smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccncc1 ZINC000823888755 946502163 /nfs/dbraw/zinc/50/21/63/946502163.db2.gz VMPYXDWKMIDWST-NRFANRHFSA-N 2 2 389.507 3.133 20 30 GGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824545550 946784762 /nfs/dbraw/zinc/78/47/62/946784762.db2.gz DBHQLIGYLCHCKR-MRXNPFEDSA-N 2 2 387.491 3.054 20 30 GGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824548089 946790891 /nfs/dbraw/zinc/79/08/91/946790891.db2.gz VCTINDMWROFWOJ-MRXNPFEDSA-N 2 2 387.491 3.054 20 30 GGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000162789386 565328008 /nfs/dbraw/zinc/32/80/08/565328008.db2.gz DBBPGMJXEBXMFV-UHFFFAOYSA-N 2 2 377.945 3.132 20 30 GGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000162789386 565328015 /nfs/dbraw/zinc/32/80/15/565328015.db2.gz DBBPGMJXEBXMFV-UHFFFAOYSA-N 2 2 377.945 3.132 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Br ZINC000367949311 566224494 /nfs/dbraw/zinc/22/44/94/566224494.db2.gz CPZZZAQGNIKQLA-NJAFHUGGSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Br ZINC000367949311 566224495 /nfs/dbraw/zinc/22/44/95/566224495.db2.gz CPZZZAQGNIKQLA-NJAFHUGGSA-N 2 2 378.314 3.004 20 30 GGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494426897 567000185 /nfs/dbraw/zinc/00/01/85/567000185.db2.gz QLAAOQUSAOKBPF-CQSZACIVSA-N 2 2 392.297 3.324 20 30 GGEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045785585 1404204542 /nfs/dbraw/zinc/20/45/42/1404204542.db2.gz AIBBNVKFFABORD-UHFFFAOYSA-N 2 2 387.487 3.007 20 30 GGEDLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046751408 1404576724 /nfs/dbraw/zinc/57/67/24/1404576724.db2.gz SCDDCJRITYXMQS-HXUWFJFHSA-N 2 2 397.567 3.040 20 30 GGEDLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046751408 1404576731 /nfs/dbraw/zinc/57/67/31/1404576731.db2.gz SCDDCJRITYXMQS-HXUWFJFHSA-N 2 2 397.567 3.040 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759398 1405860812 /nfs/dbraw/zinc/86/08/12/1405860812.db2.gz PQFHDOZOEUAWCQ-UHFFFAOYSA-N 2 2 376.570 3.004 20 30 GGEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000060613282 1408011347 /nfs/dbraw/zinc/01/13/47/1408011347.db2.gz GOZFAXWJWDHQTI-UHFFFAOYSA-N 2 2 399.498 3.151 20 30 GGEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000060613282 1408011352 /nfs/dbraw/zinc/01/13/52/1408011352.db2.gz GOZFAXWJWDHQTI-UHFFFAOYSA-N 2 2 399.498 3.151 20 30 GGEDLP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000061070283 1408073874 /nfs/dbraw/zinc/07/38/74/1408073874.db2.gz LPPUVBWXFIZHRR-UHFFFAOYSA-N 2 2 377.532 3.126 20 30 GGEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065785186 1408729269 /nfs/dbraw/zinc/72/92/69/1408729269.db2.gz FMNPYZRRMSYJAL-UHFFFAOYSA-N 2 2 387.487 3.007 20 30 GGEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000067122204 1409013460 /nfs/dbraw/zinc/01/34/60/1409013460.db2.gz VSUKRDFGPLTLAQ-HSZRJFAPSA-N 2 2 393.531 3.320 20 30 GGEDLP C=CCc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc(OC)c1O ZINC000092665051 1410185116 /nfs/dbraw/zinc/18/51/16/1410185116.db2.gz XOLWQQAVDHNNTL-KDURUIRLSA-N 2 2 387.568 3.120 20 30 GGEDLP C=CCc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc(OC)c1O ZINC000092665051 1410185124 /nfs/dbraw/zinc/18/51/24/1410185124.db2.gz XOLWQQAVDHNNTL-KDURUIRLSA-N 2 2 387.568 3.120 20 30 GGEDLP C=CCOc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665458 1410185376 /nfs/dbraw/zinc/18/53/76/1410185376.db2.gz WNQNFBUDJJJAHH-BGYRXZFFSA-N 2 2 387.568 3.250 20 30 GGEDLP C=CCOc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665458 1410185388 /nfs/dbraw/zinc/18/53/88/1410185388.db2.gz WNQNFBUDJJJAHH-BGYRXZFFSA-N 2 2 387.568 3.250 20 30 GGEDLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000093412929 1410244005 /nfs/dbraw/zinc/24/40/05/1410244005.db2.gz JGGZOMLARKBZIO-UHFFFAOYSA-N 2 2 393.531 3.416 20 30 GGEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000093412929 1410244007 /nfs/dbraw/zinc/24/40/07/1410244007.db2.gz JGGZOMLARKBZIO-UHFFFAOYSA-N 2 2 393.531 3.416 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111243504 1411897488 /nfs/dbraw/zinc/89/74/88/1411897488.db2.gz JCANANWSTMKVSV-LJQANCHMSA-N 2 2 379.508 3.472 20 30 GGEDLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000114163980 1412386031 /nfs/dbraw/zinc/38/60/31/1412386031.db2.gz KZSYKEHAUVCNPV-UHFFFAOYSA-N 2 2 379.508 3.003 20 30 GGEDLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000114163980 1412386039 /nfs/dbraw/zinc/38/60/39/1412386039.db2.gz KZSYKEHAUVCNPV-UHFFFAOYSA-N 2 2 379.508 3.003 20 30 GGEDLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597145 1412725263 /nfs/dbraw/zinc/72/52/63/1412725263.db2.gz CKICFBRSHNIYBE-PNCHPQGNSA-N 2 2 390.531 3.352 20 30 GGEDLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597066 1412725564 /nfs/dbraw/zinc/72/55/64/1412725564.db2.gz OYJYFWAQGDGYFP-VGSWGCGISA-N 2 2 376.504 3.249 20 30 GGEDLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597066 1412725578 /nfs/dbraw/zinc/72/55/78/1412725578.db2.gz OYJYFWAQGDGYFP-VGSWGCGISA-N 2 2 376.504 3.249 20 30 GGEDLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597034 1412725964 /nfs/dbraw/zinc/72/59/64/1412725964.db2.gz QFIBAEYCTIYRPJ-QFIPXVFZSA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597068 1412726239 /nfs/dbraw/zinc/72/62/39/1412726239.db2.gz OYJYFWAQGDGYFP-JTSKRJEESA-N 2 2 376.504 3.249 20 30 GGEDLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597068 1412726247 /nfs/dbraw/zinc/72/62/47/1412726247.db2.gz OYJYFWAQGDGYFP-JTSKRJEESA-N 2 2 376.504 3.249 20 30 GGEDLP C=CC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000121206238 1414043741 /nfs/dbraw/zinc/04/37/41/1414043741.db2.gz ZLMPREMTRZGXCT-UHFFFAOYSA-N 2 2 378.520 3.065 20 30 GGEDLP C=CC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000121206238 1414043750 /nfs/dbraw/zinc/04/37/50/1414043750.db2.gz ZLMPREMTRZGXCT-UHFFFAOYSA-N 2 2 378.520 3.065 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000121248171 1414058289 /nfs/dbraw/zinc/05/82/89/1414058289.db2.gz RQVBCKJEXBUFJG-QGZVFWFLSA-N 2 2 376.570 3.177 20 30 GGEDLP C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625156 1414204815 /nfs/dbraw/zinc/20/48/15/1414204815.db2.gz BRVGUBWOCGKNSP-QHCPKHFHSA-N 2 2 393.531 3.089 20 30 GGEDLP C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625156 1414204820 /nfs/dbraw/zinc/20/48/20/1414204820.db2.gz BRVGUBWOCGKNSP-QHCPKHFHSA-N 2 2 393.531 3.089 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000177912288 1428890046 /nfs/dbraw/zinc/89/00/46/1428890046.db2.gz DURMFJTWCPYPKY-SFHVURJKSA-N 2 2 391.581 3.162 20 30 GGEDLP C=C(C)COc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1OC ZINC000127275193 1415714218 /nfs/dbraw/zinc/71/42/18/1415714218.db2.gz QBBGLANEVOQZEZ-JOCHJYFZSA-N 2 2 396.531 3.159 20 30 GGEDLP C=C(C)COc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1OC ZINC000127275193 1415714246 /nfs/dbraw/zinc/71/42/46/1415714246.db2.gz QBBGLANEVOQZEZ-JOCHJYFZSA-N 2 2 396.531 3.159 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000178383837 1429066308 /nfs/dbraw/zinc/06/63/08/1429066308.db2.gz MBTNCBZQUIJEAW-RTWAWAEBSA-N 2 2 379.508 3.061 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129369000 1416197847 /nfs/dbraw/zinc/19/78/47/1416197847.db2.gz QCTAKSBTELBYMQ-BJLQDIEVSA-N 2 2 395.507 3.110 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129369000 1416197855 /nfs/dbraw/zinc/19/78/55/1416197855.db2.gz QCTAKSBTELBYMQ-BJLQDIEVSA-N 2 2 395.507 3.110 20 30 GGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129515343 1416221467 /nfs/dbraw/zinc/22/14/67/1416221467.db2.gz WAJDIJYGRPKAQG-QKNQBKEWSA-N 2 2 379.508 3.410 20 30 GGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129515343 1416221470 /nfs/dbraw/zinc/22/14/70/1416221470.db2.gz WAJDIJYGRPKAQG-QKNQBKEWSA-N 2 2 379.508 3.410 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129582521 1416232179 /nfs/dbraw/zinc/23/21/79/1416232179.db2.gz XEKKVJHVFPXJIV-GHTZIAJQSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129582521 1416232182 /nfs/dbraw/zinc/23/21/82/1416232182.db2.gz XEKKVJHVFPXJIV-GHTZIAJQSA-N 2 2 379.508 3.330 20 30 GGEDLP C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129583630 1416232624 /nfs/dbraw/zinc/23/26/24/1416232624.db2.gz NKEUZZZPBLDSEL-LPHOPBHVSA-N 2 2 385.899 3.366 20 30 GGEDLP C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129583630 1416232631 /nfs/dbraw/zinc/23/26/31/1416232631.db2.gz NKEