLJYHZDGSA-N 2 2 335.451 3.190 10 30 EGEELP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000346701229 457118845 /nfs/dbraw/zinc/11/88/45/457118845.db2.gz RQVKVQPZINOTTF-YLJYHZDGSA-N 2 2 335.451 3.190 10 30 EGEELP C=CCc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(OC)c1O ZINC000370130895 457556248 /nfs/dbraw/zinc/55/62/48/457556248.db2.gz IQGZPTKMMXMULH-UHFFFAOYSA-N 2 2 330.472 3.236 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037494 457923184 /nfs/dbraw/zinc/92/31/84/457923184.db2.gz SXIVLFMMULOJDF-KMEYYKJISA-N 2 2 326.488 3.212 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367037494 457923193 /nfs/dbraw/zinc/92/31/93/457923193.db2.gz SXIVLFMMULOJDF-KMEYYKJISA-N 2 2 326.488 3.212 10 30 EGEELP C(#CC[N@@H+]1CCC[C@@H]1c1ccccn1)C[NH+]1CCC[C@@H]1c1ccccn1 ZINC000551386974 458887716 /nfs/dbraw/zinc/88/77/16/458887716.db2.gz IYOSFWJUSOMLJB-FGZHOGPDSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@@H]1c1ccccn1)C[NH+]1CCC[C@@H]1c1ccccn1 ZINC000551386974 458887724 /nfs/dbraw/zinc/88/77/24/458887724.db2.gz IYOSFWJUSOMLJB-FGZHOGPDSA-N 2 2 346.478 3.454 10 30 EGEELP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594493423 459058928 /nfs/dbraw/zinc/05/89/28/459058928.db2.gz MVHJIVZKYUBQLM-IRXDYDNUSA-N 2 2 329.488 3.077 10 30 EGEELP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000594521875 459078409 /nfs/dbraw/zinc/07/84/09/459078409.db2.gz VEINNZZEHFMVOT-NHCUHLMSSA-N 2 2 341.499 3.460 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694820 459199704 /nfs/dbraw/zinc/19/97/04/459199704.db2.gz YWDSIDUECFPXOD-LAUBAEHRSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694820 459199708 /nfs/dbraw/zinc/19/97/08/459199708.db2.gz YWDSIDUECFPXOD-LAUBAEHRSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092050 459242136 /nfs/dbraw/zinc/24/21/36/459242136.db2.gz VOCODRSKRHKBSQ-MJGOQNOKSA-N 2 2 326.488 3.356 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092050 459242142 /nfs/dbraw/zinc/24/21/42/459242142.db2.gz VOCODRSKRHKBSQ-MJGOQNOKSA-N 2 2 326.488 3.356 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491062020 459595610 /nfs/dbraw/zinc/59/56/10/459595610.db2.gz PRUJMQHMEKSJJX-UXHICEINSA-N 2 2 349.563 3.388 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491062020 459595614 /nfs/dbraw/zinc/59/56/14/459595614.db2.gz PRUJMQHMEKSJJX-UXHICEINSA-N 2 2 349.563 3.388 10 30 EGEELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000596651452 459714605 /nfs/dbraw/zinc/71/46/05/459714605.db2.gz SPFDINRZICGSBX-JHVJFLLYSA-N 2 2 335.451 3.363 10 30 EGEELP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C#N)CCCC2)CC1 ZINC000600173095 460420408 /nfs/dbraw/zinc/42/04/08/460420408.db2.gz KVFFCBZHRWSWGS-UHFFFAOYSA-N 2 2 346.906 3.265 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222385 1328714373 /nfs/dbraw/zinc/71/43/73/1328714373.db2.gz UFCSYYNSBYEINU-VQIMIIECSA-N 2 2 327.472 3.474 10 30 EGEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222385 1328714377 /nfs/dbraw/zinc/71/43/77/1328714377.db2.gz UFCSYYNSBYEINU-VQIMIIECSA-N 2 2 327.472 3.474 10 30 EGEELP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745227 1331176908 /nfs/dbraw/zinc/17/69/08/1331176908.db2.gz OVUDWZBOIDDGBG-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745227 1331176910 /nfs/dbraw/zinc/17/69/10/1331176910.db2.gz OVUDWZBOIDDGBG-QGZVFWFLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811795 1378622581 /nfs/dbraw/zinc/62/25/81/1378622581.db2.gz QMUAYOHJXGTURT-DLBZAZTESA-N 2 2 346.519 3.108 10 30 EGEELP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC001282811795 1378622584 /nfs/dbraw/zinc/62/25/84/1378622584.db2.gz QMUAYOHJXGTURT-DLBZAZTESA-N 2 2 346.519 3.108 10 30 EGEELP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490801137 1394350111 /nfs/dbraw/zinc/35/01/11/1394350111.db2.gz ZMRQKNHWZDVOJH-GBESFXJTSA-N 2 2 346.519 3.480 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490801137 1394350113 /nfs/dbraw/zinc/35/01/13/1394350113.db2.gz ZMRQKNHWZDVOJH-GBESFXJTSA-N 2 2 346.519 3.480 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001481527194 1394379432 /nfs/dbraw/zinc/37/94/32/1394379432.db2.gz NRVUGRJDUIETFA-GOSISDBHSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001481527194 1394379438 /nfs/dbraw/zinc/37/94/38/1394379438.db2.gz NRVUGRJDUIETFA-GOSISDBHSA-N 2 2 338.455 3.033 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCC1 ZINC001732391663 1428560823 /nfs/dbraw/zinc/56/08/23/1428560823.db2.gz BVXYMJLOTPCCOY-MRXNPFEDSA-N 2 2 346.519 3.300 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001700872848 1414526149 /nfs/dbraw/zinc/52/61/49/1414526149.db2.gz JNBIHZHMUPWJJA-CEXWTWQISA-N 2 2 346.519 3.070 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001712998348 1417549974 /nfs/dbraw/zinc/54/99/74/1417549974.db2.gz FZLLCXZRDRJWNW-SJORKVTESA-N 2 2 340.471 3.273 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714075689 1418870063 /nfs/dbraw/zinc/87/00/63/1418870063.db2.gz ZTIPEZGFGZUBLG-SFHVURJKSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001714107674 1418907886 /nfs/dbraw/zinc/90/78/86/1418907886.db2.gz KAIWBLLFCIRJDX-QZTJIDSGSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001714107674 1418907888 /nfs/dbraw/zinc/90/78/88/1418907888.db2.gz KAIWBLLFCIRJDX-QZTJIDSGSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012837 1419742086 /nfs/dbraw/zinc/74/20/86/1419742086.db2.gz IFGSCSBFPBEZIH-CRAIPNDOSA-N 2 2 340.471 3.144 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001715012837 1419742088 /nfs/dbraw/zinc/74/20/88/1419742088.db2.gz IFGSCSBFPBEZIH-CRAIPNDOSA-N 2 2 340.471 3.144 10 30 EGEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001715455446 1420137303 /nfs/dbraw/zinc/13/73/03/1420137303.db2.gz MFZXNQJFHPXTST-DLBZAZTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001716752006 1420903687 /nfs/dbraw/zinc/90/36/87/1420903687.db2.gz HKSAFHRQFDNGDH-FXAWDEMLSA-N 2 2 343.515 3.177 10 30 EGEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716752006 1420903688 /nfs/dbraw/zinc/90/36/88/1420903688.db2.gz HKSAFHRQFDNGDH-FXAWDEMLSA-N 2 2 343.515 3.177 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001717734030 1421599339 /nfs/dbraw/zinc/59/93/39/1421599339.db2.gz UZFNZXYZCFSCEO-SFHVURJKSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001724610014 1424948508 /nfs/dbraw/zinc/94/85/08/1424948508.db2.gz GPHWHFYWGZBTMW-IYARVYRRSA-N 2 2 346.519 3.015 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724709966 1425065629 /nfs/dbraw/zinc/06/56/29/1425065629.db2.gz HKFDMACYWRVNOY-AEFFLSMTSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550221 1427569293 /nfs/dbraw/zinc/56/92/93/1427569293.db2.gz FQFJRXPEDKRFCB-RTBURBONSA-N 2 2 344.503 3.085 10 30 EGEELP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550221 1427569298 /nfs/dbraw/zinc/56/92/98/1427569298.db2.gz FQFJRXPEDKRFCB-RTBURBONSA-N 2 2 344.503 3.085 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879788 1437706732 /nfs/dbraw/zinc/70/67/32/1437706732.db2.gz VBTYXMWGGREXBH-QZTJIDSGSA-N 2 2 346.519 3.235 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879788 1437706738 /nfs/dbraw/zinc/70/67/38/1437706738.db2.gz VBTYXMWGGREXBH-QZTJIDSGSA-N 2 2 346.519 3.235 10 30 EGEELP C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328626491 258032396 /nfs/dbraw/zinc/03/23/96/258032396.db2.gz FDDPUBHUUDCILB-WMZOPIPTSA-N 2 2 326.469 3.140 10 30 EGEELP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328626491 258032398 /nfs/dbraw/zinc/03/23/98/258032398.db2.gz FDDPUBHUUDCILB-WMZOPIPTSA-N 2 2 326.469 3.140 10 30 EGEELP C[NH+](Cc1cc(C#N)cs1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626491 258032399 /nfs/dbraw/zinc/03/23/99/258032399.db2.gz FDDPUBHUUDCILB-WMZOPIPTSA-N 2 2 326.469 3.140 10 30 EGEELP C[NH+](Cc1cc(C#N)cs1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626491 258032400 /nfs/dbraw/zinc/03/24/00/258032400.db2.gz FDDPUBHUUDCILB-WMZOPIPTSA-N 2 2 326.469 3.140 10 30 EGEELP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123165072 454609165 /nfs/dbraw/zinc/60/91/65/454609165.db2.gz OGBJOFRJWHTBPF-UHFFFAOYSA-N 2 2 344.422 3.044 10 30 EGEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000106214525 454686770 /nfs/dbraw/zinc/68/67/70/454686770.db2.gz MKJPGHDSHIJGCF-KRWDZBQOSA-N 2 2 333.439 3.407 10 30 EGEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000106214525 454686773 /nfs/dbraw/zinc/68/67/73/454686773.db2.gz MKJPGHDSHIJGCF-KRWDZBQOSA-N 2 2 333.439 3.407 10 30 EGEELP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000171671673 455084554 /nfs/dbraw/zinc/08/45/54/455084554.db2.gz LVVLNPGPXWOHIZ-UHFFFAOYSA-N 2 2 343.515 3.281 10 30 EGEELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc(C#N)cs1 ZINC000352835987 456351394 /nfs/dbraw/zinc/35/13/94/456351394.db2.gz LRIMNQXXBZPPOC-GJZGRUSLSA-N 2 2 340.496 3.261 10 30 EGEELP CC[N@@H+](Cc1nc(C#N)cs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000356125232 457467070 /nfs/dbraw/zinc/46/70/70/457467070.db2.gz QVXFQOVLTIXCCU-UHFFFAOYSA-N 2 2 341.484 3.148 10 30 EGEELP CC[N@H+](Cc1nc(C#N)cs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000356125232 457467083 /nfs/dbraw/zinc/46/70/83/457467083.db2.gz QVXFQOVLTIXCCU-UHFFFAOYSA-N 2 2 341.484 3.148 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000361230426 457657795 /nfs/dbraw/zinc/65/77/95/457657795.db2.gz DYZBEKSBTASTFZ-AWEZNQCLSA-N 2 2 345.878 3.222 10 30 EGEELP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000358194289 457850339 /nfs/dbraw/zinc/85/03/39/457850339.db2.gz BTCIOCJNKSOXPQ-HXUWFJFHSA-N 2 2 335.451 3.191 10 30 EGEELP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000358194289 457850345 /nfs/dbraw/zinc/85/03/45/457850345.db2.gz BTCIOCJNKSOXPQ-HXUWFJFHSA-N 2 2 335.451 3.191 10 30 EGEELP C=C(C)COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000368216615 458020110 /nfs/dbraw/zinc/02/01/10/458020110.db2.gz AUSKZKMPGGSQDL-OAHLLOKOSA-N 2 2 327.428 3.020 10 30 EGEELP C=C(C)COc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000368216615 458020113 /nfs/dbraw/zinc/02/01/13/458020113.db2.gz AUSKZKMPGGSQDL-OAHLLOKOSA-N 2 2 327.428 3.020 10 30 EGEELP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)o1 ZINC000373484022 458506272 /nfs/dbraw/zinc/50/62/72/458506272.db2.gz KNTBMKGXWOSYIN-UHFFFAOYSA-N 2 2 327.350 3.046 10 30 EGEELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000567645939 459138865 /nfs/dbraw/zinc/13/88/65/459138865.db2.gz KSXBRQFBRFDIOH-OXJNMPFZSA-N 2 2 335.451 3.082 10 30 EGEELP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596047761 459501666 /nfs/dbraw/zinc/50/16/66/459501666.db2.gz RJXWXIDIOHQIJM-WOJBJXKFSA-N 2 2 336.483 3.322 10 30 EGEELP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596047761 459501672 /nfs/dbraw/zinc/50/16/72/459501672.db2.gz RJXWXIDIOHQIJM-WOJBJXKFSA-N 2 2 336.483 3.322 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491062022 459595413 /nfs/dbraw/zinc/59/54/13/459595413.db2.gz PRUJMQHMEKSJJX-WOJBJXKFSA-N 2 2 349.563 3.388 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491062022 459595420 /nfs/dbraw/zinc/59/54/20/459595420.db2.gz PRUJMQHMEKSJJX-WOJBJXKFSA-N 2 2 349.563 3.388 10 30 EGEELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597126528 459844100 /nfs/dbraw/zinc/84/41/00/459844100.db2.gz OSSJDUPLSVHLBE-UHFFFAOYSA-N 2 2 332.451 3.267 10 30 EGEELP C=CC[C@@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC[NH2+]1 ZINC000662660742 461340171 /nfs/dbraw/zinc/34/01/71/461340171.db2.gz GDSXTVCHMZESIC-FQEVSTJZSA-N 2 2 338.455 3.400 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000662079654 462520672 /nfs/dbraw/zinc/52/06/72/462520672.db2.gz LJHFDCYNIJPQAA-FGTMMUONSA-N 2 2 325.456 3.197 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000662079654 462520673 /nfs/dbraw/zinc/52/06/73/462520673.db2.gz LJHFDCYNIJPQAA-FGTMMUONSA-N 2 2 325.456 3.197 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000662090418 462522640 /nfs/dbraw/zinc/52/26/40/462522640.db2.gz OVPBBWXGSKAEMA-QHAWAJNXSA-N 2 2 326.484 3.461 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000662090418 462522641 /nfs/dbraw/zinc/52/26/41/462522641.db2.gz OVPBBWXGSKAEMA-QHAWAJNXSA-N 2 2 326.484 3.461 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000662090418 462522643 /nfs/dbraw/zinc/52/26/43/462522643.db2.gz OVPBBWXGSKAEMA-QHAWAJNXSA-N 2 2 326.484 3.461 10 30 EGEELP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000662090418 462522646 /nfs/dbraw/zinc/52/26/46/462522646.db2.gz OVPBBWXGSKAEMA-QHAWAJNXSA-N 2 2 326.484 3.461 10 30 EGEELP N#Cc1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn2ccccc12 ZINC000171643716 534762346 /nfs/dbraw/zinc/76/23/46/534762346.db2.gz YZXRVXZOSIOBLA-INIZCTEOSA-N 2 2 331.423 3.140 10 30 EGEELP N#Cc1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn2ccccc12 ZINC000171643716 534762353 /nfs/dbraw/zinc/76/23/53/534762353.db2.gz YZXRVXZOSIOBLA-INIZCTEOSA-N 2 2 331.423 3.140 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900080 526542887 /nfs/dbraw/zinc/54/28/87/526542887.db2.gz OEZPCWKETGJVRF-SJORKVTESA-N 2 2 340.471 3.336 10 30 EGEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909309 527629755 /nfs/dbraw/zinc/62/97/55/527629755.db2.gz YFHXDZWBCUMLPS-DLBZAZTESA-N 2 2 338.455 3.112 10 30 EGEELP C=CCC[C@@H](COc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883236907 1302325882 /nfs/dbraw/zinc/32/58/82/1302325882.db2.gz MXQDKQMFLZPFJV-PMACEKPBSA-N 2 2 344.499 3.243 10 30 EGEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)CC1 ZINC000894228572 1306289158 /nfs/dbraw/zinc/28/91/58/1306289158.db2.gz GAVOOMXLUOJOPG-UHFFFAOYSA-N 2 2 333.476 3.055 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCS3)CC2)cc1 ZINC000865726281 1329732819 /nfs/dbraw/zinc/73/28/19/1329732819.db2.gz VXQKLKWHBLRSQR-IBGZPJMESA-N 2 2 329.513 3.398 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317012790 1384777031 /nfs/dbraw/zinc/77/70/31/1384777031.db2.gz LBGPHVRZCGHEJA-RDTXWAMCSA-N 2 2 340.471 3.095 10 30 EGEELP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319849893 1386333786 /nfs/dbraw/zinc/33/37/86/1386333786.db2.gz QURFYFPTBNKNRQ-KXBFYZLASA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001330613206 1389469915 /nfs/dbraw/zinc/46/99/15/1389469915.db2.gz KTELDSMVFCMMPF-IIAWOOMASA-N 2 2 326.444 3.016 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001331031623 1389603556 /nfs/dbraw/zinc/60/35/56/1389603556.db2.gz YNIZPKRJRXIQRK-KRWDZBQOSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001331031623 1389603557 /nfs/dbraw/zinc/60/35/57/1389603557.db2.gz YNIZPKRJRXIQRK-KRWDZBQOSA-N 2 2 346.519 3.204 10 30 EGEELP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001479597195 1392284653 /nfs/dbraw/zinc/28/46/53/1392284653.db2.gz FTVYVALLFGXPPX-GUDVDZBRSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001481930016 1394601178 /nfs/dbraw/zinc/60/11/78/1394601178.db2.gz DSRGKEOMVMLIRH-FQEVSTJZSA-N 2 2 340.471 3.097 10 30 EGEELP C=CC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC001483992969 1395176035 /nfs/dbraw/zinc/17/60/35/1395176035.db2.gz SJQQZBUGLSVFRD-FQEVSTJZSA-N 2 2 348.450 3.060 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001484562849 1395448453 /nfs/dbraw/zinc/44/84/53/1395448453.db2.gz HLOWSTCMMUCBEI-IRXDYDNUSA-N 2 2 340.471 3.377 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001484562850 1395448545 /nfs/dbraw/zinc/44/85/45/1395448545.db2.gz HLOWSTCMMUCBEI-SJORKVTESA-N 2 2 340.471 3.377 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498478796 1397026064 /nfs/dbraw/zinc/02/60/64/1397026064.db2.gz BWSAXIFJBQGPDE-ROUUACIJSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001691690223 1405424581 /nfs/dbraw/zinc/42/45/81/1405424581.db2.gz PFONJXZFORQRLW-DLBZAZTESA-N 2 2 344.503 3.010 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001691690225 1405425340 /nfs/dbraw/zinc/42/53/40/1405425340.db2.gz PFONJXZFORQRLW-IRXDYDNUSA-N 2 2 344.503 3.010 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692333193 1405953106 /nfs/dbraw/zinc/95/31/06/1405953106.db2.gz LIWWSDGUJUYGMB-IRXDYDNUSA-N 2 2 346.519 3.403 10 30 EGEELP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732509994 1428629111 /nfs/dbraw/zinc/62/91/11/1428629111.db2.gz BMMQOQMDNNIAOT-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001712996557 1417548077 /nfs/dbraw/zinc/54/80/77/1417548077.db2.gz MMSRWWKTSIKGGE-AEFFLSMTSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001713141840 1417723799 /nfs/dbraw/zinc/72/37/99/1417723799.db2.gz MHAJJZNUACAMMK-CEXWTWQISA-N 2 2 344.503 3.112 10 30 EGEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001713141840 1417723803 /nfs/dbraw/zinc/72/38/03/1417723803.db2.gz MHAJJZNUACAMMK-CEXWTWQISA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713895925 1418692665 /nfs/dbraw/zinc/69/26/65/1418692665.db2.gz WUCLNQCNSADTFN-SFHVURJKSA-N 2 2 329.488 3.367 10 30 EGEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713895925 1418692666 /nfs/dbraw/zinc/69/26/66/1418692666.db2.gz WUCLNQCNSADTFN-SFHVURJKSA-N 2 2 329.488 3.367 10 30 EGEELP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715194019 1419925944 /nfs/dbraw/zinc/92/59/44/1419925944.db2.gz GXXGDSIEISXESW-QGZVFWFLSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715393976 1420091500 /nfs/dbraw/zinc/09/15/00/1420091500.db2.gz VJKVMVGIFPVHRI-BEFAXECRSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001724072114 1424646979 /nfs/dbraw/zinc/64/69/79/1424646979.db2.gz RDNRSPIVJMYJHU-FQEVSTJZSA-N 2 2 348.450 3.129 10 30 EGEELP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001724651975 1425014074 /nfs/dbraw/zinc/01/40/74/1425014074.db2.gz NIEADLBVRSOCEX-GUDVDZBRSA-N 2 2 344.503 3.112 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001724651975 1425014077 /nfs/dbraw/zinc/01/40/77/1425014077.db2.gz NIEADLBVRSOCEX-GUDVDZBRSA-N 2 2 344.503 3.112 10 30 EGEELP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001724749028 1425119177 /nfs/dbraw/zinc/11/91/77/1425119177.db2.gz NEIYILHEUYBEFC-CQSZACIVSA-N 2 2 334.423 3.330 10 30 EGEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001725664944 1426347319 /nfs/dbraw/zinc/34/73/19/1426347319.db2.gz AIHFPZSZSXHDSC-KRWDZBQOSA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733688674 1429904828 /nfs/dbraw/zinc/90/48/28/1429904828.db2.gz PTKIHIGRYBLEPL-QAQDUYKDSA-N 2 2 340.471 3.179 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761647 1429976635 /nfs/dbraw/zinc/97/66/35/1429976635.db2.gz XBNBCVAXDXTPFU-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001733761647 1429976640 /nfs/dbraw/zinc/97/66/40/1429976640.db2.gz XBNBCVAXDXTPFU-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879787 1437706530 /nfs/dbraw/zinc/70/65/30/1437706530.db2.gz VBTYXMWGGREXBH-MSOLQXFVSA-N 2 2 346.519 3.235 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001733879787 1437706531 /nfs/dbraw/zinc/70/65/31/1437706531.db2.gz VBTYXMWGGREXBH-MSOLQXFVSA-N 2 2 346.519 3.235 10 30 EGEELP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001734580398 1438172716 /nfs/dbraw/zinc/17/27/16/1438172716.db2.gz UNMLEUYNDTWJJP-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C#N)c(C)[nH+]1 ZINC000328626105 258032933 /nfs/dbraw/zinc/03/29/33/258032933.db2.gz LJBDHPARRXWGMF-PXNSSMCTSA-N 2 2 335.455 3.094 10 30 EGEELP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C#N)c(C)[nH+]1 ZINC000328626105 258032934 /nfs/dbraw/zinc/03/29/34/258032934.db2.gz LJBDHPARRXWGMF-PXNSSMCTSA-N 2 2 335.455 3.094 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)s1 ZINC000181533685 455350826 /nfs/dbraw/zinc/35/08/26/455350826.db2.gz HQWIVIXODCTWFQ-AWEZNQCLSA-N 2 2 326.469 3.330 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc43)CC2)cc1 ZINC000181926778 455401135 /nfs/dbraw/zinc/40/11/35/455401135.db2.gz YNFFBBILPZZXBT-HXUWFJFHSA-N 2 2 333.435 3.246 10 30 EGEELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccc(C#N)o3)CC2)c[nH+]1 ZINC000328628685 456724563 /nfs/dbraw/zinc/72/45/63/456724563.db2.gz HMTUZMXFAMUFTG-HNNXBMFYSA-N 2 2 339.443 3.079 10 30 EGEELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)c[nH+]1 ZINC000328628685 456724567 /nfs/dbraw/zinc/72/45/67/456724567.db2.gz HMTUZMXFAMUFTG-HNNXBMFYSA-N 2 2 339.443 3.079 10 30 EGEELP COc1ccc([C@H]([NH2+]CCc2cccc(C#N)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423110213 458430085 /nfs/dbraw/zinc/43/00/85/458430085.db2.gz VGQCCBJTIQRUTN-RTWAWAEBSA-N 2 2 335.451 3.192 10 30 EGEELP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000594982594 459205545 /nfs/dbraw/zinc/20/55/45/459205545.db2.gz AXRHWSSJXGMIOA-OXQOHEQNSA-N 2 2 327.472 3.070 10 30 EGEELP CC1(C#N)CCC([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000590778329 459214606 /nfs/dbraw/zinc/21/46/06/459214606.db2.gz ZTQRCLYBPHIHQH-XVAXZDLZSA-N 2 2 341.499 3.076 10 30 EGEELP CC1(C#N)CCC([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000590778329 459214609 /nfs/dbraw/zinc/21/46/09/459214609.db2.gz ZTQRCLYBPHIHQH-XVAXZDLZSA-N 2 2 341.499 3.076 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111324 459248099 /nfs/dbraw/zinc/24/80/99/459248099.db2.gz OYJYHBXPNRZONF-XMSQKQJNSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000595111324 459248103 /nfs/dbraw/zinc/24/81/03/459248103.db2.gz OYJYHBXPNRZONF-XMSQKQJNSA-N 2 2 348.494 3.025 10 30 EGEELP C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC1C[NH+](C)C1 ZINC000597202569 459874766 /nfs/dbraw/zinc/87/47/66/459874766.db2.gz FMCNBFWTNZJGNI-UHFFFAOYSA-N 2 2 335.451 3.131 10 30 EGEELP C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC1C[NH+](C)C1 ZINC000597202569 459874771 /nfs/dbraw/zinc/87/47/71/459874771.db2.gz FMCNBFWTNZJGNI-UHFFFAOYSA-N 2 2 335.451 3.131 10 30 EGEELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC(C)(C)C#N)c(C)c1 ZINC000598724972 460007417 /nfs/dbraw/zinc/00/74/17/460007417.db2.gz MUTNSEAFLZDVNB-IEBWSBKVSA-N 2 2 340.471 3.132 10 30 EGEELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC(C)(C)C#N)c(C)c1 ZINC000598724974 460007582 /nfs/dbraw/zinc/00/75/82/460007582.db2.gz MUTNSEAFLZDVNB-PKOBYXMFSA-N 2 2 340.471 3.132 10 30 EGEELP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601965834 460965597 /nfs/dbraw/zinc/96/55/97/460965597.db2.gz ABUCOJKURNLUKU-WOJBJXKFSA-N 2 2 343.515 3.322 10 30 EGEELP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601965834 460965602 /nfs/dbraw/zinc/96/56/02/460965602.db2.gz ABUCOJKURNLUKU-WOJBJXKFSA-N 2 2 343.515 3.322 10 30 EGEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900043 526542872 /nfs/dbraw/zinc/54/28/72/526542872.db2.gz OEZPCWKETGJVRF-IRXDYDNUSA-N 2 2 340.471 3.336 10 30 EGEELP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000700717748 1298177593 /nfs/dbraw/zinc/17/75/93/1298177593.db2.gz FVFGVTXPPKBGGL-FGZHOGPDSA-N 2 2 331.463 3.431 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222383 1328714474 /nfs/dbraw/zinc/71/44/74/1328714474.db2.gz UFCSYYNSBYEINU-QFBILLFUSA-N 2 2 327.472 3.474 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222383 1328714478 /nfs/dbraw/zinc/71/44/78/1328714478.db2.gz UFCSYYNSBYEINU-QFBILLFUSA-N 2 2 327.472 3.474 10 30 EGEELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921919851 1322422977 /nfs/dbraw/zinc/42/29/77/1322422977.db2.gz CJLDOBVHMCASEX-AWEZNQCLSA-N 2 2 326.469 3.330 10 30 EGEELP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284057505 1379409706 /nfs/dbraw/zinc/40/97/06/1379409706.db2.gz MQBWOMNXWVDPPI-QWFCFKBJSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284057505 1379409708 /nfs/dbraw/zinc/40/97/08/1379409708.db2.gz MQBWOMNXWVDPPI-QWFCFKBJSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316803215 1384591545 /nfs/dbraw/zinc/59/15/45/1384591545.db2.gz YQZLTIHTCVRNAJ-AEFFLSMTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316803215 1384591548 /nfs/dbraw/zinc/59/15/48/1384591548.db2.gz YQZLTIHTCVRNAJ-AEFFLSMTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316803215 1384591550 /nfs/dbraw/zinc/59/15/50/1384591550.db2.gz YQZLTIHTCVRNAJ-AEFFLSMTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316803215 1384591553 /nfs/dbraw/zinc/59/15/53/1384591553.db2.gz YQZLTIHTCVRNAJ-AEFFLSMTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479596227 1392284689 /nfs/dbraw/zinc/28/46/89/1392284689.db2.gz VBCFNOSQIRJJCZ-DNVCBOLYSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001482005153 1394665157 /nfs/dbraw/zinc/66/51/57/1394665157.db2.gz CRZYZMREQLJYDS-KRWDZBQOSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365919 1403707562 /nfs/dbraw/zinc/70/75/62/1403707562.db2.gz QUJSNOPEQSRXIV-SJORKVTESA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365919 1403707565 /nfs/dbraw/zinc/70/75/65/1403707565.db2.gz QUJSNOPEQSRXIV-SJORKVTESA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001690160959 1404358824 /nfs/dbraw/zinc/35/88/24/1404358824.db2.gz SBFKORVYXRGPDJ-KDOFPFPSSA-N 2 2 329.488 3.460 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499542 1404612670 /nfs/dbraw/zinc/61/26/70/1404612670.db2.gz WQFVNODAQPEFJB-JKSUJKDBSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690499542 1404612675 /nfs/dbraw/zinc/61/26/75/1404612675.db2.gz WQFVNODAQPEFJB-JKSUJKDBSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013932 1405733788 /nfs/dbraw/zinc/73/37/88/1405733788.db2.gz OFQDIUHLEKLTHU-LJQANCHMSA-N 2 2 346.519 3.217 10 30 EGEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001692013932 1405733793 /nfs/dbraw/zinc/73/37/93/1405733793.db2.gz OFQDIUHLEKLTHU-LJQANCHMSA-N 2 2 346.519 3.217 10 30 EGEELP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001692257526 1405884655 /nfs/dbraw/zinc/88/46/55/1405884655.db2.gz HJZGYTPSPDOCSO-MSOLQXFVSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001692257526 1405884659 /nfs/dbraw/zinc/88/46/59/1405884659.db2.gz HJZGYTPSPDOCSO-MSOLQXFVSA-N 2 2 332.492 3.113 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001692333191 1405952523 /nfs/dbraw/zinc/95/25/23/1405952523.db2.gz LIWWSDGUJUYGMB-DLBZAZTESA-N 2 2 346.519 3.403 10 30 EGEELP C=C(C)CC[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001732324523 1428533280 /nfs/dbraw/zinc/53/32/80/1428533280.db2.gz KXIDBWCOEIWHCN-QGZVFWFLSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001732542567 1428698513 /nfs/dbraw/zinc/69/85/13/1428698513.db2.gz UZAZJDFPSVUXAD-FUHWJXTLSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001699678210 1413073300 /nfs/dbraw/zinc/07/33/00/1413073300.db2.gz OZUUHPFHDCHTIR-UXDRXVOSSA-N 2 2 344.503 3.199 10 30 EGEELP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001699678210 1413073306 /nfs/dbraw/zinc/07/33/06/1413073306.db2.gz OZUUHPFHDCHTIR-UXDRXVOSSA-N 2 2 344.503 3.199 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699755045 1413161785 /nfs/dbraw/zinc/16/17/85/1413161785.db2.gz JCPHZOOFSMKWGB-LJQANCHMSA-N 2 2 338.455 3.033 10 30 EGEELP C=C(Cl)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001700511564 1414160667 /nfs/dbraw/zinc/16/06/67/1414160667.db2.gz FDFLFIHZOWPSHF-UHFFFAOYSA-N 2 2 346.862 3.338 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714005410 1418785433 /nfs/dbraw/zinc/78/54/33/1418785433.db2.gz FQABLQLVSPAHPU-GVDBMIGSSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001714005410 1418785435 /nfs/dbraw/zinc/78/54/35/1418785435.db2.gz FQABLQLVSPAHPU-GVDBMIGSSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714005410 1418785436 /nfs/dbraw/zinc/78/54/36/1418785436.db2.gz FQABLQLVSPAHPU-GVDBMIGSSA-N 2 2 332.492 3.016 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001714005410 1418785438 /nfs/dbraw/zinc/78/54/38/1418785438.db2.gz FQABLQLVSPAHPU-GVDBMIGSSA-N 2 2 332.492 3.016 10 30 EGEELP C=CC[NH2+]C[C@]1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC[C@@H]1C ZINC001715126570 1419872924 /nfs/dbraw/zinc/87/29/24/1419872924.db2.gz CFRPVOHJYVQCFK-MGPUTAFESA-N 2 2 340.471 3.097 10 30 EGEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001715435172 1420121593 /nfs/dbraw/zinc/12/15/93/1420121593.db2.gz DNKGNKWWBQPEOI-QZTJIDSGSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001716895030 1421021103 /nfs/dbraw/zinc/02/11/03/1421021103.db2.gz BSKJBMBUZISQRK-HXUWFJFHSA-N 2 2 346.519 3.111 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001716895030 1421021105 /nfs/dbraw/zinc/02/11/05/1421021105.db2.gz BSKJBMBUZISQRK-HXUWFJFHSA-N 2 2 346.519 3.111 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001733290112 1429468975 /nfs/dbraw/zinc/46/89/75/1429468975.db2.gz BNVZQFNEVLFTRL-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001733290112 1429468976 /nfs/dbraw/zinc/46/89/76/1429468976.db2.gz BNVZQFNEVLFTRL-KRWDZBQOSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733687572 1429903643 /nfs/dbraw/zinc/90/36/43/1429903643.db2.gz QMHIJFZYFPUPCN-KOMQPUFPSA-N 2 2 326.444 3.017 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733814341 1430094131 /nfs/dbraw/zinc/09/41/31/1430094131.db2.gz UJXVABSJQZKRIU-FQEVSTJZSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001733814341 1430094135 /nfs/dbraw/zinc/09/41/35/1430094135.db2.gz UJXVABSJQZKRIU-FQEVSTJZSA-N 2 2 346.519 3.237 10 30 EGEELP CC#CC[NH2+][C@@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001734078511 1437866258 /nfs/dbraw/zinc/86/62/58/1437866258.db2.gz KBVFTACHQPMRER-SFHVURJKSA-N 2 2 329.488 3.106 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148822 1437916639 /nfs/dbraw/zinc/91/66/39/1437916639.db2.gz VUCNNGMVMZHRAS-KBXCAEBGSA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001734148822 1437916640 /nfs/dbraw/zinc/91/66/40/1437916640.db2.gz VUCNNGMVMZHRAS-KBXCAEBGSA-N 2 2 340.471 3.358 10 30 EGEELP C=C(C)CC[N@@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001734550507 1438147675 /nfs/dbraw/zinc/14/76/75/1438147675.db2.gz VKYKWALLWUPINT-UHFFFAOYSA-N 2 2 328.460 3.083 10 30 EGEELP C=C(C)CC[N@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001734550507 1438147676 /nfs/dbraw/zinc/14/76/76/1438147676.db2.gz VKYKWALLWUPINT-UHFFFAOYSA-N 2 2 328.460 3.083 10 30 EGEELP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001734580400 1438172783 /nfs/dbraw/zinc/17/27/83/1438172783.db2.gz UNMLEUYNDTWJJP-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000421393807 267234781 /nfs/dbraw/zinc/23/47/81/267234781.db2.gz WZDSJOUBBFPADX-PMACEKPBSA-N 2 2 327.472 3.070 10 30 EGEELP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000421393808 267235389 /nfs/dbraw/zinc/23/53/89/267235389.db2.gz WZDSJOUBBFPADX-UXHICEINSA-N 2 2 327.472 3.070 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648792 308008580 /nfs/dbraw/zinc/00/85/80/308008580.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648792 308008581 /nfs/dbraw/zinc/00/85/81/308008581.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648792 308008582 /nfs/dbraw/zinc/00/85/82/308008582.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648792 308008583 /nfs/dbraw/zinc/00/85/83/308008583.db2.gz KEOBYEWCVZKTEA-PXNSSMCTSA-N 2 2 334.467 3.468 10 30 EGEELP CC1CC[NH+]([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600716583 460576123 /nfs/dbraw/zinc/57/61/23/460576123.db2.gz YYKKEIUNWGZWSQ-SJORKVTESA-N 2 2 347.528 3.165 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000154298605 454882172 /nfs/dbraw/zinc/88/21/72/454882172.db2.gz XNMSEQUQLSDRPM-GOEBONIOSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000154298605 454882176 /nfs/dbraw/zinc/88/21/76/454882176.db2.gz XNMSEQUQLSDRPM-GOEBONIOSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298605 454882180 /nfs/dbraw/zinc/88/21/80/454882180.db2.gz XNMSEQUQLSDRPM-GOEBONIOSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298605 454882184 /nfs/dbraw/zinc/88/21/84/454882184.db2.gz XNMSEQUQLSDRPM-GOEBONIOSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842816 456356209 /nfs/dbraw/zinc/35/62/09/456356209.db2.gz VUYKTWJNFUVIQE-WMLDXEAASA-N 2 2 326.469 3.015 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842816 456356213 /nfs/dbraw/zinc/35/62/13/456356213.db2.gz VUYKTWJNFUVIQE-WMLDXEAASA-N 2 2 326.469 3.015 10 30 EGEELP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356080330 457447083 /nfs/dbraw/zinc/44/70/83/457447083.db2.gz CNLGZLGAPFVFTB-UHFFFAOYSA-N 2 2 325.378 3.493 10 30 EGEELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356080330 457447088 /nfs/dbraw/zinc/44/70/88/457447088.db2.gz CNLGZLGAPFVFTB-UHFFFAOYSA-N 2 2 325.378 3.493 10 30 EGEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)cc1F ZINC000358566171 458080159 /nfs/dbraw/zinc/08/01/59/458080159.db2.gz INPGNLHEOIDYDL-GKCIPKSASA-N 2 2 345.462 3.116 10 30 EGEELP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000423296048 458430682 /nfs/dbraw/zinc/43/06/82/458430682.db2.gz YFZOBMWDZZBGEM-KRWDZBQOSA-N 3 2 348.494 3.332 10 30 EGEELP Clc1ccccc1C#CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000441158677 458893681 /nfs/dbraw/zinc/89/36/81/458893681.db2.gz XFFOFKGOBOXKDU-UHFFFAOYSA-N 2 2 346.902 3.126 10 30 EGEELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000596648817 459713682 /nfs/dbraw/zinc/71/36/82/459713682.db2.gz FYFWKCNYOFOHJO-LQJIQPLVSA-N 2 2 327.472 3.203 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611127199 460294093 /nfs/dbraw/zinc/29/40/93/460294093.db2.gz GWYFLNKWUYVWMB-SFHVURJKSA-N 2 2 331.423 3.276 10 30 EGEELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000611127199 460294096 /nfs/dbraw/zinc/29/40/96/460294096.db2.gz GWYFLNKWUYVWMB-SFHVURJKSA-N 2 2 331.423 3.276 10 30 EGEELP N#CC1(C[C@H](O)C[NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601970149 460966119 /nfs/dbraw/zinc/96/61/19/460966119.db2.gz YOUJKPYMYLRKTC-PMACEKPBSA-N 2 2 341.499 3.076 10 30 EGEELP N#CC1(C[C@H](O)C[NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601970149 460966127 /nfs/dbraw/zinc/96/61/27/460966127.db2.gz YOUJKPYMYLRKTC-PMACEKPBSA-N 2 2 341.499 3.076 10 30 EGEELP C=CCCn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nn1 ZINC000668171900 461155598 /nfs/dbraw/zinc/15/55/98/461155598.db2.gz YAVQFHUJQIOUTM-UXHICEINSA-N 2 2 348.454 3.069 10 30 EGEELP N#CCOc1ccc(Cl)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000735310031 575639741 /nfs/dbraw/zinc/63/97/41/575639741.db2.gz YNYLELHVMJURMA-UHFFFAOYSA-N 2 2 330.819 3.276 10 30 EGEELP C[NH+]=C(NCCC1=CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261953300 1296609359 /nfs/dbraw/zinc/60/93/59/1296609359.db2.gz IBHRIHFMSXYPNI-FUHWJXTLSA-N 2 2 329.492 3.232 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H](COC(C)C)Cc2ccc(F)cc2)CC1 ZINC000872035535 1296685050 /nfs/dbraw/zinc/68/50/50/1296685050.db2.gz WSGVEOVMXWXWGH-FQEVSTJZSA-N 2 2 334.479 3.402 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809311 1328707387 /nfs/dbraw/zinc/70/73/87/1328707387.db2.gz XJWDVSMVQAHKGQ-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809311 1328707391 /nfs/dbraw/zinc/70/73/91/1328707391.db2.gz XJWDVSMVQAHKGQ-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809311 1328707395 /nfs/dbraw/zinc/70/73/95/1328707395.db2.gz XJWDVSMVQAHKGQ-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809311 1328707397 /nfs/dbraw/zinc/70/73/97/1328707397.db2.gz XJWDVSMVQAHKGQ-UWJYYQICSA-N 2 2 334.467 3.438 10 30 EGEELP CCCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001277473189 1378226900 /nfs/dbraw/zinc/22/69/00/1378226900.db2.gz APQIYQOLENTMQJ-FQEVSTJZSA-N 2 2 346.519 3.168 10 30 EGEELP CCCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001277473189 1378226906 /nfs/dbraw/zinc/22/69/06/1378226906.db2.gz APQIYQOLENTMQJ-FQEVSTJZSA-N 2 2 346.519 3.168 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001280367867 1378344349 /nfs/dbraw/zinc/34/43/49/1378344349.db2.gz UGFKMRIRQBNINQ-JCNLHEQBSA-N 2 2 340.471 3.407 10 30 EGEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001282726404 1378580361 /nfs/dbraw/zinc/58/03/61/1378580361.db2.gz VAQBNFJHRLEZHP-MRXNPFEDSA-N 2 2 340.471 3.131 10 30 EGEELP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001316932926 1384704057 /nfs/dbraw/zinc/70/40/57/1384704057.db2.gz DDJLCJRKXWCHPU-QZTJIDSGSA-N 2 2 346.519 3.406 10 30 EGEELP CCCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001316932926 1384704059 /nfs/dbraw/zinc/70/40/59/1384704059.db2.gz DDJLCJRKXWCHPU-QZTJIDSGSA-N 2 2 346.519 3.406 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317504404 1385209516 /nfs/dbraw/zinc/20/95/16/1385209516.db2.gz GWGOTFRZXMLQFR-CRAIPNDOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317504404 1385209519 /nfs/dbraw/zinc/20/95/19/1385209519.db2.gz GWGOTFRZXMLQFR-CRAIPNDOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761093 1385450498 /nfs/dbraw/zinc/45/04/98/1385450498.db2.gz FAELWABLJACUCA-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317761093 1385450501 /nfs/dbraw/zinc/45/05/01/1385450501.db2.gz FAELWABLJACUCA-INIZCTEOSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329875397 1389241762 /nfs/dbraw/zinc/24/17/62/1389241762.db2.gz JFGUVOIWDLASCR-KRWDZBQOSA-N 2 2 328.460 3.097 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001332389217 1390103683 /nfs/dbraw/zinc/10/36/83/1390103683.db2.gz XAFRDIIHINCVAB-NVXWUHKLSA-N 2 2 346.519 3.108 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399427 1394245568 /nfs/dbraw/zinc/24/55/68/1394245568.db2.gz JZBODDUTOMLIEZ-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481399427 1394245571 /nfs/dbraw/zinc/24/55/71/1394245571.db2.gz JZBODDUTOMLIEZ-SFHVURJKSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765803 1394328667 /nfs/dbraw/zinc/32/86/67/1394328667.db2.gz HKEGPJCKRGXOTP-OALUTQOASA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001490765803 1394328670 /nfs/dbraw/zinc/32/86/70/1394328670.db2.gz HKEGPJCKRGXOTP-OALUTQOASA-N 2 2 346.519 3.217 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767560 1394510785 /nfs/dbraw/zinc/51/07/85/1394510785.db2.gz GRBAXTQPSDRVIV-RDJZCZTQSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767560 1394510788 /nfs/dbraw/zinc/51/07/88/1394510788.db2.gz GRBAXTQPSDRVIV-RDJZCZTQSA-N 2 2 340.471 3.454 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001700018012 1413465078 /nfs/dbraw/zinc/46/50/78/1413465078.db2.gz VBWOJJJTZQAAJQ-OALUTQOASA-N 2 2 346.519 3.296 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001700018012 1413465096 /nfs/dbraw/zinc/46/50/96/1413465096.db2.gz VBWOJJJTZQAAJQ-OALUTQOASA-N 2 2 346.519 3.296 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001700070645 1413485522 /nfs/dbraw/zinc/48/55/22/1413485522.db2.gz RVQLHVVQXDGPEV-IRXDYDNUSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700292770 1413749049 /nfs/dbraw/zinc/74/90/49/1413749049.db2.gz NTWQMOVVTHCQFS-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001700292770 1413749050 /nfs/dbraw/zinc/74/90/50/1413749050.db2.gz NTWQMOVVTHCQFS-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001707240013 1417260115 /nfs/dbraw/zinc/26/01/15/1417260115.db2.gz YUMIATSXOXGHLJ-SFHVURJKSA-N 2 2 340.471 3.193 10 30 EGEELP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001714107678 1418907848 /nfs/dbraw/zinc/90/78/48/1418907848.db2.gz KAIWBLLFCIRJDX-ZWKOTPCHSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001714107678 1418907851 /nfs/dbraw/zinc/90/78/51/1418907851.db2.gz KAIWBLLFCIRJDX-ZWKOTPCHSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714403696 1419145843 /nfs/dbraw/zinc/14/58/43/1419145843.db2.gz OSJZDCFMRHQYJJ-JKSUJKDBSA-N 2 2 326.444 3.160 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001717332702 1421268121 /nfs/dbraw/zinc/26/81/21/1421268121.db2.gz YMYCUAAMBDMLMB-YJBOKZPZSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001717332702 1421268122 /nfs/dbraw/zinc/26/81/22/1421268122.db2.gz YMYCUAAMBDMLMB-YJBOKZPZSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733433096 1429640214 /nfs/dbraw/zinc/64/02/14/1429640214.db2.gz VXDXURLAAUNWLZ-QUCCMNQESA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724320969 1424804820 /nfs/dbraw/zinc/80/48/20/1424804820.db2.gz FCQLCDXHDCRALP-HXUWFJFHSA-N 2 2 340.471 3.051 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001724320969 1424804823 /nfs/dbraw/zinc/80/48/23/1424804823.db2.gz FCQLCDXHDCRALP-HXUWFJFHSA-N 2 2 340.471 3.051 10 30 EGEELP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001725763153 1426444467 /nfs/dbraw/zinc/44/44/67/1426444467.db2.gz MPAWQIHTRURILW-IEBWSBKVSA-N 2 2 346.519 3.263 10 30 EGEELP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731752814 1427849265 /nfs/dbraw/zinc/84/92/65/1427849265.db2.gz WSRMRFDXKYRLQD-SFHVURJKSA-N 2 2 327.472 3.005 10 30 EGEELP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731752814 1427849270 /nfs/dbraw/zinc/84/92/70/1427849270.db2.gz WSRMRFDXKYRLQD-SFHVURJKSA-N 2 2 327.472 3.005 10 30 EGEELP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCCC1)c1ccccc1 ZINC000600726498 460581125 /nfs/dbraw/zinc/58/11/25/460581125.db2.gz LQHQRBJSEQWDPN-IEBWSBKVSA-N 2 2 341.499 3.294 10 30 EGEELP Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)c(OCC[NH+](C)C)c1 ZINC000092170551 454532434 /nfs/dbraw/zinc/53/24/34/454532434.db2.gz IGLAQKJNZYQFOW-UHFFFAOYSA-N 2 2 349.438 3.067 10 30 EGEELP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644867 454727379 /nfs/dbraw/zinc/72/73/79/454727379.db2.gz MPGWTBNVPHOSAX-SJLPKXTDSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644867 454727385 /nfs/dbraw/zinc/72/73/85/454727385.db2.gz MPGWTBNVPHOSAX-SJLPKXTDSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644867 454727391 /nfs/dbraw/zinc/72/73/91/454727391.db2.gz MPGWTBNVPHOSAX-SJLPKXTDSA-N 2 2 345.487 3.292 10 30 EGEELP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000093644867 454727396 /nfs/dbraw/zinc/72/73/96/454727396.db2.gz MPGWTBNVPHOSAX-SJLPKXTDSA-N 2 2 345.487 3.292 10 30 EGEELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000139859286 454812660 /nfs/dbraw/zinc/81/26/60/454812660.db2.gz GXGAGOUJRIPLBZ-HXUWFJFHSA-N 2 2 335.451 3.321 10 30 EGEELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000139859286 454812666 /nfs/dbraw/zinc/81/26/66/454812666.db2.gz GXGAGOUJRIPLBZ-HXUWFJFHSA-N 2 2 335.451 3.321 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000177861128 454913394 /nfs/dbraw/zinc/91/33/94/454913394.db2.gz GDXDWVJPSLBJPA-QRWLVFNGSA-N 2 2 338.430 3.093 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000177861128 454913398 /nfs/dbraw/zinc/91/33/98/454913398.db2.gz GDXDWVJPSLBJPA-QRWLVFNGSA-N 2 2 338.430 3.093 10 30 EGEELP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000606580526 460699681 /nfs/dbraw/zinc/69/96/81/460699681.db2.gz SFZWIASWWNLBSA-QGZVFWFLSA-N 2 2 341.459 3.154 10 30 EGEELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000329755658 456936775 /nfs/dbraw/zinc/93/67/75/456936775.db2.gz LRTQCXDBSOHBFX-QGZVFWFLSA-N 2 2 341.459 3.153 10 30 EGEELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000329755658 456936778 /nfs/dbraw/zinc/93/67/78/456936778.db2.gz LRTQCXDBSOHBFX-QGZVFWFLSA-N 2 2 341.459 3.153 10 30 EGEELP C[N@H+](CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1)Cc1ccccc1 ZINC000595769540 459433768 /nfs/dbraw/zinc/43/37/68/459433768.db2.gz SBGJTDNKDZFJKP-UHFFFAOYSA-N 2 2 349.478 3.286 10 30 EGEELP C[N@@H+](CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1)Cc1ccccc1 ZINC000595769540 459433773 /nfs/dbraw/zinc/43/37/73/459433773.db2.gz SBGJTDNKDZFJKP-UHFFFAOYSA-N 2 2 349.478 3.286 10 30 EGEELP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2[nH+]1 ZINC000594440682 460221968 /nfs/dbraw/zinc/22/19/68/460221968.db2.gz HTOVBOGZOMEALO-AWEZNQCLSA-N 2 2 327.432 3.255 10 30 EGEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909322 527629556 /nfs/dbraw/zinc/62/95/56/527629556.db2.gz YFHXDZWBCUMLPS-IAGOWNOFSA-N 2 2 338.455 3.112 10 30 EGEELP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000859273340 1328958575 /nfs/dbraw/zinc/95/85/75/1328958575.db2.gz FWJGRLLIFZDNHT-UTKZUKDTSA-N 2 2 334.467 3.262 10 30 EGEELP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000859273340 1328958578 /nfs/dbraw/zinc/95/85/78/1328958578.db2.gz FWJGRLLIFZDNHT-UTKZUKDTSA-N 2 2 334.467 3.262 10 30 EGEELP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC ZINC000925619771 1325233446 /nfs/dbraw/zinc/23/34/46/1325233446.db2.gz AUMNOCKMRJBUON-VQIMIIECSA-N 2 2 343.471 3.140 10 30 EGEELP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000865398140 1329691534 /nfs/dbraw/zinc/69/15/34/1329691534.db2.gz RUKCBLNQQKSVGP-UHFFFAOYSA-N 2 2 348.494 3.378 10 30 EGEELP C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001323150108 1387303202 /nfs/dbraw/zinc/30/32/02/1387303202.db2.gz PQFZXGDIRJLIFQ-ROUUACIJSA-N 2 2 346.519 3.110 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266326103 1377273847 /nfs/dbraw/zinc/27/38/47/1377273847.db2.gz XRDMNMNHZDBKLX-INIZCTEOSA-N 2 2 328.460 3.337 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266326103 1377273848 /nfs/dbraw/zinc/27/38/48/1377273848.db2.gz XRDMNMNHZDBKLX-INIZCTEOSA-N 2 2 328.460 3.337 10 30 EGEELP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001327298471 1388489565 /nfs/dbraw/zinc/48/95/65/1388489565.db2.gz IDUBKSJIIOUGFK-BGYRXZFFSA-N 2 2 345.531 3.058 10 30 EGEELP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001327298471 1388489567 /nfs/dbraw/zinc/48/95/67/1388489567.db2.gz IDUBKSJIIOUGFK-BGYRXZFFSA-N 2 2 345.531 3.058 10 30 EGEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268952203 1377533001 /nfs/dbraw/zinc/53/30/01/1377533001.db2.gz VYMXOYJPXOHUFF-IRXDYDNUSA-N 2 2 338.455 3.208 10 30 EGEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268952203 1377533005 /nfs/dbraw/zinc/53/30/05/1377533005.db2.gz VYMXOYJPXOHUFF-IRXDYDNUSA-N 2 2 338.455 3.208 10 30 EGEELP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001282677295 1378548001 /nfs/dbraw/zinc/54/80/01/1378548001.db2.gz ZQOUPPGHHXBJFJ-SJORKVTESA-N 2 2 343.943 3.220 10 30 EGEELP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001282677295 1378548008 /nfs/dbraw/zinc/54/80/08/1378548008.db2.gz ZQOUPPGHHXBJFJ-SJORKVTESA-N 2 2 343.943 3.220 10 30 EGEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078740 1392568046 /nfs/dbraw/zinc/56/80/46/1392568046.db2.gz MVWMHPBUQMRSCU-GOSISDBHSA-N 2 2 346.519 3.063 10 30 EGEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480078740 1392568047 /nfs/dbraw/zinc/56/80/47/1392568047.db2.gz MVWMHPBUQMRSCU-GOSISDBHSA-N 2 2 346.519 3.063 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383405 1392727868 /nfs/dbraw/zinc/72/78/68/1392727868.db2.gz PUIGGGBFWUNPDO-ZWKOTPCHSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383405 1392727869 /nfs/dbraw/zinc/72/78/69/1392727869.db2.gz PUIGGGBFWUNPDO-ZWKOTPCHSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383404 1392727972 /nfs/dbraw/zinc/72/79/72/1392727972.db2.gz PUIGGGBFWUNPDO-ROUUACIJSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001480383404 1392727974 /nfs/dbraw/zinc/72/79/74/1392727974.db2.gz PUIGGGBFWUNPDO-ROUUACIJSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480696540 1392859870 /nfs/dbraw/zinc/85/98/70/1392859870.db2.gz XBXPWXYEIWZKIL-HZPDHXFCSA-N 2 2 326.444 3.160 10 30 EGEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001482005154 1394665359 /nfs/dbraw/zinc/66/53/59/1394665359.db2.gz CRZYZMREQLJYDS-QGZVFWFLSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001484562848 1395448230 /nfs/dbraw/zinc/44/82/30/1395448230.db2.gz HLOWSTCMMUCBEI-IAGOWNOFSA-N 2 2 340.471 3.377 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001496370774 1396673423 /nfs/dbraw/zinc/67/34/23/1396673423.db2.gz VWNQYDBJMLHDSL-DOTOQJQBSA-N 2 2 334.508 3.058 10 30 EGEELP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001691667255 1405400675 /nfs/dbraw/zinc/40/06/75/1405400675.db2.gz OIFANPTTZWPTDQ-KRWDZBQOSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001700987689 1414630214 /nfs/dbraw/zinc/63/02/14/1414630214.db2.gz VWQHICNVDAYJIZ-MRXNPFEDSA-N 2 2 334.508 3.013 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713000273 1417553421 /nfs/dbraw/zinc/55/34/21/1417553421.db2.gz RRYXXHJZGVRHDG-KBXCAEBGSA-N 2 2 326.444 3.112 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001713517165 1418253882 /nfs/dbraw/zinc/25/38/82/1418253882.db2.gz DPFVREAOIKYWDR-ROUUACIJSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001713517165 1418253891 /nfs/dbraw/zinc/25/38/91/1418253891.db2.gz DPFVREAOIKYWDR-ROUUACIJSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713517165 1418253892 /nfs/dbraw/zinc/25/38/92/1418253892.db2.gz DPFVREAOIKYWDR-ROUUACIJSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001713517165 1418253897 /nfs/dbraw/zinc/25/38/97/1418253897.db2.gz DPFVREAOIKYWDR-ROUUACIJSA-N 2 2 349.906 3.013 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713533152 1418283203 /nfs/dbraw/zinc/28/32/03/1418283203.db2.gz CSMANMXSWLZCKW-QGZVFWFLSA-N 2 2 342.487 3.356 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001713533152 1418283204 /nfs/dbraw/zinc/28/32/04/1418283204.db2.gz CSMANMXSWLZCKW-QGZVFWFLSA-N 2 2 342.487 3.356 10 30 EGEELP C=CCC[NH+]1CCC(N(CCC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001713856962 1418653610 /nfs/dbraw/zinc/65/36/10/1418653610.db2.gz CCUJIPZUBGFUSP-UHFFFAOYSA-N 2 2 340.471 3.227 10 30 EGEELP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001714230624 1419023429 /nfs/dbraw/zinc/02/34/29/1419023429.db2.gz UMFJWZSPZNOPOX-ZWKOTPCHSA-N 2 2 332.492 3.019 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001715302268 1420009958 /nfs/dbraw/zinc/00/99/58/1420009958.db2.gz GBEQZXVPMFPLDE-MRXNPFEDSA-N 2 2 340.471 3.321 10 30 EGEELP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715393856 1420091648 /nfs/dbraw/zinc/09/16/48/1420091648.db2.gz XXLINPUDQUNEGA-MAUKXSAKSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCCC[NH2+]C1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001717298059 1421241341 /nfs/dbraw/zinc/24/13/41/1421241341.db2.gz UBHRAVXLYLRHIY-UHFFFAOYSA-N 2 2 326.444 3.113 10 30 EGEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308893 1421250899 /nfs/dbraw/zinc/25/08/99/1421250899.db2.gz ADJZPPSQMAGGIU-ZWKOTPCHSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001717308893 1421250900 /nfs/dbraw/zinc/25/09/00/1421250900.db2.gz ADJZPPSQMAGGIU-ZWKOTPCHSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001722944827 1424271750 /nfs/dbraw/zinc/27/17/50/1424271750.db2.gz WYTQGGLIZHDQLU-ZWKOTPCHSA-N 2 2 346.519 3.157 10 30 EGEELP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725237946 1425830333 /nfs/dbraw/zinc/83/03/33/1425830333.db2.gz RTLRLFDYFDRRAK-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001725237946 1425830341 /nfs/dbraw/zinc/83/03/41/1425830341.db2.gz RTLRLFDYFDRRAK-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001725675336 1426360345 /nfs/dbraw/zinc/36/03/45/1426360345.db2.gz QZSYVORRNMIXKG-KRWDZBQOSA-N 2 2 329.488 3.413 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc43)CC2)cc1 ZINC000181926799 283139293 /nfs/dbraw/zinc/13/92/93/283139293.db2.gz YNFFBBILPZZXBT-FQEVSTJZSA-N 2 2 333.435 3.246 10 30 EGEELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356347079 141345270 /nfs/dbraw/zinc/34/52/70/141345270.db2.gz UZPCATYBOXJBAN-AWEZNQCLSA-N 2 2 334.345 3.300 10 30 EGEELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356347079 141345272 /nfs/dbraw/zinc/34/52/72/141345272.db2.gz UZPCATYBOXJBAN-AWEZNQCLSA-N 2 2 334.345 3.300 10 30 EGEELP CC[NH+](CC)[C@H](CNCc1c[nH+]c2ccc(C#N)cn12)CC(C)C ZINC000123261044 162253434 /nfs/dbraw/zinc/25/34/34/162253434.db2.gz USVSKJOIBBMGDA-KRWDZBQOSA-N 2 2 327.476 3.052 10 30 EGEELP CC(C)Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[NH+](C)C)cc1 ZINC000600740896 460586258 /nfs/dbraw/zinc/58/62/58/460586258.db2.gz LAABZIXNEGXHLR-PMACEKPBSA-N 2 2 343.515 3.132 10 30 EGEELP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812771 454637544 /nfs/dbraw/zinc/63/75/44/454637544.db2.gz LWNPLTKCFUELBX-LJQANCHMSA-N 2 2 349.482 3.365 10 30 EGEELP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812771 454637548 /nfs/dbraw/zinc/63/75/48/454637548.db2.gz LWNPLTKCFUELBX-LJQANCHMSA-N 2 2 349.482 3.365 10 30 EGEELP N#Cc1cccc(OCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000156474247 455122961 /nfs/dbraw/zinc/12/29/61/455122961.db2.gz SYLBQLXQPARSCT-GOSISDBHSA-N 2 2 336.439 3.156 10 30 EGEELP N#Cc1cccc(OCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000156474247 455122966 /nfs/dbraw/zinc/12/29/66/455122966.db2.gz SYLBQLXQPARSCT-GOSISDBHSA-N 2 2 336.439 3.156 10 30 EGEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC000329793027 456941888 /nfs/dbraw/zinc/94/18/88/456941888.db2.gz VJTQVTYHLDVVOL-YJBOKZPZSA-N 2 2 344.503 3.326 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000358569924 458083744 /nfs/dbraw/zinc/08/37/44/458083744.db2.gz MRLAJDGLEIMGNS-QINHECLXSA-N 2 2 347.478 3.485 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000358569924 458083749 /nfs/dbraw/zinc/08/37/49/458083749.db2.gz MRLAJDGLEIMGNS-QINHECLXSA-N 2 2 347.478 3.485 10 30 EGEELP C=CC[NH+]1CCC([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449120659 458420653 /nfs/dbraw/zinc/42/06/53/458420653.db2.gz FAWHTYSFBJJXCZ-IBGZPJMESA-N 3 2 341.543 3.322 10 30 EGEELP C=CC[NH+]1CCC(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449120659 458420660 /nfs/dbraw/zinc/42/06/60/458420660.db2.gz FAWHTYSFBJJXCZ-IBGZPJMESA-N 2 2 341.543 3.322 10 30 EGEELP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000595006602 459212839 /nfs/dbraw/zinc/21/28/39/459212839.db2.gz LVWPEGCGBDVLAC-HTAPYJJXSA-N 2 2 349.478 3.234 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222382 1328714615 /nfs/dbraw/zinc/71/46/15/1328714615.db2.gz UFCSYYNSBYEINU-LPHOPBHVSA-N 2 2 327.472 3.474 10 30 EGEELP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222382 1328714617 /nfs/dbraw/zinc/71/46/17/1328714617.db2.gz UFCSYYNSBYEINU-LPHOPBHVSA-N 2 2 327.472 3.474 10 30 EGEELP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285277 1328729523 /nfs/dbraw/zinc/72/95/23/1328729523.db2.gz VNXNASNHAGBBHB-HXUWFJFHSA-N 2 2 326.488 3.143 10 30 EGEELP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285277 1328729531 /nfs/dbraw/zinc/72/95/31/1328729531.db2.gz VNXNASNHAGBBHB-HXUWFJFHSA-N 2 2 326.488 3.143 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323265253 1387320293 /nfs/dbraw/zinc/32/02/93/1387320293.db2.gz ZWCIFSKSONHMGQ-MRXNPFEDSA-N 2 2 328.460 3.337 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323265253 1387320294 /nfs/dbraw/zinc/32/02/94/1387320294.db2.gz ZWCIFSKSONHMGQ-MRXNPFEDSA-N 2 2 328.460 3.337 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001325395780 1387959853 /nfs/dbraw/zinc/95/98/53/1387959853.db2.gz FSCHRKZBKSWSKV-AEFFLSMTSA-N 2 2 340.471 3.049 10 30 EGEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001118639420 1371209446 /nfs/dbraw/zinc/20/94/46/1371209446.db2.gz OITHJNMBPNGVGB-SFHVURJKSA-N 2 2 334.467 3.430 10 30 EGEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001118639420 1371209447 /nfs/dbraw/zinc/20/94/47/1371209447.db2.gz OITHJNMBPNGVGB-SFHVURJKSA-N 2 2 334.467 3.430 10 30 EGEELP C=C(Cl)C[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001317685785 1385396459 /nfs/dbraw/zinc/39/64/59/1385396459.db2.gz DDERNUFCLZZEJZ-UHFFFAOYSA-N 2 2 348.878 3.226 10 30 EGEELP C=C(Cl)C[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001317685785 1385396464 /nfs/dbraw/zinc/39/64/64/1385396464.db2.gz DDERNUFCLZZEJZ-UHFFFAOYSA-N 2 2 348.878 3.226 10 30 EGEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001319809452 1386307730 /nfs/dbraw/zinc/30/77/30/1386307730.db2.gz NNDXBYTZTVGXJT-HOTGVXAUSA-N 2 2 340.471 3.359 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001479956725 1392493162 /nfs/dbraw/zinc/49/31/62/1392493162.db2.gz VKMFHGWWINTPFB-QGZVFWFLSA-N 2 2 334.508 3.088 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001479956725 1392493163 /nfs/dbraw/zinc/49/31/63/1392493163.db2.gz VKMFHGWWINTPFB-QGZVFWFLSA-N 2 2 334.508 3.088 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484021205 1395193449 /nfs/dbraw/zinc/19/34/49/1395193449.db2.gz ZFOUSRRKUBKWGW-HXUWFJFHSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484021205 1395193453 /nfs/dbraw/zinc/19/34/53/1395193453.db2.gz ZFOUSRRKUBKWGW-HXUWFJFHSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001484021205 1395193456 /nfs/dbraw/zinc/19/34/56/1395193456.db2.gz ZFOUSRRKUBKWGW-HXUWFJFHSA-N 2 2 344.503 3.013 10 30 EGEELP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001484021205 1395193459 /nfs/dbraw/zinc/19/34/59/1395193459.db2.gz ZFOUSRRKUBKWGW-HXUWFJFHSA-N 2 2 344.503 3.013 10 30 EGEELP CCCCCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001502727005 1396221157 /nfs/dbraw/zinc/22/11/57/1396221157.db2.gz BXTHZYQPRFCOBP-IRXDYDNUSA-N 2 2 342.487 3.355 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365917 1403707968 /nfs/dbraw/zinc/70/79/68/1403707968.db2.gz QUJSNOPEQSRXIV-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365917 1403707971 /nfs/dbraw/zinc/70/79/71/1403707971.db2.gz QUJSNOPEQSRXIV-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690091719 1404293560 /nfs/dbraw/zinc/29/35/60/1404293560.db2.gz DUEOSCYJXKXWCH-SFHVURJKSA-N 2 2 342.487 3.417 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690091719 1404293564 /nfs/dbraw/zinc/29/35/64/1404293564.db2.gz DUEOSCYJXKXWCH-SFHVURJKSA-N 2 2 342.487 3.417 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690707736 1404694176 /nfs/dbraw/zinc/69/41/76/1404694176.db2.gz CCKXZWFLWYRHPV-DOTOQJQBSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001699678209 1413073385 /nfs/dbraw/zinc/07/33/85/1413073385.db2.gz OZUUHPFHDCHTIR-BPIHKTFHSA-N 2 2 344.503 3.199 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001699678209 1413073387 /nfs/dbraw/zinc/07/33/87/1413073387.db2.gz OZUUHPFHDCHTIR-BPIHKTFHSA-N 2 2 344.503 3.199 10 30 EGEELP C=C(C)C[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001699789015 1413195051 /nfs/dbraw/zinc/19/50/51/1413195051.db2.gz IHWPYARAYFOHOJ-SFHVURJKSA-N 2 2 340.471 3.097 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713263312 1417871358 /nfs/dbraw/zinc/87/13/58/1417871358.db2.gz IJKQZTRCAZKHEY-FUHWJXTLSA-N 2 2 346.519 3.252 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713263313 1417871702 /nfs/dbraw/zinc/87/17/02/1417871702.db2.gz IJKQZTRCAZKHEY-SJLPKXTDSA-N 2 2 346.519 3.252 10 30 EGEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714802917 1419516087 /nfs/dbraw/zinc/51/60/87/1419516087.db2.gz CVSBQYMRQILXMU-IEBWSBKVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001725255571 1425879829 /nfs/dbraw/zinc/87/98/29/1425879829.db2.gz OERMOOYSDKQPCY-OAHLLOKOSA-N 2 2 340.471 3.359 10 30 EGEELP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750947000 1440119423 /nfs/dbraw/zinc/11/94/23/1440119423.db2.gz PCDGBQLNVDASFF-ROUUACIJSA-N 2 2 346.519 3.263 10 30 EGEELP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750947000 1440119424 /nfs/dbraw/zinc/11/94/24/1440119424.db2.gz PCDGBQLNVDASFF-ROUUACIJSA-N 2 2 346.519 3.263 10 30 EGEELP Cc1[nH+]cc(C[NH2+]CCOc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000176798594 323333037 /nfs/dbraw/zinc/33/30/37/323333037.db2.gz PPEJKUJUEHPWHY-UHFFFAOYSA-N 2 2 332.407 3.221 10 30 EGEELP C(#CC[N@@H+]1CCC[C@@H]1c1ccncc1)C[NH+]1CCC[C@@H]1c1ccncc1 ZINC000276288038 456435740 /nfs/dbraw/zinc/43/57/40/456435740.db2.gz HCYKKVNRWUTPGS-FGZHOGPDSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@@H]1c1ccncc1)C[NH+]1CCC[C@@H]1c1ccncc1 ZINC000276288038 456435746 /nfs/dbraw/zinc/43/57/46/456435746.db2.gz HCYKKVNRWUTPGS-FGZHOGPDSA-N 2 2 346.478 3.454 10 30 EGEELP N#CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000567470469 459111880 /nfs/dbraw/zinc/11/18/80/459111880.db2.gz AZJSWDIKCKQABC-UHFFFAOYSA-N 2 2 344.462 3.379 10 30 EGEELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000558485972 459165367 /nfs/dbraw/zinc/16/53/67/459165367.db2.gz NNMCQMMWTLNHMP-QGZVFWFLSA-N 2 2 337.452 3.359 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694819 459199605 /nfs/dbraw/zinc/19/96/05/459199605.db2.gz YWDSIDUECFPXOD-DYESRHJHSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694819 459199613 /nfs/dbraw/zinc/19/96/13/459199613.db2.gz YWDSIDUECFPXOD-DYESRHJHSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092048 459241641 /nfs/dbraw/zinc/24/16/41/459241641.db2.gz VOCODRSKRHKBSQ-HKUYNNGSSA-N 2 2 326.488 3.356 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092048 459241648 /nfs/dbraw/zinc/24/16/48/459241648.db2.gz VOCODRSKRHKBSQ-HKUYNNGSSA-N 2 2 326.488 3.356 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031385 459747194 /nfs/dbraw/zinc/74/71/94/459747194.db2.gz VFQVOIGSJAFRIS-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031385 459747200 /nfs/dbraw/zinc/74/72/00/459747200.db2.gz VFQVOIGSJAFRIS-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031385 459747206 /nfs/dbraw/zinc/74/72/06/459747206.db2.gz VFQVOIGSJAFRIS-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccnc(C#N)c3)C2)s1 ZINC000593031385 459747214 /nfs/dbraw/zinc/74/72/14/459747214.db2.gz VFQVOIGSJAFRIS-QGZVFWFLSA-N 2 2 340.496 3.277 10 30 EGEELP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601970150 460966155 /nfs/dbraw/zinc/96/61/55/460966155.db2.gz YOUJKPYMYLRKTC-UXHICEINSA-N 2 2 341.499 3.076 10 30 EGEELP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601970150 460966159 /nfs/dbraw/zinc/96/61/59/460966159.db2.gz YOUJKPYMYLRKTC-UXHICEINSA-N 2 2 341.499 3.076 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000877009707 1299113288 /nfs/dbraw/zinc/11/32/88/1299113288.db2.gz XKAICXZOWSMGLA-DLBZAZTESA-N 2 2 349.519 3.062 10 30 EGEELP CC[N@@H+](Cc1cncc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754394 1328688670 /nfs/dbraw/zinc/68/86/70/1328688670.db2.gz GKQVIRXFWSJPJM-UHFFFAOYSA-N 2 2 335.455 3.087 10 30 EGEELP CC[N@H+](Cc1cncc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754394 1328688674 /nfs/dbraw/zinc/68/86/74/1328688674.db2.gz GKQVIRXFWSJPJM-UHFFFAOYSA-N 2 2 335.455 3.087 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)[C@H](C)C1 ZINC000866267733 1330087846 /nfs/dbraw/zinc/08/78/46/1330087846.db2.gz HJGYFEGGKHWWPH-GJYPPUQNSA-N 2 2 345.487 3.051 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)[C@H](C)C1 ZINC000866267733 1330087847 /nfs/dbraw/zinc/08/78/47/1330087847.db2.gz HJGYFEGGKHWWPH-GJYPPUQNSA-N 2 2 345.487 3.051 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001324891850 1387807629 /nfs/dbraw/zinc/80/76/29/1387807629.db2.gz FBJPZGTUZKBTEW-DLBZAZTESA-N 2 2 346.519 3.161 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001324891850 1387807632 /nfs/dbraw/zinc/80/76/32/1387807632.db2.gz FBJPZGTUZKBTEW-DLBZAZTESA-N 2 2 346.519 3.161 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001267208837 1377430717 /nfs/dbraw/zinc/43/07/17/1377430717.db2.gz YUMHJXPVDOBLFM-IAGOWNOFSA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001316785634 1384581209 /nfs/dbraw/zinc/58/12/09/1384581209.db2.gz CYMNKKDNTWQITO-MSOLQXFVSA-N 2 2 346.519 3.252 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001316785634 1384581212 /nfs/dbraw/zinc/58/12/12/1384581212.db2.gz CYMNKKDNTWQITO-MSOLQXFVSA-N 2 2 346.519 3.252 10 30 EGEELP C=C(C)C[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001698660908 1406311471 /nfs/dbraw/zinc/31/14/71/1406311471.db2.gz NRLFCRKKHWRAGB-OXJNMPFZSA-N 2 2 340.471 3.179 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480693845 1392857811 /nfs/dbraw/zinc/85/78/11/1392857811.db2.gz VLONYQRNEPSESH-MSOLQXFVSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480693847 1392858128 /nfs/dbraw/zinc/85/81/28/1392858128.db2.gz VLONYQRNEPSESH-ROUUACIJSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001481333822 1393165907 /nfs/dbraw/zinc/16/59/07/1393165907.db2.gz GTHNCHCBDQHGJQ-HKUYNNGSSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001485257722 1395743441 /nfs/dbraw/zinc/74/34/41/1395743441.db2.gz SCDAHRQZUIFKFK-UHFFFAOYSA-N 2 2 340.471 3.136 10 30 EGEELP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691300610 1405196253 /nfs/dbraw/zinc/19/62/53/1405196253.db2.gz DNWWXGIOJDNJLY-DLBZAZTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001699694619 1413102640 /nfs/dbraw/zinc/10/26/40/1413102640.db2.gz LHQGANMPFNRSNZ-SFHVURJKSA-N 2 2 344.503 3.115 10 30 EGEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001700095241 1413509819 /nfs/dbraw/zinc/50/98/19/1413509819.db2.gz VIVVTPMRNPNCSS-OAHLLOKOSA-N 2 2 346.434 3.167 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732617786 1428879865 /nfs/dbraw/zinc/87/98/65/1428879865.db2.gz IOQGHVAZUSUXRR-ZBFHGGJFSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001707124712 1417210953 /nfs/dbraw/zinc/21/09/53/1417210953.db2.gz LUWBDTUSIHBKRJ-IAGOWNOFSA-N 2 2 344.503 3.010 10 30 EGEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714439931 1419171503 /nfs/dbraw/zinc/17/15/03/1419171503.db2.gz BVHKQLYXKCPXPW-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714439931 1419171505 /nfs/dbraw/zinc/17/15/05/1419171505.db2.gz BVHKQLYXKCPXPW-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715059334 1419798853 /nfs/dbraw/zinc/79/88/53/1419798853.db2.gz RJLGSJRGYYDCCO-WMLDXEAASA-N 2 2 328.460 3.095 10 30 EGEELP C=CC[NH2+]C[C@]1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC[C@H]1C ZINC001715126565 1419873019 /nfs/dbraw/zinc/87/30/19/1419873019.db2.gz CFRPVOHJYVQCFK-FOIQADDNSA-N 2 2 340.471 3.097 10 30 EGEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001715194837 1419926913 /nfs/dbraw/zinc/92/69/13/1419926913.db2.gz LDZKLJSIESFVHS-HNNXBMFYSA-N 2 2 346.862 3.061 10 30 EGEELP C=CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001716796061 1420929123 /nfs/dbraw/zinc/92/91/23/1420929123.db2.gz MUQVMSHVOLMYBJ-IAGOWNOFSA-N 2 2 344.503 3.230 10 30 EGEELP C=CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001716796061 1420929125 /nfs/dbraw/zinc/92/91/25/1420929125.db2.gz MUQVMSHVOLMYBJ-IAGOWNOFSA-N 2 2 344.503 3.230 10 30 EGEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC001716812474 1420938141 /nfs/dbraw/zinc/93/81/41/1420938141.db2.gz JGHSVILMZMSZBD-FQEVSTJZSA-N 2 2 348.450 3.060 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034046 1421087364 /nfs/dbraw/zinc/08/73/64/1421087364.db2.gz YUBHSPKRILGPNN-RBUKOAKNSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001717034046 1421087365 /nfs/dbraw/zinc/08/73/65/1421087365.db2.gz YUBHSPKRILGPNN-RBUKOAKNSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034046 1421087368 /nfs/dbraw/zinc/08/73/68/1421087368.db2.gz YUBHSPKRILGPNN-RBUKOAKNSA-N 2 2 346.519 3.378 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001717034046 1421087371 /nfs/dbraw/zinc/08/73/71/1421087371.db2.gz YUBHSPKRILGPNN-RBUKOAKNSA-N 2 2 346.519 3.378 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001724753203 1425123537 /nfs/dbraw/zinc/12/35/37/1425123537.db2.gz XQDQTQBOIOYCRN-NNPSNHGLSA-N 2 2 344.503 3.133 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001724753203 1425123539 /nfs/dbraw/zinc/12/35/39/1425123539.db2.gz XQDQTQBOIOYCRN-NNPSNHGLSA-N 2 2 344.503 3.133 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731433604 1427415165 /nfs/dbraw/zinc/41/51/65/1427415165.db2.gz HQMYMIUMLQFJHZ-INIZCTEOSA-N 2 2 328.460 3.337 10 30 EGEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001733579069 1429783237 /nfs/dbraw/zinc/78/32/37/1429783237.db2.gz PNZYHHKHIOLVBX-GBESFXJTSA-N 2 2 346.519 3.195 10 30 EGEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001733579069 1429783238 /nfs/dbraw/zinc/78/32/38/1429783238.db2.gz PNZYHHKHIOLVBX-GBESFXJTSA-N 2 2 346.519 3.195 10 30 EGEELP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767014 1429990504 /nfs/dbraw/zinc/99/05/04/1429990504.db2.gz NWKYKPORGCOGQI-MSOLQXFVSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733767014 1429990509 /nfs/dbraw/zinc/99/05/09/1429990509.db2.gz NWKYKPORGCOGQI-MSOLQXFVSA-N 2 2 349.906 3.013 10 30 EGEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001733917524 1437731153 /nfs/dbraw/zinc/73/11/53/1437731153.db2.gz DCDTXIZUGABXOZ-UHFFFAOYSA-N 2 2 346.519 3.063 10 30 EGEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001733917524 1437731154 /nfs/dbraw/zinc/73/11/54/1437731154.db2.gz DCDTXIZUGABXOZ-UHFFFAOYSA-N 2 2 346.519 3.063 10 30 EGEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001734288683 1438018281 /nfs/dbraw/zinc/01/82/81/1438018281.db2.gz AFAWEINYDUFJOK-MRXNPFEDSA-N 2 2 337.895 3.493 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001734456015 1438113413 /nfs/dbraw/zinc/11/34/13/1438113413.db2.gz WUBASXNHSVBRNL-SJLPKXTDSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001734456015 1438113414 /nfs/dbraw/zinc/11/34/14/1438113414.db2.gz WUBASXNHSVBRNL-SJLPKXTDSA-N 2 2 340.471 3.192 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187483 314369284 /nfs/dbraw/zinc/36/92/84/314369284.db2.gz BNLONGUFIJMAHC-DYESRHJHSA-N 2 2 335.451 3.047 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000540187483 314369288 /nfs/dbraw/zinc/36/92/88/314369288.db2.gz BNLONGUFIJMAHC-DYESRHJHSA-N 2 2 335.451 3.047 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000247960520 455660181 /nfs/dbraw/zinc/66/01/81/455660181.db2.gz GDXDWVJPSLBJPA-MGPUTAFESA-N 2 2 338.430 3.093 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000247960520 455660188 /nfs/dbraw/zinc/66/01/88/455660188.db2.gz GDXDWVJPSLBJPA-MGPUTAFESA-N 2 2 338.430 3.093 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842814 456355735 /nfs/dbraw/zinc/35/57/35/456355735.db2.gz VUYKTWJNFUVIQE-RHSMWYFYSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842814 456355745 /nfs/dbraw/zinc/35/57/45/456355745.db2.gz VUYKTWJNFUVIQE-RHSMWYFYSA-N 2 2 326.469 3.015 10 30 EGEELP Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c[nH+]1 ZINC000363669953 457408259 /nfs/dbraw/zinc/40/82/59/457408259.db2.gz DHNFRQUWAXNVFM-INIZCTEOSA-N 2 2 348.450 3.468 10 30 EGEELP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356382996 457597352 /nfs/dbraw/zinc/59/73/52/457597352.db2.gz BJHZOWBQDKWVDM-HNNXBMFYSA-N 2 2 325.378 3.493 10 30 EGEELP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356382996 457597354 /nfs/dbraw/zinc/59/73/54/457597354.db2.gz BJHZOWBQDKWVDM-HNNXBMFYSA-N 2 2 325.378 3.493 10 30 EGEELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000594521873 459078540 /nfs/dbraw/zinc/07/85/40/459078540.db2.gz VEINNZZEHFMVOT-LEWJYISDSA-N 2 2 341.499 3.460 10 30 EGEELP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000594521879 459078852 /nfs/dbraw/zinc/07/88/52/459078852.db2.gz VEINNZZEHFMVOT-SFTDATJTSA-N 2 2 341.499 3.460 10 30 EGEELP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000594439411 460220305 /nfs/dbraw/zinc/22/03/05/460220305.db2.gz VOOJSPDFSZETQF-AWEZNQCLSA-N 2 2 325.416 3.180 10 30 EGEELP C=CCCn1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nn1 ZINC000668171899 461156808 /nfs/dbraw/zinc/15/68/08/461156808.db2.gz YAVQFHUJQIOUTM-PMACEKPBSA-N 2 2 348.454 3.069 10 30 EGEELP O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329254133 547492785 /nfs/dbraw/zinc/49/27/85/547492785.db2.gz ABPVZVUDQILDEP-UHFFFAOYSA-N 2 2 338.455 3.253 10 30 EGEELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCOCC1 ZINC000926961842 1327799065 /nfs/dbraw/zinc/79/90/65/1327799065.db2.gz YNBVENCBKWQELL-WOJBJXKFSA-N 2 2 341.499 3.340 10 30 EGEELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCOCC1 ZINC000926961842 1327799067 /nfs/dbraw/zinc/79/90/67/1327799067.db2.gz YNBVENCBKWQELL-WOJBJXKFSA-N 2 2 341.499 3.340 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257478 1330086531 /nfs/dbraw/zinc/08/65/31/1330086531.db2.gz ILUIIDKBCSBHOJ-HKUYNNGSSA-N 2 2 349.478 3.479 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866257478 1330086532 /nfs/dbraw/zinc/08/65/32/1330086532.db2.gz ILUIIDKBCSBHOJ-HKUYNNGSSA-N 2 2 349.478 3.479 10 30 EGEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001144203859 1378698015 /nfs/dbraw/zinc/69/80/15/1378698015.db2.gz FGRJQMSTKUOJIY-SFHVURJKSA-N 2 2 329.488 3.435 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001316770517 1384569325 /nfs/dbraw/zinc/56/93/25/1384569325.db2.gz BVEHNTYKFISFMJ-QGZVFWFLSA-N 2 2 334.508 3.283 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001316770509 1384569500 /nfs/dbraw/zinc/56/95/00/1384569500.db2.gz BVEHNTYKFISFMJ-KRWDZBQOSA-N 2 2 334.508 3.283 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106079 1384869904 /nfs/dbraw/zinc/86/99/04/1384869904.db2.gz QXCWLJHMXLUJPA-MSOLQXFVSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317106079 1384869911 /nfs/dbraw/zinc/86/99/11/1384869911.db2.gz QXCWLJHMXLUJPA-MSOLQXFVSA-N 2 2 344.503 3.012 10 30 EGEELP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001698803519 1406482213 /nfs/dbraw/zinc/48/22/13/1406482213.db2.gz HGOYJXBOMWXJAQ-UHFFFAOYSA-N 2 2 346.519 3.237 10 30 EGEELP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001698803519 1406482219 /nfs/dbraw/zinc/48/22/19/1406482219.db2.gz HGOYJXBOMWXJAQ-UHFFFAOYSA-N 2 2 346.519 3.237 10 30 EGEELP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479594481 1392284202 /nfs/dbraw/zinc/28/42/02/1392284202.db2.gz KXKUBPVJBNHBDC-IAGOWNOFSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481534574 1394392709 /nfs/dbraw/zinc/39/27/09/1394392709.db2.gz BHOANLMYAWLLDF-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481534574 1394392714 /nfs/dbraw/zinc/39/27/14/1394392714.db2.gz BHOANLMYAWLLDF-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC001483992970 1395175950 /nfs/dbraw/zinc/17/59/50/1395175950.db2.gz SJQQZBUGLSVFRD-HXUWFJFHSA-N 2 2 348.450 3.060 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001496370775 1396673293 /nfs/dbraw/zinc/67/32/93/1396673293.db2.gz VWNQYDBJMLHDSL-NVXWUHKLSA-N 2 2 334.508 3.058 10 30 EGEELP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691626178 1405364565 /nfs/dbraw/zinc/36/45/65/1405364565.db2.gz WLTJWURMQBLPOG-KRWDZBQOSA-N 2 2 340.471 3.275 10 30 EGEELP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001732478992 1428605053 /nfs/dbraw/zinc/60/50/53/1428605053.db2.gz YFWMZRAWWCRUJA-FUHWJXTLSA-N 2 2 332.492 3.065 10 30 EGEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001732508085 1428627546 /nfs/dbraw/zinc/62/75/46/1428627546.db2.gz LOCLRXBGTIJKLN-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001707281240 1417290791 /nfs/dbraw/zinc/29/07/91/1417290791.db2.gz OEEZWRBEXPNOIW-GOSISDBHSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001707281240 1417290796 /nfs/dbraw/zinc/29/07/96/1417290796.db2.gz OEEZWRBEXPNOIW-GOSISDBHSA-N 2 2 346.519 3.236 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713351142 1417969890 /nfs/dbraw/zinc/96/98/90/1417969890.db2.gz YODBQQRKEYNUDH-MAUKXSAKSA-N 2 2 329.488 3.413 10 30 EGEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001713678894 1418430732 /nfs/dbraw/zinc/43/07/32/1418430732.db2.gz DTCNTHFZBXIRFF-INIZCTEOSA-N 2 2 329.488 3.413 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015694 1419744153 /nfs/dbraw/zinc/74/41/53/1419744153.db2.gz CJESOUWLXXPYEU-HOCLYGCPSA-N 2 2 326.444 3.064 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001715015694 1419744156 /nfs/dbraw/zinc/74/41/56/1419744156.db2.gz CJESOUWLXXPYEU-HOCLYGCPSA-N 2 2 326.444 3.064 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001715184370 1419917330 /nfs/dbraw/zinc/91/73/30/1419917330.db2.gz FDKIHYDUABZTRD-ULQDDVLXSA-N 2 2 340.471 3.320 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715388889 1420085820 /nfs/dbraw/zinc/08/58/20/1420085820.db2.gz VEYQASBMVCUPMF-MRXNPFEDSA-N 2 2 328.460 3.263 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829933 1420956168 /nfs/dbraw/zinc/95/61/68/1420956168.db2.gz GDRAKFUBIMAOBJ-XLIONFOSSA-N 2 2 344.503 3.012 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001716829933 1420956171 /nfs/dbraw/zinc/95/61/71/1420956171.db2.gz GDRAKFUBIMAOBJ-XLIONFOSSA-N 2 2 344.503 3.012 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844825 1420971804 /nfs/dbraw/zinc/97/18/04/1420971804.db2.gz WTEQFRXPHCVQJR-MJGOQNOKSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001716844825 1420971805 /nfs/dbraw/zinc/97/18/05/1420971805.db2.gz WTEQFRXPHCVQJR-MJGOQNOKSA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001717514277 1421451033 /nfs/dbraw/zinc/45/10/33/1421451033.db2.gz NCGHTGCTIZDVNC-KRWDZBQOSA-N 2 2 342.487 3.377 10 30 EGEELP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001717962161 1421733542 /nfs/dbraw/zinc/73/35/42/1421733542.db2.gz ZCFNOEHFCGATPT-NVXWUHKLSA-N 2 2 342.487 3.423 10 30 EGEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001733433097 1429640179 /nfs/dbraw/zinc/64/01/79/1429640179.db2.gz VXDXURLAAUNWLZ-UYAOXDASSA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944287 1424270906 /nfs/dbraw/zinc/27/09/06/1424270906.db2.gz UAXUVEHXSZFBOP-NVXWUHKLSA-N 2 2 340.471 3.407 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001724750439 1425120537 /nfs/dbraw/zinc/12/05/37/1425120537.db2.gz KKQDGYIWTTZBHH-QAQDUYKDSA-N 2 2 340.471 3.179 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725649018 1426331928 /nfs/dbraw/zinc/33/19/28/1426331928.db2.gz CKZXKVLERXBXIQ-ROUUACIJSA-N 2 2 329.488 3.461 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001734478480 1438126287 /nfs/dbraw/zinc/12/62/87/1438126287.db2.gz VCALYFJPRDCJJV-GOEBONIOSA-N 2 2 326.444 3.017 10 30 EGEELP Cc1cc(NCC2([NH+]3CCSCC3)CCCC2)c(C#N)c(C)[nH+]1 ZINC000301795519 267346300 /nfs/dbraw/zinc/34/63/00/267346300.db2.gz SUSWOVGROZWNHY-UHFFFAOYSA-N 2 2 330.501 3.344 10 30 EGEELP Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(C#N)c(C)[nH+]1 ZINC000301772638 267349200 /nfs/dbraw/zinc/34/92/00/267349200.db2.gz JUEYNFYGPMEYAP-UHFFFAOYSA-N 2 2 336.439 3.014 10 30 EGEELP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000527808774 268129133 /nfs/dbraw/zinc/12/91/33/268129133.db2.gz LEEFWMDPJKPGPI-HXUWFJFHSA-N 2 2 349.482 3.065 10 30 EGEELP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000527808774 268129134 /nfs/dbraw/zinc/12/91/34/268129134.db2.gz LEEFWMDPJKPGPI-HXUWFJFHSA-N 2 2 349.482 3.065 10 30 EGEELP C[C@@H]([NH2+]CCOc1ccccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180665357 455222928 /nfs/dbraw/zinc/22/29/28/455222928.db2.gz MPPWTBLBPGDFOE-MRXNPFEDSA-N 2 2 332.407 3.474 10 30 EGEELP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356382997 457596906 /nfs/dbraw/zinc/59/69/06/457596906.db2.gz BJHZOWBQDKWVDM-OAHLLOKOSA-N 2 2 325.378 3.493 10 30 EGEELP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356382997 457596911 /nfs/dbraw/zinc/59/69/11/457596911.db2.gz BJHZOWBQDKWVDM-OAHLLOKOSA-N 2 2 325.378 3.493 10 30 EGEELP CC1=CC[N@H+](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000358122480 457799144 /nfs/dbraw/zinc/79/91/44/457799144.db2.gz UMPXLSIKWZKPGD-UHFFFAOYSA-N 2 2 349.482 3.205 10 30 EGEELP CC1=CC[N@@H+](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000358122480 457799147 /nfs/dbraw/zinc/79/91/47/457799147.db2.gz UMPXLSIKWZKPGD-UHFFFAOYSA-N 2 2 349.482 3.205 10 30 EGEELP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000371732124 458053152 /nfs/dbraw/zinc/05/31/52/458053152.db2.gz GWJDZXYJZKHLAQ-UHFFFAOYSA-N 2 2 334.423 3.080 10 30 EGEELP COc1ccc([C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423110215 458429977 /nfs/dbraw/zinc/42/99/77/458429977.db2.gz VGQCCBJTIQRUTN-SFTDATJTSA-N 2 2 335.451 3.192 10 30 EGEELP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770361 458590182 /nfs/dbraw/zinc/59/01/82/458590182.db2.gz UOEMWDLNSJEMLS-PXNSSMCTSA-N 2 2 348.918 3.418 10 30 EGEELP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000469770361 458590186 /nfs/dbraw/zinc/59/01/86/458590186.db2.gz UOEMWDLNSJEMLS-PXNSSMCTSA-N 2 2 348.918 3.418 10 30 EGEELP N#CCCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000594506264 459067105 /nfs/dbraw/zinc/06/71/05/459067105.db2.gz OHKMEHPYACEJAQ-VQTJNVASSA-N 2 2 327.472 3.264 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694822 459198906 /nfs/dbraw/zinc/19/89/06/459198906.db2.gz YWDSIDUECFPXOD-UWJYYQICSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000558694822 459198910 /nfs/dbraw/zinc/19/89/10/459198910.db2.gz YWDSIDUECFPXOD-UWJYYQICSA-N 2 2 334.467 3.148 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092051 459241410 /nfs/dbraw/zinc/24/14/10/459241410.db2.gz VOCODRSKRHKBSQ-PKOBYXMFSA-N 2 2 326.488 3.356 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092051 459241414 /nfs/dbraw/zinc/24/14/14/459241414.db2.gz VOCODRSKRHKBSQ-PKOBYXMFSA-N 2 2 326.488 3.356 10 30 EGEELP CC(C)(C#N)c1ccccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726793 459812649 /nfs/dbraw/zinc/81/26/49/459812649.db2.gz CBASMUCJCDZOME-UHFFFAOYSA-N 2 2 341.499 3.174 10 30 EGEELP N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000610994268 460274837 /nfs/dbraw/zinc/27/48/37/460274837.db2.gz XEXRYZNKXNIPNX-JOCHJYFZSA-N 2 2 346.478 3.441 10 30 EGEELP N#Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000610994268 460274840 /nfs/dbraw/zinc/27/48/40/460274840.db2.gz XEXRYZNKXNIPNX-JOCHJYFZSA-N 2 2 346.478 3.441 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccn1 ZINC000610994268 460274845 /nfs/dbraw/zinc/27/48/45/460274845.db2.gz XEXRYZNKXNIPNX-JOCHJYFZSA-N 2 2 346.478 3.441 10 30 EGEELP N#Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000610994268 460274847 /nfs/dbraw/zinc/27/48/47/460274847.db2.gz XEXRYZNKXNIPNX-JOCHJYFZSA-N 2 2 346.478 3.441 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619723701 460422144 /nfs/dbraw/zinc/42/21/44/460422144.db2.gz FVEUWBLUKIMZEK-IBGZPJMESA-N 2 2 341.499 3.032 10 30 EGEELP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000619723701 460422156 /nfs/dbraw/zinc/42/21/56/460422156.db2.gz FVEUWBLUKIMZEK-IBGZPJMESA-N 2 2 341.499 3.032 10 30 EGEELP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656580 460850419 /nfs/dbraw/zinc/85/04/19/460850419.db2.gz PIDOMOLULPQIHQ-HUUCEWRRSA-N 2 2 328.378 3.211 10 30 EGEELP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656580 460850422 /nfs/dbraw/zinc/85/04/22/460850422.db2.gz PIDOMOLULPQIHQ-HUUCEWRRSA-N 2 2 328.378 3.211 10 30 EGEELP C=C(C)COc1cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639396064 461909726 /nfs/dbraw/zinc/90/97/26/461909726.db2.gz GNBXNRCQQKPQDK-SFHVURJKSA-N 2 2 330.472 3.176 10 30 EGEELP C=C(C)COc1cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639396064 461909733 /nfs/dbraw/zinc/90/97/33/461909733.db2.gz GNBXNRCQQKPQDK-SFHVURJKSA-N 2 2 330.472 3.176 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000877009710 1299113672 /nfs/dbraw/zinc/11/36/72/1299113672.db2.gz XKAICXZOWSMGLA-SJORKVTESA-N 2 2 349.519 3.062 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809288 1328706922 /nfs/dbraw/zinc/70/69/22/1328706922.db2.gz XJWDVSMVQAHKGQ-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809288 1328706924 /nfs/dbraw/zinc/70/69/24/1328706924.db2.gz XJWDVSMVQAHKGQ-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809288 1328706930 /nfs/dbraw/zinc/70/69/30/1328706930.db2.gz XJWDVSMVQAHKGQ-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809288 1328706932 /nfs/dbraw/zinc/70/69/32/1328706932.db2.gz XJWDVSMVQAHKGQ-DYESRHJHSA-N 2 2 334.467 3.438 10 30 EGEELP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925440448 1325150156 /nfs/dbraw/zinc/15/01/56/1325150156.db2.gz RTVBWEIZGDRCCA-FCEWJHQRSA-N 2 2 345.487 3.194 10 30 EGEELP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925440448 1325150168 /nfs/dbraw/zinc/15/01/68/1325150168.db2.gz RTVBWEIZGDRCCA-FCEWJHQRSA-N 2 2 345.487 3.194 10 30 EGEELP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925440446 1325150266 /nfs/dbraw/zinc/15/02/66/1325150266.db2.gz RTVBWEIZGDRCCA-BXWFABGCSA-N 2 2 345.487 3.194 10 30 EGEELP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790131 1325302828 /nfs/dbraw/zinc/30/28/28/1325302828.db2.gz DPWHSUAQYGLDNO-ICSRJNTNSA-N 2 2 339.483 3.074 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351060 1330100728 /nfs/dbraw/zinc/10/07/28/1330100728.db2.gz GQZRTYFVUNDEJX-WMZOPIPTSA-N 2 2 335.451 3.437 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351060 1330100729 /nfs/dbraw/zinc/10/07/29/1330100729.db2.gz GQZRTYFVUNDEJX-WMZOPIPTSA-N 2 2 335.451 3.437 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129076 1388393405 /nfs/dbraw/zinc/39/34/05/1388393405.db2.gz FPQRSKWNLSJVLQ-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129076 1388393409 /nfs/dbraw/zinc/39/34/09/1388393409.db2.gz FPQRSKWNLSJVLQ-OALUTQOASA-N 2 2 346.519 3.407 10 30 EGEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001316700918 1384529597 /nfs/dbraw/zinc/52/95/97/1384529597.db2.gz XSELDRSWSKPGMX-QYZOEREBSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001317687540 1385399669 /nfs/dbraw/zinc/39/96/69/1385399669.db2.gz SANHICFTEWWXCY-QGZVFWFLSA-N 2 2 346.519 3.110 10 30 EGEELP C=CCCC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001179232506 1386427669 /nfs/dbraw/zinc/42/76/69/1386427669.db2.gz CSTJGKDUFPICFP-UHFFFAOYSA-N 2 2 332.488 3.232 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC001332389216 1390103706 /nfs/dbraw/zinc/10/37/06/1390103706.db2.gz XAFRDIIHINCVAB-DOTOQJQBSA-N 2 2 346.519 3.108 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373673 1392716168 /nfs/dbraw/zinc/71/61/68/1392716168.db2.gz RJRPLFMJXYKJDG-RTBURBONSA-N 2 2 344.503 3.085 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480373673 1392716170 /nfs/dbraw/zinc/71/61/70/1392716170.db2.gz RJRPLFMJXYKJDG-RTBURBONSA-N 2 2 344.503 3.085 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767561 1394511248 /nfs/dbraw/zinc/51/12/48/1394511248.db2.gz GRBAXTQPSDRVIV-WBVHZDCISA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767561 1394511250 /nfs/dbraw/zinc/51/12/50/1394511250.db2.gz GRBAXTQPSDRVIV-WBVHZDCISA-N 2 2 340.471 3.454 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001484828184 1395565716 /nfs/dbraw/zinc/56/57/16/1395565716.db2.gz BHXYDEHYSSMPQT-FQEVSTJZSA-N 2 2 346.519 3.168 10 30 EGEELP CCCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001484828184 1395565719 /nfs/dbraw/zinc/56/57/19/1395565719.db2.gz BHXYDEHYSSMPQT-FQEVSTJZSA-N 2 2 346.519 3.168 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992876 1406785665 /nfs/dbraw/zinc/78/56/65/1406785665.db2.gz LQVURNFDPGCUIZ-QGZVFWFLSA-N 2 2 340.471 3.231 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992876 1406785668 /nfs/dbraw/zinc/78/56/68/1406785668.db2.gz LQVURNFDPGCUIZ-QGZVFWFLSA-N 2 2 340.471 3.231 10 30 EGEELP C=C(C)CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001485456967 1395928005 /nfs/dbraw/zinc/92/80/05/1395928005.db2.gz FMYAQCDOTYUFOF-QGZVFWFLSA-N 2 2 332.492 3.209 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365916 1403707755 /nfs/dbraw/zinc/70/77/55/1403707755.db2.gz QUJSNOPEQSRXIV-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001689365916 1403707761 /nfs/dbraw/zinc/70/77/61/1403707761.db2.gz QUJSNOPEQSRXIV-DLBZAZTESA-N 2 2 332.492 3.017 10 30 EGEELP C=CCCC[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001692013644 1405733058 /nfs/dbraw/zinc/73/30/58/1405733058.db2.gz LHWXYVXPPQWBDI-UHFFFAOYSA-N 2 2 340.471 3.313 10 30 EGEELP C=CCCC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001692013644 1405733063 /nfs/dbraw/zinc/73/30/63/1405733063.db2.gz LHWXYVXPPQWBDI-UHFFFAOYSA-N 2 2 340.471 3.313 10 30 EGEELP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001732302049 1428519700 /nfs/dbraw/zinc/51/97/00/1428519700.db2.gz UDPSVTQEWFSEOY-MRXNPFEDSA-N 2 2 346.519 3.260 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001713676240 1418428275 /nfs/dbraw/zinc/42/82/75/1418428275.db2.gz AMHPFOKFKPUZAM-HNNXBMFYSA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001716761843 1420908866 /nfs/dbraw/zinc/90/88/66/1420908866.db2.gz QFUQRHJDJRPUGM-CRAIPNDOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001717332701 1421267850 /nfs/dbraw/zinc/26/78/50/1421267850.db2.gz YMYCUAAMBDMLMB-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001717332701 1421267855 /nfs/dbraw/zinc/26/78/55/1421267855.db2.gz YMYCUAAMBDMLMB-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001733328184 1429513289 /nfs/dbraw/zinc/51/32/89/1429513289.db2.gz PSIPDLRTJCQSIO-GOEBONIOSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733341640 1429525185 /nfs/dbraw/zinc/52/51/85/1429525185.db2.gz FUDDNYGZEVFKMQ-YJBOKZPZSA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001722944288 1424270841 /nfs/dbraw/zinc/27/08/41/1424270841.db2.gz UAXUVEHXSZFBOP-RDJZCZTQSA-N 2 2 340.471 3.407 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847049 1428072612 /nfs/dbraw/zinc/07/26/12/1428072612.db2.gz PNTMHPSPIMSCJF-WBVHZDCISA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847049 1428072616 /nfs/dbraw/zinc/07/26/16/1428072616.db2.gz PNTMHPSPIMSCJF-WBVHZDCISA-N 2 2 340.471 3.049 10 30 EGEELP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001733806507 1430077773 /nfs/dbraw/zinc/07/77/73/1430077773.db2.gz PCGAIHFNCLNAFR-KRWDZBQOSA-N 2 2 332.492 3.161 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCC(C#N)CC3)CC2)cc1 ZINC000282448346 270040195 /nfs/dbraw/zinc/04/01/95/270040195.db2.gz UYLAWLKZQBAVAP-UHFFFAOYSA-N 2 2 336.483 3.442 10 30 EGEELP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399416550 324296018 /nfs/dbraw/zinc/29/60/18/324296018.db2.gz XXAFPWYQIHZJJZ-IHWFROFDSA-N 2 2 332.451 3.291 10 30 EGEELP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399416550 324296024 /nfs/dbraw/zinc/29/60/24/324296024.db2.gz XXAFPWYQIHZJJZ-IHWFROFDSA-N 2 2 332.451 3.291 10 30 EGEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000190465567 455324667 /nfs/dbraw/zinc/32/46/67/455324667.db2.gz FOKUQMODZQTMNF-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000190465567 455324668 /nfs/dbraw/zinc/32/46/68/455324668.db2.gz FOKUQMODZQTMNF-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000190465567 455324672 /nfs/dbraw/zinc/32/46/72/455324672.db2.gz FOKUQMODZQTMNF-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000190465567 455324675 /nfs/dbraw/zinc/32/46/75/455324675.db2.gz FOKUQMODZQTMNF-GOSISDBHSA-N 2 2 340.496 3.277 10 30 EGEELP C[NH+](C)[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCSC1 ZINC000271089339 456122414 /nfs/dbraw/zinc/12/24/14/456122414.db2.gz VOISVHYTBGJDAI-MHJFOBGBSA-N 2 2 343.540 3.417 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842820 456355872 /nfs/dbraw/zinc/35/58/72/456355872.db2.gz VUYKTWJNFUVIQE-YOEHRIQHSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842820 456355875 /nfs/dbraw/zinc/35/58/75/456355875.db2.gz VUYKTWJNFUVIQE-YOEHRIQHSA-N 2 2 326.469 3.015 10 30 EGEELP C=CCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1OC ZINC000378341995 457391370 /nfs/dbraw/zinc/39/13/70/457391370.db2.gz MQBNMKOTAALCOT-UHFFFAOYSA-N 2 2 327.428 3.363 10 30 EGEELP C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459414322 458363418 /nfs/dbraw/zinc/36/34/18/458363418.db2.gz YKCXZJQJEZYMPO-GDBMZVCRSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459414322 458363422 /nfs/dbraw/zinc/36/34/22/458363422.db2.gz YKCXZJQJEZYMPO-GDBMZVCRSA-N 2 2 342.443 3.209 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111317 459247952 /nfs/dbraw/zinc/24/79/52/459247952.db2.gz OXWDGCYKQUBBGF-PGRDOPGGSA-N 2 2 348.494 3.025 10 30 EGEELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cccc(C#N)c1 ZINC000595111317 459247955 /nfs/dbraw/zinc/24/79/55/459247955.db2.gz OXWDGCYKQUBBGF-PGRDOPGGSA-N 2 2 348.494 3.025 10 30 EGEELP COc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1C#N ZINC000595507885 459328810 /nfs/dbraw/zinc/32/88/10/459328810.db2.gz CDHRLCMMVLAVBR-UHFFFAOYSA-N 2 2 335.451 3.321 10 30 EGEELP C=CCOc1ccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)cc1 ZINC000628475910 460431009 /nfs/dbraw/zinc/43/10/09/460431009.db2.gz JVFDQYFCYWPTKC-UHFFFAOYSA-N 2 2 344.499 3.328 10 30 EGEELP C=CCC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@H]1CCCO1 ZINC000883212568 1302309137 /nfs/dbraw/zinc/30/91/37/1302309137.db2.gz KRFQUCSYJKBLKR-GBESFXJTSA-N 2 2 344.503 3.148 10 30 EGEELP C=CCC[C@H](COc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883236908 1302325728 /nfs/dbraw/zinc/32/57/28/1302325728.db2.gz MXQDKQMFLZPFJV-UXHICEINSA-N 2 2 344.499 3.243 10 30 EGEELP CC1([NH+]2CCC2)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000895669747 1309457517 /nfs/dbraw/zinc/45/75/17/1309457517.db2.gz BBMZVRXKENERJC-UHFFFAOYSA-N 2 2 327.472 3.429 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)cc1 ZINC000923028529 1322678428 /nfs/dbraw/zinc/67/84/28/1322678428.db2.gz QXRKLLQADKCNHY-HXUWFJFHSA-N 2 2 339.483 3.214 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351057 1330100670 /nfs/dbraw/zinc/10/06/70/1330100670.db2.gz GQZRTYFVUNDEJX-AEFFLSMTSA-N 2 2 335.451 3.437 10 30 EGEELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351057 1330100672 /nfs/dbraw/zinc/10/06/72/1330100672.db2.gz GQZRTYFVUNDEJX-AEFFLSMTSA-N 2 2 335.451 3.437 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266326104 1377273822 /nfs/dbraw/zinc/27/38/22/1377273822.db2.gz XRDMNMNHZDBKLX-MRXNPFEDSA-N 2 2 328.460 3.337 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266326104 1377273824 /nfs/dbraw/zinc/27/38/24/1377273824.db2.gz XRDMNMNHZDBKLX-MRXNPFEDSA-N 2 2 328.460 3.337 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001316699443 1384528830 /nfs/dbraw/zinc/52/88/30/1384528830.db2.gz HDSFNXIGINYSBX-QYZOEREBSA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001316699442 1384529081 /nfs/dbraw/zinc/52/90/81/1384529081.db2.gz HDSFNXIGINYSBX-CEXWTWQISA-N 2 2 346.519 3.263 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317005000 1384765463 /nfs/dbraw/zinc/76/54/63/1384765463.db2.gz DWXHFKDAVOHPDA-KRWDZBQOSA-N 2 2 346.519 3.258 10 30 EGEELP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317005000 1384765466 /nfs/dbraw/zinc/76/54/66/1384765466.db2.gz DWXHFKDAVOHPDA-KRWDZBQOSA-N 2 2 346.519 3.258 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317012788 1384776682 /nfs/dbraw/zinc/77/66/82/1384776682.db2.gz LBGPHVRZCGHEJA-KSSFIOAISA-N 2 2 340.471 3.095 10 30 EGEELP C=CCCC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317218001 1384998018 /nfs/dbraw/zinc/99/80/18/1384998018.db2.gz ZFWCMIIWDJITOA-UHFFFAOYSA-N 2 2 326.444 3.160 10 30 EGEELP C=C(C)C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001317721057 1385420888 /nfs/dbraw/zinc/42/08/88/1385420888.db2.gz RCYDUBSFOLMSKS-LJQANCHMSA-N 2 2 334.423 3.200 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001332149648 1390007765 /nfs/dbraw/zinc/00/77/65/1390007765.db2.gz UVWXKOYYNHRHRK-YTQUADARSA-N 2 2 346.519 3.139 10 30 EGEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001479736093 1392347835 /nfs/dbraw/zinc/34/78/35/1392347835.db2.gz QXDCKHPZSPGVGF-OALUTQOASA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001479736093 1392347837 /nfs/dbraw/zinc/34/78/37/1392347837.db2.gz QXDCKHPZSPGVGF-OALUTQOASA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480738511 1392904210 /nfs/dbraw/zinc/90/42/10/1392904210.db2.gz GDQDUFNBMWFIIP-QGZVFWFLSA-N 2 2 346.519 3.357 10 30 EGEELP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480738511 1392904215 /nfs/dbraw/zinc/90/42/15/1392904215.db2.gz GDQDUFNBMWFIIP-QGZVFWFLSA-N 2 2 346.519 3.357 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481534575 1394392518 /nfs/dbraw/zinc/39/25/18/1394392518.db2.gz BHOANLMYAWLLDF-YJBOKZPZSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481534575 1394392521 /nfs/dbraw/zinc/39/25/21/1394392521.db2.gz BHOANLMYAWLLDF-YJBOKZPZSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048955 1395212932 /nfs/dbraw/zinc/21/29/32/1395212932.db2.gz IRDICXDELZAGLA-LIRRHRJNSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484048955 1395212938 /nfs/dbraw/zinc/21/29/38/1395212938.db2.gz IRDICXDELZAGLA-LIRRHRJNSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001699010238 1406837021 /nfs/dbraw/zinc/83/70/21/1406837021.db2.gz UVFLPEQVEIXNCW-BEFAXECRSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001699010238 1406837025 /nfs/dbraw/zinc/83/70/25/1406837025.db2.gz UVFLPEQVEIXNCW-BEFAXECRSA-N 2 2 338.455 3.066 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691619938 1405360984 /nfs/dbraw/zinc/36/09/84/1405360984.db2.gz CYXMDIFWLFIVOP-SJLPKXTDSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691619938 1405360986 /nfs/dbraw/zinc/36/09/86/1405360986.db2.gz CYXMDIFWLFIVOP-SJLPKXTDSA-N 2 2 332.492 3.058 10 30 EGEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968262 1405683905 /nfs/dbraw/zinc/68/39/05/1405683905.db2.gz FXMYRMYGEUUDPR-IAGOWNOFSA-N 2 2 340.471 3.083 10 30 EGEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691968262 1405683910 /nfs/dbraw/zinc/68/39/10/1405683910.db2.gz FXMYRMYGEUUDPR-IAGOWNOFSA-N 2 2 340.471 3.083 10 30 EGEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001732524742 1428643885 /nfs/dbraw/zinc/64/38/85/1428643885.db2.gz CVVMYGQEVWLVCH-IAGOWNOFSA-N 2 2 340.471 3.131 10 30 EGEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001732524741 1428643917 /nfs/dbraw/zinc/64/39/17/1428643917.db2.gz CVVMYGQEVWLVCH-DLBZAZTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001732549431 1428728814 /nfs/dbraw/zinc/72/88/14/1428728814.db2.gz RAIVHQBLRRUYBS-UHFFFAOYSA-N 2 2 340.471 3.313 10 30 EGEELP C=CCC[N@H+](C)CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001732549431 1428728818 /nfs/dbraw/zinc/72/88/18/1428728818.db2.gz RAIVHQBLRRUYBS-UHFFFAOYSA-N 2 2 340.471 3.313 10 30 EGEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001713779840 1418595635 /nfs/dbraw/zinc/59/56/35/1418595635.db2.gz NFEAFQSRABEIRR-LJQANCHMSA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001714069700 1418865780 /nfs/dbraw/zinc/86/57/80/1418865780.db2.gz GLOATGQMWBZTGI-FUHWJXTLSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714856436 1419573335 /nfs/dbraw/zinc/57/33/35/1419573335.db2.gz PBTFHBSXJRSMGS-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714856436 1419573337 /nfs/dbraw/zinc/57/33/37/1419573337.db2.gz PBTFHBSXJRSMGS-MRXNPFEDSA-N 2 2 326.444 3.066 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715033912 1419767522 /nfs/dbraw/zinc/76/75/22/1419767522.db2.gz VDHCIUXLNQVEJD-INIZCTEOSA-N 2 2 334.508 3.190 10 30 EGEELP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001715033912 1419767525 /nfs/dbraw/zinc/76/75/25/1419767525.db2.gz VDHCIUXLNQVEJD-INIZCTEOSA-N 2 2 334.508 3.190 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716063510 1420523077 /nfs/dbraw/zinc/52/30/77/1420523077.db2.gz NYWNHUMWYJABOA-HOCLYGCPSA-N 2 2 326.444 3.017 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001716712889 1420865513 /nfs/dbraw/zinc/86/55/13/1420865513.db2.gz CLSNWWJDEDFGGZ-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001716712889 1420865515 /nfs/dbraw/zinc/86/55/15/1420865515.db2.gz CLSNWWJDEDFGGZ-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=C(C)C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001716712889 1420865517 /nfs/dbraw/zinc/86/55/17/1420865517.db2.gz CLSNWWJDEDFGGZ-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=C(C)C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001716712889 1420865519 /nfs/dbraw/zinc/86/55/19/1420865519.db2.gz CLSNWWJDEDFGGZ-UHFFFAOYSA-N 2 2 332.492 3.059 10 30 EGEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001716885427 1421009174 /nfs/dbraw/zinc/00/91/74/1421009174.db2.gz PXPXHYMHFJAEQU-GOSISDBHSA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001716899975 1421030104 /nfs/dbraw/zinc/03/01/04/1421030104.db2.gz JVOWPOUYZTXADT-HKUYNNGSSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001716899975 1421030105 /nfs/dbraw/zinc/03/01/05/1421030105.db2.gz JVOWPOUYZTXADT-HKUYNNGSSA-N 2 2 332.492 3.019 10 30 EGEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001733567068 1429769411 /nfs/dbraw/zinc/76/94/11/1429769411.db2.gz AOUJZVVIHWYWAG-WGSAOQKQSA-N 2 2 341.499 3.156 10 30 EGEELP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724710125 1425065549 /nfs/dbraw/zinc/06/55/49/1425065549.db2.gz HKFDMACYWRVNOY-WMZOPIPTSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001725727976 1426392712 /nfs/dbraw/zinc/39/27/12/1426392712.db2.gz INJTURWEWADFCK-UHFFFAOYSA-N 2 2 342.487 3.391 10 30 EGEELP C=C(C)CC[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001725727976 1426392717 /nfs/dbraw/zinc/39/27/17/1426392717.db2.gz INJTURWEWADFCK-UHFFFAOYSA-N 2 2 342.487 3.391 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001734478482 1438126318 /nfs/dbraw/zinc/12/63/18/1438126318.db2.gz VCALYFJPRDCJJV-ZBFHGGJFSA-N 2 2 326.444 3.017 10 30 EGEELP CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271917320 265916938 /nfs/dbraw/zinc/91/69/38/265916938.db2.gz ZFHQULXTNKDJRI-PZJWPPBQSA-N 2 2 341.499 3.173 10 30 EGEELP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc2)CC1 ZINC000600721608 460579602 /nfs/dbraw/zinc/57/96/02/460579602.db2.gz UYBWZDZYLJUNNP-PMACEKPBSA-N 2 2 341.499 3.104 10 30 EGEELP CCC[N@H+](C)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739998 460586413 /nfs/dbraw/zinc/58/64/13/460586413.db2.gz GJTIPMHKHCPERH-ZWKOTPCHSA-N 2 2 349.906 3.367 10 30 EGEELP CCC[N@@H+](C)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000600739998 460586419 /nfs/dbraw/zinc/58/64/19/460586419.db2.gz GJTIPMHKHCPERH-ZWKOTPCHSA-N 2 2 349.906 3.367 10 30 EGEELP CCc1[nH+]c2cc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)ccc2n1C1CC1 ZINC000600743099 460588213 /nfs/dbraw/zinc/58/82/13/460588213.db2.gz ZMIXTMJTMBBDKP-INIZCTEOSA-N 2 2 338.455 3.078 10 30 EGEELP C[C@@H](C#N)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000354045556 457031426 /nfs/dbraw/zinc/03/14/26/457031426.db2.gz WAEXMNIKNZIKTD-KRWDZBQOSA-N 2 2 340.515 3.341 10 30 EGEELP C[C@@H](C#N)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000354045556 457031431 /nfs/dbraw/zinc/03/14/31/457031431.db2.gz WAEXMNIKNZIKTD-KRWDZBQOSA-N 2 2 340.515 3.341 10 30 EGEELP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000346701228 457118805 /nfs/dbraw/zinc/11/88/05/457118805.db2.gz RQVKVQPZINOTTF-XLIONFOSSA-N 2 2 335.451 3.190 10 30 EGEELP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000346701228 457118813 /nfs/dbraw/zinc/11/88/13/457118813.db2.gz RQVKVQPZINOTTF-XLIONFOSSA-N 2 2 335.451 3.190 10 30 EGEELP C=CCc1cc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc(OC)c1O ZINC000639378149 461897216 /nfs/dbraw/zinc/89/72/16/461897216.db2.gz CNMJPBCAEYMJCH-UHFFFAOYSA-N 2 2 332.488 3.436 10 30 EGEELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000895827235 1309540757 /nfs/dbraw/zinc/54/07/57/1309540757.db2.gz IFIGRMDUZNWREI-KRWDZBQOSA-N 2 2 327.472 3.428 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926785485 1327716487 /nfs/dbraw/zinc/71/64/87/1327716487.db2.gz LREGAVFGSZZCNR-CTNGQTDRSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926785485 1327716491 /nfs/dbraw/zinc/71/64/91/1327716491.db2.gz LREGAVFGSZZCNR-CTNGQTDRSA-N 2 2 338.499 3.134 10 30 EGEELP CC(C)([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000865743970 1329734228 /nfs/dbraw/zinc/73/42/28/1329734228.db2.gz LAYUWHNPGSZUCY-FQEVSTJZSA-N 2 2 341.499 3.460 10 30 EGEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001326524644 1388229301 /nfs/dbraw/zinc/22/93/01/1388229301.db2.gz DYKWHPAYQHUCMD-KOMQPUFPSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129073 1388392740 /nfs/dbraw/zinc/39/27/40/1388392740.db2.gz FPQRSKWNLSJVLQ-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001327129073 1388392745 /nfs/dbraw/zinc/39/27/45/1388392745.db2.gz FPQRSKWNLSJVLQ-MOPGFXCFSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001284001512 1379353569 /nfs/dbraw/zinc/35/35/69/1379353569.db2.gz QZLIIYGUJPLSTN-WMZOPIPTSA-N 2 2 338.455 3.031 10 30 EGEELP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001284001507 1379353793 /nfs/dbraw/zinc/35/37/93/1379353793.db2.gz QZLIIYGUJPLSTN-FUHWJXTLSA-N 2 2 338.455 3.031 10 30 EGEELP C=CC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001171847072 1384659989 /nfs/dbraw/zinc/65/99/89/1384659989.db2.gz IIZHGFGAJDAZOH-HXUWFJFHSA-N 2 2 327.516 3.487 10 30 EGEELP C=CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001171847072 1384659997 /nfs/dbraw/zinc/65/99/97/1384659997.db2.gz IIZHGFGAJDAZOH-HXUWFJFHSA-N 2 2 327.516 3.487 10 30 EGEELP CCCC[C@H](ON=C(C)C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320284025 1386568493 /nfs/dbraw/zinc/56/84/93/1386568493.db2.gz LKQRCIKAJODUDL-KRWDZBQOSA-N 2 2 343.431 3.485 10 30 EGEELP CCCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001330476924 1389426427 /nfs/dbraw/zinc/42/64/27/1389426427.db2.gz XQXCGIMQRJPEDS-OTWHNJEPSA-N 2 2 346.519 3.070 10 30 EGEELP CCCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001330476924 1389426428 /nfs/dbraw/zinc/42/64/28/1389426428.db2.gz XQXCGIMQRJPEDS-OTWHNJEPSA-N 2 2 346.519 3.070 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001331903275 1389903696 /nfs/dbraw/zinc/90/36/96/1389903696.db2.gz OWEZQFBPJCHRFA-DLBZAZTESA-N 2 2 342.487 3.497 10 30 EGEELP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001479994838 1392526757 /nfs/dbraw/zinc/52/67/57/1392526757.db2.gz COXMJCQFHQIFHY-MRXNPFEDSA-N 2 2 332.492 3.010 10 30 EGEELP C=CC[NH2+]C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC[C@@H]1C ZINC001481959443 1394620143 /nfs/dbraw/zinc/62/01/43/1394620143.db2.gz XPAFGIYLJVPECV-LIRRHRJNSA-N 2 2 326.444 3.017 10 30 EGEELP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001689094797 1396902178 /nfs/dbraw/zinc/90/21/78/1396902178.db2.gz WFIOUWFHSREKOW-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713143729 1417725942 /nfs/dbraw/zinc/72/59/42/1417725942.db2.gz LYAPNNRXAWPKLK-GBESFXJTSA-N 2 2 344.503 3.256 10 30 EGEELP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001713143729 1417725945 /nfs/dbraw/zinc/72/59/45/1417725945.db2.gz LYAPNNRXAWPKLK-GBESFXJTSA-N 2 2 344.503 3.256 10 30 EGEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713392225 1418004442 /nfs/dbraw/zinc/00/44/42/1418004442.db2.gz POIQRKICLBJVIH-GOSISDBHSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001713392225 1418004448 /nfs/dbraw/zinc/00/44/48/1418004448.db2.gz POIQRKICLBJVIH-GOSISDBHSA-N 2 2 340.471 3.145 10 30 EGEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001714802918 1419516159 /nfs/dbraw/zinc/51/61/59/1419516159.db2.gz CVSBQYMRQILXMU-MJGOQNOKSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001716635039 1420793172 /nfs/dbraw/zinc/79/31/72/1420793172.db2.gz JFRTZIQKHXWLJM-AEFFLSMTSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001716635040 1420793189 /nfs/dbraw/zinc/79/31/89/1420793189.db2.gz JFRTZIQKHXWLJM-FUHWJXTLSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001716885428 1421009059 /nfs/dbraw/zinc/00/90/59/1421009059.db2.gz PXPXHYMHFJAEQU-SFHVURJKSA-N 2 2 346.519 3.265 10 30 EGEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001717123215 1421126148 /nfs/dbraw/zinc/12/61/48/1421126148.db2.gz CEVVWVADRDOYFC-IYARVYRRSA-N 2 2 329.488 3.461 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001717332699 1421268049 /nfs/dbraw/zinc/26/80/49/1421268049.db2.gz YMYCUAAMBDMLMB-CRAIPNDOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001717332699 1421268052 /nfs/dbraw/zinc/26/80/52/1421268052.db2.gz YMYCUAAMBDMLMB-CRAIPNDOSA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001733432032 1429639204 /nfs/dbraw/zinc/63/92/04/1429639204.db2.gz MQCDDOAWVKJYHE-JXFKEZNVSA-N 2 2 346.519 3.110 10 30 EGEELP CCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001725613067 1426273932 /nfs/dbraw/zinc/27/39/32/1426273932.db2.gz AUTBXJQNPDISOF-KZNAEPCWSA-N 2 2 346.519 3.139 10 30 EGEELP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001725793172 1426479007 /nfs/dbraw/zinc/47/90/07/1426479007.db2.gz BEZPOMTXSSAGBP-KRWDZBQOSA-N 2 2 344.503 3.161 10 30 EGEELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612406463 460622590 /nfs/dbraw/zinc/62/25/90/460622590.db2.gz MUCNJCYFJRHJGC-NRFANRHFSA-N 2 2 340.515 3.344 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897765 455723083 /nfs/dbraw/zinc/72/30/83/455723083.db2.gz QDHCOLFUCIMKIM-GHTZIAJQSA-N 3 2 327.516 3.137 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268897765 455723090 /nfs/dbraw/zinc/72/30/90/455723090.db2.gz QDHCOLFUCIMKIM-GHTZIAJQSA-N 3 2 327.516 3.137 10 30 EGEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122395 457466332 /nfs/dbraw/zinc/46/63/32/457466332.db2.gz GXFGZQOPESVLAF-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122395 457466337 /nfs/dbraw/zinc/46/63/37/457466337.db2.gz GXFGZQOPESVLAF-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122395 457466340 /nfs/dbraw/zinc/46/63/40/457466340.db2.gz GXFGZQOPESVLAF-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC[C@H]21 ZINC000356122395 457466347 /nfs/dbraw/zinc/46/63/47/457466347.db2.gz GXFGZQOPESVLAF-NVXWUHKLSA-N 2 2 337.389 3.493 10 30 EGEELP C=CCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCC1 ZINC000449968468 458436350 /nfs/dbraw/zinc/43/63/50/458436350.db2.gz YLWHDTDKTMSBDA-UHFFFAOYSA-N 2 2 347.547 3.189 10 30 EGEELP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373492138 458508816 /nfs/dbraw/zinc/50/88/16/458508816.db2.gz BIKXBSWVEZMIHQ-UHFFFAOYSA-N 2 2 337.389 3.453 10 30 EGEELP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601970151 460965898 /nfs/dbraw/zinc/96/58/98/460965898.db2.gz YOUJKPYMYLRKTC-VQTJNVASSA-N 2 2 341.499 3.076 10 30 EGEELP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601970151 460965907 /nfs/dbraw/zinc/96/59/07/460965907.db2.gz YOUJKPYMYLRKTC-VQTJNVASSA-N 2 2 341.499 3.076 10 30 EGEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001324762378 1387763077 /nfs/dbraw/zinc/76/30/77/1387763077.db2.gz IIKIGXYDULQJPQ-FQEVSTJZSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001316771007 1384569277 /nfs/dbraw/zinc/56/92/77/1384569277.db2.gz RBASIHNFGODKDP-RBUKOAKNSA-N 2 2 346.519 3.379 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001332386564 1390102383 /nfs/dbraw/zinc/10/23/83/1390102383.db2.gz GBTKMNLUFWDAJU-KSSFIOAISA-N 2 2 340.471 3.358 10 30 EGEELP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001332949784 1390222605 /nfs/dbraw/zinc/22/26/05/1390222605.db2.gz MIGIKCJBLMQMBR-IEBWSBKVSA-N 2 2 346.519 3.263 10 30 EGEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731556 1392894364 /nfs/dbraw/zinc/89/43/64/1392894364.db2.gz PFQSGIYXAOJQPJ-OALUTQOASA-N 2 2 346.519 3.359 10 30 EGEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480731556 1392894367 /nfs/dbraw/zinc/89/43/67/1392894367.db2.gz PFQSGIYXAOJQPJ-OALUTQOASA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001691300613 1405196197 /nfs/dbraw/zinc/19/61/97/1405196197.db2.gz DNWWXGIOJDNJLY-SJORKVTESA-N 2 2 340.471 3.131 10 30 EGEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001691482425 1405295393 /nfs/dbraw/zinc/29/53/93/1405295393.db2.gz GYNCFCGUHFDORL-FUHWJXTLSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001691482425 1405295403 /nfs/dbraw/zinc/29/54/03/1405295403.db2.gz GYNCFCGUHFDORL-FUHWJXTLSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001714401748 1419144376 /nfs/dbraw/zinc/14/43/76/1419144376.db2.gz QOSJTSXANKNUBN-ZWKOTPCHSA-N 2 2 340.471 3.240 10 30 EGEELP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001716899976 1421030032 /nfs/dbraw/zinc/03/00/32/1421030032.db2.gz JVOWPOUYZTXADT-IEBWSBKVSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001716899976 1421030033 /nfs/dbraw/zinc/03/00/33/1421030033.db2.gz JVOWPOUYZTXADT-IEBWSBKVSA-N 2 2 332.492 3.019 10 30 EGEELP C=C(C)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001717524706 1421460123 /nfs/dbraw/zinc/46/01/23/1421460123.db2.gz NUNQCGLBJKUKPM-UHFFFAOYSA-N 2 2 326.444 3.161 10 30 EGEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC001724072816 1424647333 /nfs/dbraw/zinc/64/73/33/1424647333.db2.gz VRUCWVTYZQENHB-IBGZPJMESA-N 2 2 348.450 3.129 10 30 EGEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324037 1424811208 /nfs/dbraw/zinc/81/12/08/1424811208.db2.gz OGMNWYJQGOBBEM-QUCCMNQESA-N 2 2 346.519 3.265 10 30 EGEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001724324037 1424811212 /nfs/dbraw/zinc/81/12/12/1424811212.db2.gz OGMNWYJQGOBBEM-QUCCMNQESA-N 2 2 346.519 3.265 10 30 EGEELP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550219 1427569154 /nfs/dbraw/zinc/56/91/54/1427569154.db2.gz FQFJRXPEDKRFCB-OALUTQOASA-N 2 2 344.503 3.085 10 30 EGEELP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001731550219 1427569159 /nfs/dbraw/zinc/56/91/59/1427569159.db2.gz FQFJRXPEDKRFCB-OALUTQOASA-N 2 2 344.503 3.085 10 30 EGEELP CC1CC[NH+]([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc2)CC1 ZINC000600721609 460579042 /nfs/dbraw/zinc/57/90/42/460579042.db2.gz UYBWZDZYLJUNNP-UXHICEINSA-N 2 2 341.499 3.104 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000154298514 454882328 /nfs/dbraw/zinc/88/23/28/454882328.db2.gz XNMSEQUQLSDRPM-GDBMZVCRSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000154298514 454882331 /nfs/dbraw/zinc/88/23/31/454882331.db2.gz XNMSEQUQLSDRPM-GDBMZVCRSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298514 454882335 /nfs/dbraw/zinc/88/23/35/454882335.db2.gz XNMSEQUQLSDRPM-GDBMZVCRSA-N 2 2 340.389 3.351 10 30 EGEELP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000154298514 454882338 /nfs/dbraw/zinc/88/23/38/454882338.db2.gz XNMSEQUQLSDRPM-GDBMZVCRSA-N 2 2 340.389 3.351 10 30 EGEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000180129771 455137345 /nfs/dbraw/zinc/13/73/45/455137345.db2.gz OXZCTRSZLHEROW-HXUWFJFHSA-N 2 2 337.471 3.206 10 30 EGEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000180129771 455137346 /nfs/dbraw/zinc/13/73/46/455137346.db2.gz OXZCTRSZLHEROW-HXUWFJFHSA-N 2 2 337.471 3.206 10 30 EGEELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842813 456356891 /nfs/dbraw/zinc/35/68/91/456356891.db2.gz VUYKTWJNFUVIQE-PBHICJAKSA-N 2 2 326.469 3.015 10 30 EGEELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352842813 456356895 /nfs/dbraw/zinc/35/68/95/456356895.db2.gz VUYKTWJNFUVIQE-PBHICJAKSA-N 2 2 326.469 3.015 10 30 EGEELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352871763 456378563 /nfs/dbraw/zinc/37/85/63/456378563.db2.gz PJBSEQNWFOAYSE-QGZVFWFLSA-N 2 2 340.496 3.405 10 30 EGEELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352871763 456378567 /nfs/dbraw/zinc/37/85/67/456378567.db2.gz PJBSEQNWFOAYSE-QGZVFWFLSA-N 2 2 340.496 3.405 10 30 EGEELP CC[N@@H+](Cc1ccncc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000592070344 459520086 /nfs/dbraw/zinc/52/00/86/459520086.db2.gz NXYUAUXJHVDKAR-UHFFFAOYSA-N 2 2 335.455 3.087 10 30 EGEELP CC[N@H+](Cc1ccncc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000592070344 459520091 /nfs/dbraw/zinc/52/00/91/459520091.db2.gz NXYUAUXJHVDKAR-UHFFFAOYSA-N 2 2 335.455 3.087 10 30 EGEELP C=CCc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1O ZINC000527807957 459742791 /nfs/dbraw/zinc/74/27/91/459742791.db2.gz OGJGTNBOJVBOCZ-SFHVURJKSA-N 2 2 330.472 3.236 10 30 EGEELP C=CCc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc(OC)c1O ZINC000527807957 459742795 /nfs/dbraw/zinc/74/27/95/459742795.db2.gz OGJGTNBOJVBOCZ-SFHVURJKSA-N 2 2 330.472 3.236 10 30 EGEELP N#Cc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000596978757 459809005 /nfs/dbraw/zinc/80/90/05/459809005.db2.gz BWYJJKCEDAQKNW-UHFFFAOYSA-N 2 2 329.407 3.304 10 30 EGEELP N#Cc1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000596978757 459809007 /nfs/dbraw/zinc/80/90/07/459809007.db2.gz BWYJJKCEDAQKNW-UHFFFAOYSA-N 2 2 329.407 3.304 10 30 EGEELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC(C)(C)C#N)c(C)c1 ZINC000598724965 460007671 /nfs/dbraw/zinc/00/76/71/460007671.db2.gz MUTNSEAFLZDVNB-HKUYNNGSSA-N 2 2 340.471 3.132 10 30 EGEELP C=CC[NH+]1CCC(Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623951504 460793974 /nfs/dbraw/zinc/79/39/74/460793974.db2.gz PZSZKBWGKDGLGO-UHFFFAOYSA-N 2 2 335.455 3.059 10 30 EGEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)CC1 ZINC000877009708 1299113630 /nfs/dbraw/zinc/11/36/30/1299113630.db2.gz XKAICXZOWSMGLA-IAGOWNOFSA-N 2 2 349.519 3.062 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926785486 1327716535 /nfs/dbraw/zinc/71/65/35/1327716535.db2.gz LREGAVFGSZZCNR-FPOVZHCZSA-N 2 2 338.499 3.134 10 30 EGEELP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926785486 1327716542 /nfs/dbraw/zinc/71/65/42/1327716542.db2.gz LREGAVFGSZZCNR-FPOVZHCZSA-N 2 2 338.499 3.134 10 30 EGEELP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC001198767774 1369109087 /nfs/dbraw/zinc/10/90/87/1369109087.db2.gz CVQZUVYSSLDUDN-UHFFFAOYSA-N 2 2 344.846 3.355 10 30 EGEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001118639419 1371209586 /nfs/dbraw/zinc/20/95/86/1371209586.db2.gz OITHJNMBPNGVGB-GOSISDBHSA-N 2 2 334.467 3.430 10 30 EGEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001118639419 1371209591 /nfs/dbraw/zinc/20/95/91/1371209591.db2.gz OITHJNMBPNGVGB-GOSISDBHSA-N 2 2 334.467 3.430 10 30 EGEELP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001283906014 1379251725 /nfs/dbraw/zinc/25/17/25/1379251725.db2.gz NEGHKJWXETULQD-IAGOWNOFSA-N 2 2 340.471 3.273 10 30 EGEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001316699324 1384529008 /nfs/dbraw/zinc/52/90/08/1384529008.db2.gz QWADTQQDSVPGIY-QAPCUYQASA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316803217 1384591888 /nfs/dbraw/zinc/59/18/88/1384591888.db2.gz YQZLTIHTCVRNAJ-WMZOPIPTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316803217 1384591896 /nfs/dbraw/zinc/59/18/96/1384591896.db2.gz YQZLTIHTCVRNAJ-WMZOPIPTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316803217 1384591901 /nfs/dbraw/zinc/59/19/01/1384591901.db2.gz YQZLTIHTCVRNAJ-WMZOPIPTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316803217 1384591906 /nfs/dbraw/zinc/59/19/06/1384591906.db2.gz YQZLTIHTCVRNAJ-WMZOPIPTSA-N 2 2 332.492 3.010 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317504418 1385208854 /nfs/dbraw/zinc/20/88/54/1385208854.db2.gz GWGOTFRZXMLQFR-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317504418 1385208855 /nfs/dbraw/zinc/20/88/55/1385208855.db2.gz GWGOTFRZXMLQFR-QAPCUYQASA-N 2 2 340.471 3.192 10 30 EGEELP C=C(C)CC[NH2+]CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001318896409 1385872890 /nfs/dbraw/zinc/87/28/90/1385872890.db2.gz CAVNGEIEYYBXCE-UHFFFAOYSA-N 2 2 340.471 3.132 10 30 EGEELP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319852458 1386335397 /nfs/dbraw/zinc/33/53/97/1386335397.db2.gz FXUWABBUWLWONA-WMZOPIPTSA-N 2 2 340.471 3.131 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001330613205 1389469947 /nfs/dbraw/zinc/46/99/47/1389469947.db2.gz KTELDSMVFCMMPF-DZKIICNBSA-N 2 2 326.444 3.016 10 30 EGEELP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001332386565 1390102610 /nfs/dbraw/zinc/10/26/10/1390102610.db2.gz GBTKMNLUFWDAJU-RDTXWAMCSA-N 2 2 340.471 3.358 10 30 EGEELP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)N1CC#N ZINC001334383194 1390529030 /nfs/dbraw/zinc/52/90/30/1390529030.db2.gz GCFKSUOYQQPSQI-OALUTQOASA-N 2 2 342.531 3.063 10 30 EGEELP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)N1CC#N ZINC001334383194 1390529032 /nfs/dbraw/zinc/52/90/32/1390529032.db2.gz GCFKSUOYQQPSQI-OALUTQOASA-N 2 2 342.531 3.063 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767559 1394510671 /nfs/dbraw/zinc/51/06/71/1394510671.db2.gz GRBAXTQPSDRVIV-NVXWUHKLSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481767559 1394510673 /nfs/dbraw/zinc/51/06/73/1394510673.db2.gz GRBAXTQPSDRVIV-NVXWUHKLSA-N 2 2 340.471 3.454 10 30 EGEELP C=CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001486248174 1396189042 /nfs/dbraw/zinc/18/90/42/1396189042.db2.gz UEJJTXAAEFPGMS-KRWDZBQOSA-N 2 2 346.519 3.260 10 30 EGEELP C=CCC[NH2+]CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC001495193589 1396522770 /nfs/dbraw/zinc/52/27/70/1396522770.db2.gz ACQZNSVLSVTOLH-UHFFFAOYSA-N 2 2 338.455 3.081 10 30 EGEELP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001496370776 1396673276 /nfs/dbraw/zinc/67/32/76/1396673276.db2.gz VWNQYDBJMLHDSL-RDJZCZTQSA-N 2 2 334.508 3.058 10 30 EGEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001691482847 1405296059 /nfs/dbraw/zinc/29/60/59/1405296059.db2.gz XMRPZDMCMONYQK-KSZLIROESA-N 2 2 332.492 3.016 10 30 EGEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001691482847 1405296065 /nfs/dbraw/zinc/29/60/65/1405296065.db2.gz XMRPZDMCMONYQK-KSZLIROESA-N 2 2 332.492 3.016 10 30 EGEELP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001691667256 1405400608 /nfs/dbraw/zinc/40/06/08/1405400608.db2.gz OIFANPTTZWPTDQ-QGZVFWFLSA-N 2 2 346.519 3.110 10 30 EGEELP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707157261 1417224383 /nfs/dbraw/zinc/22/43/83/1417224383.db2.gz GDOOBRXWOQVJSQ-WBVHZDCISA-N 2 2 340.471 3.359 10 30 EGEELP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001707239677 1417260305 /nfs/dbraw/zinc/26/03/05/1417260305.db2.gz YYCQHURJLCUKTB-RBUKOAKNSA-N 2 2 346.519 3.407 10 30 EGEELP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001713699104 1418455302 /nfs/dbraw/zinc/45/53/02/1418455302.db2.gz TZBMMVPFMCTHJH-LJQANCHMSA-N 2 2 340.471 3.030 10 30 EGEELP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714615499 1419377222 /nfs/dbraw/zinc/37/72/22/1419377222.db2.gz WWRRMICWJVMJBY-IBGZPJMESA-N 2 2 338.455 3.033 10 30 EGEELP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714615499 1419377224 /nfs/dbraw/zinc/37/72/24/1419377224.db2.gz WWRRMICWJVMJBY-IBGZPJMESA-N 2 2 338.455 3.033 10 30 EGEELP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035807 1419770889 /nfs/dbraw/zinc/77/08/89/1419770889.db2.gz ATNLRBRXWDRWEA-OALUTQOASA-N 2 2 346.519 3.359 10 30 EGEELP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001715035807 1419770892 /nfs/dbraw/zinc/77/08/92/1419770892.db2.gz ATNLRBRXWDRWEA-OALUTQOASA-N 2 2 346.519 3.359 10 30 EGEELP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001715393855 1420091627 /nfs/dbraw/zinc/09/16/27/1420091627.db2.gz XXLINPUDQUNEGA-CRAIPNDOSA-N 2 2 340.471 3.049 10 30 EGEELP C#CC[NH2+]CCC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001717717347 1421585508 /nfs/dbraw/zinc/58/55/08/1421585508.db2.gz VCTWEECTCHSDEP-GOSISDBHSA-N 2 2 346.434 3.037 10 30 EGEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001717734029 1421599368 /nfs/dbraw/zinc/59/93/68/1421599368.db2.gz UZFNZXYZCFSCEO-GOSISDBHSA-N 2 2 329.488 3.413 10 30 EGEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001717951749 1421722209 /nfs/dbraw/zinc/72/22/09/1421722209.db2.gz GATMMIOVQMFFKJ-DLBZAZTESA-N 2 2 343.943 3.028 10 30 EGEELP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001717951749 1421722210 /nfs/dbraw/zinc/72/22/10/1421722210.db2.gz GATMMIOVQMFFKJ-DLBZAZTESA-N 2 2 343.943 3.028 10 30 EGEELP C=CCC[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001725727549 1426391966 /nfs/dbraw/zinc/39/19/66/1426391966.db2.gz FBPKDRAGDOSSOF-UHFFFAOYSA-N 2 2 328.460 3.001 10 30 EGEELP C=CCC[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001725727549 1426391967 /nfs/dbraw/zinc/39/19/67/1426391967.db2.gz FBPKDRAGDOSSOF-UHFFFAOYSA-N 2 2 328.460 3.001 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OC(F)F)c1 ZINC000437875727 270051472 /nfs/dbraw/zinc/05/14/72/270051472.db2.gz WSFPHBDWQJUZMM-UHFFFAOYSA-N 2 2 332.354 3.262 10 30 EGEELP CN(CCC#N)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000067120545 453904167 /nfs/dbraw/zinc/90/41/67/453904167.db2.gz PQPQMVLMCVRGIM-UHFFFAOYSA-N 2 2 349.482 3.190 10 30 EGEELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246194212 455445710 /nfs/dbraw/zinc/44/57/10/455445710.db2.gz IFURYTILPOQCQK-LAUBAEHRSA-N 2 2 335.451 3.199 10 30 EGEELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246194212 455445713 /nfs/dbraw/zinc/44/57/13/455445713.db2.gz IFURYTILPOQCQK-LAUBAEHRSA-N 2 2 335.451 3.199 10 30 EGEELP CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271917317 455799694 /nfs/dbraw/zinc/79/96/94/455799694.db2.gz ZFHQULXTNKDJRI-FPOVZHCZSA-N 2 2 341.499 3.173 10 30 EGEELP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000346701227 457118607 /nfs/dbraw/zinc/11/86/07/457118607.db2.gz RQVKVQPZINOTTF-PXNSSMCTSA-N 2 2 335.451 3.190 10 30 EGEELP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000346701227 457118612 /nfs/dbraw/zinc/11/86/12/457118612.db2.gz RQVKVQPZINOTTF-PXNSSMCTSA-N 2 2 335.451 3.190 10 30 EGEELP C(#CC[N@@H+]1CCC[C@H]1c1cccnc1)C[NH+]1CCC[C@@H]1c1cccnc1 ZINC000346979439 457194864 /nfs/dbraw/zinc/19/48/64/457194864.db2.gz LLJQGJJVHSQYHU-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@H]1c1cccnc1)C[NH+]1CCC[C@@H]1c1cccnc1 ZINC000346979439 457194866 /nfs/dbraw/zinc/19/48/66/457194866.db2.gz LLJQGJJVHSQYHU-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@@H+]1CCC[C@@H]1c1cccnc1)C[NH+]1CCC[C@H]1c1cccnc1 ZINC000346979439 457194869 /nfs/dbraw/zinc/19/48/69/457194869.db2.gz LLJQGJJVHSQYHU-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP C(#CC[N@H+]1CCC[C@@H]1c1cccnc1)C[NH+]1CCC[C@H]1c1cccnc1 ZINC000346979439 457194873 /nfs/dbraw/zinc/19/48/73/457194873.db2.gz LLJQGJJVHSQYHU-SZPZYZBQSA-N 2 2 346.478 3.454 10 30 EGEELP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594517754 459075663 /nfs/dbraw/zinc/07/56/63/459075663.db2.gz CWISQNAOCXCWHX-MXVIHJGJSA-N 2 2 341.499 3.458 10 30 EGEELP C[C@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000595006603 459212380 /nfs/dbraw/zinc/21/23/80/459212380.db2.gz LVWPEGCGBDVLAC-JTSKRJEESA-N 2 2 349.478 3.234 10 30 EGEELP C=CCC[C@@H](O)C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135602 459291815 /nfs/dbraw/zinc/29/18/15/459291815.db2.gz NUTTUBMLMRHOCH-UXHICEINSA-N 2 2 330.516 3.376 10 30 EGEELP C=CCC[C@@H](O)C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135602 459291819 /nfs/dbraw/zinc/29/18/19/459291819.db2.gz NUTTUBMLMRHOCH-UXHICEINSA-N 2 2 330.516 3.376 10 30 EGEELP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000591573586 459404116 /nfs/dbraw/zinc/40/41/16/459404116.db2.gz ZGFZJAIFXSFWHP-YADHBBJMSA-N 2 2 347.462 3.082 10 30 EGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CNc4ccccc4C3)CC2)cc1 ZINC000593319209 459839890 /nfs/dbraw/zinc/83/98/90/459839890.db2.gz JQEXWRSQXTYVHZ-OAQYLSRUSA-N 2 2 346.478 3.149 10 30 EGEELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000609433220 459961615 /nfs/dbraw/zinc/96/16/15/459961615.db2.gz KRJAYGHNZUXLJR-FQEVSTJZSA-N 2 2 335.451 3.321 10 30 EGEELP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000609433220 459961621 /nfs/dbraw/zinc/96/16/21/459961621.db2.gz KRJAYGHNZUXLJR-FQEVSTJZSA-N 2 2 335.451 3.321 10 30 EGEELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000599084304 460156519 /nfs/dbraw/zinc/15/65/19/460156519.db2.gz RMAYTDPZYHJACM-QGZVFWFLSA-N 2 2 327.472 3.196 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000929809305 1328707071 /nfs/dbraw/zinc/70/70/71/1328707071.db2.gz XJWDVSMVQAHKGQ-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@H]([NH+](C)Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000929809305 1328707073 /nfs/dbraw/zinc/70/70/73/1328707073.db2.gz XJWDVSMVQAHKGQ-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@H]([N@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809305 1328707077 /nfs/dbraw/zinc/70/70/77/1328707077.db2.gz XJWDVSMVQAHKGQ-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000929809305 1328707080 /nfs/dbraw/zinc/70/70/80/1328707080.db2.gz XJWDVSMVQAHKGQ-LAUBAEHRSA-N 2 2 334.467 3.438 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351059 1330100477 /nfs/dbraw/zinc/10/04/77/1330100477.db2.gz GQZRTYFVUNDEJX-SJLPKXTDSA-N 2 2 335.451 3.437 10 30 EGEELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1O ZINC000866351059 1330100479 /nfs/dbraw/zinc/10/04/79/1330100479.db2.gz GQZRTYFVUNDEJX-SJLPKXTDSA-N 2 2 335.451 3.437 10 30 EGEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001324762398 1387763093 /nfs/dbraw/zinc/76/30/93/1387763093.db2.gz IIKIGXYDULQJPQ-HXUWFJFHSA-N 2 2 329.488 3.415 10 30 EGEELP N#Cc1ccccc1OCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197264854 1368775018 /nfs/dbraw/zinc/77/50/18/1368775018.db2.gz ORODVZKTWKSVKI-LJQANCHMSA-N 2 2 332.407 3.165 10 30 EGEELP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284057506 1379409655 /nfs/dbraw/zinc/40/96/55/1379409655.db2.gz MQBWOMNXWVDPPI-WSTZPKSXSA-N 2 2 344.503 3.160 10 30 EGEELP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284057506 1379409657 /nfs/dbraw/zinc/40/96/57/1379409657.db2.gz MQBWOMNXWVDPPI-WSTZPKSXSA-N 2 2 344.503 3.160 10 30 EGEELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001293588788 1382308100 /nfs/dbraw/zinc/30/81/00/1382308100.db2.gz FXGVAIVHWWRAGT-UHFFFAOYSA-N 2 2 342.362 3.181 10 30 EGEELP C=C(C)C[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001698660907 1406311590 /nfs/dbraw/zinc/31/15/90/1406311590.db2.gz NRLFCRKKHWRAGB-JXFKEZNVSA-N 2 2 340.471 3.179 10 30 EGEELP C=CC[NH+]1CCC(C2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CC2)CC1 ZINC001333180442 1390262463 /nfs/dbraw/zinc/26/24/63/1390262463.db2.gz GFVHNQSOLZMYQB-SFHVURJKSA-N 2 2 344.503 3.017 10 30 EGEELP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190355 1392619787 /nfs/dbraw/zinc/61/97/87/1392619787.db2.gz ZYDASJVSEFCXIQ-RBUKOAKNSA-N 2 2 346.519 3.166 10 30 EGEELP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001480190355 1392619792 /nfs/dbraw/zinc/61/97/92/1392619792.db2.gz ZYDASJVSEFCXIQ-RBUKOAKNSA-N 2 2 346.519 3.166 10 30 EGEELP C=C(C)CC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001485456966 1395927884 /nfs/dbraw/zinc/92/78/84/1395927884.db2.gz FMYAQCDOTYUFOF-KRWDZBQOSA-N 2 2 332.492 3.209 10 30 EGEELP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001700316846 1413776004 /nfs/dbraw/zinc/77/60/04/1413776004.db2.gz ZMIDHZYBRJSMCO-GDBMZVCRSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001700316846 1413776007 /nfs/dbraw/zinc/77/60/07/1413776007.db2.gz ZMIDHZYBRJSMCO-GDBMZVCRSA-N 2 2 326.444 3.112 10 30 EGEELP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001713053386 1417605961 /nfs/dbraw/zinc/60/59/61/1417605961.db2.gz VBBKWFUZEGYJOP-KRWDZBQOSA-N 2 2 346.519 3.204 10 30 EGEELP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001713683379 1418435673 /nfs/dbraw/zinc/43/56/73/1418435673.db2.gz VTGSNPJMROSJDC-JKSUJKDBSA-N 2 2 346.519 3.259 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713828939 1418628121 /nfs/dbraw/zinc/62/81/21/1418628121.db2.gz AIFWEGPQJUKBOA-SJLPKXTDSA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713828939 1418628128 /nfs/dbraw/zinc/62/81/28/1418628128.db2.gz AIFWEGPQJUKBOA-SJLPKXTDSA-N 2 2 338.455 3.031 10 30 EGEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714075686 1418870080 /nfs/dbraw/zinc/87/00/80/1418870080.db2.gz ZTIPEZGFGZUBLG-GOSISDBHSA-N 2 2 329.488 3.415 10 30 EGEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714130389 1418933846 /nfs/dbraw/zinc/93/38/46/1418933846.db2.gz XIMPQGPKSYKSIV-MRXNPFEDSA-N 2 2 326.444 3.113 10 30 EGEELP C=CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001714834674 1419546267 /nfs/dbraw/zinc/54/62/67/1419546267.db2.gz KTSFBCMOXBTNSL-LJQANCHMSA-N 2 2 340.471 3.017 10 30 EGEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220535 1429341280 /nfs/dbraw/zinc/34/12/80/1429341280.db2.gz GIWRRRVWXVNKMZ-APWZRJJASA-N 2 2 338.455 3.031 10 30 EGEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733220535 1429341287 /nfs/dbraw/zinc/34/12/87/1429341287.db2.gz GIWRRRVWXVNKMZ-APWZRJJASA-N 2 2 338.455 3.031 10 30 EGEELP C=CCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001717524530 1421460386 /nfs/dbraw/zinc/46/03/86/1421460386.db2.gz GWQOPBMUSVUFIC-UHFFFAOYSA-N 2 2 340.471 3.323 10 30 EGEELP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717701641 1421574485 /nfs/dbraw/zinc/57/44/85/1421574485.db2.gz AWNCPNBKJYPNND-INIZCTEOSA-N 2 2 340.471 3.225 10 30 EGEELP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717701641 1421574488 /nfs/dbraw/zinc/57/44/88/1421574488.db2.gz AWNCPNBKJYPNND-INIZCTEOSA-N 2 2 340.471 3.225 10 30 EGEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725026161 1425445754 /nfs/dbraw/zinc/44/57/54/1425445754.db2.gz IPKFZQYTIHEUNU-SFHVURJKSA-N 2 2 346.519 3.361 10 30 EGEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725026161 1425445756 /nfs/dbraw/zinc/44/57/56/1425445756.db2.gz IPKFZQYTIHEUNU-SFHVURJKSA-N 2 2 346.519 3.361 10 30 EGEELP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001725793173 1426479065 /nfs/dbraw/zinc/47/90/65/1426479065.db2.gz BEZPOMTXSSAGBP-QGZVFWFLSA-N 2 2 344.503 3.161 10 30 EGEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731517647 1427505449 /nfs/dbraw/zinc/50/54/49/1427505449.db2.gz ORBXYPPJIOYJEB-HOTGVXAUSA-N 2 2 340.471 3.359 10 30 EGEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847041 1428072234 /nfs/dbraw/zinc/07/22/34/1428072234.db2.gz PNTMHPSPIMSCJF-DOTOQJQBSA-N 2 2 340.471 3.049 10 30 EGEELP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001731847041 1428072241 /nfs/dbraw/zinc/07/22/41/1428072241.db2.gz PNTMHPSPIMSCJF-DOTOQJQBSA-N 2 2 340.471 3.049 10 30 EGEELP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750946999 1440119377 /nfs/dbraw/zinc/11/93/77/1440119377.db2.gz PCDGBQLNVDASFF-QZTJIDSGSA-N 2 2 346.519 3.263 10 30 EGEELP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001750946999 1440119378 /nfs/dbraw/zinc/11/93/78/1440119378.db2.gz PCDGBQLNVDASFF-QZTJIDSGSA-N 2 2 346.519 3.263 10 30 EGEELP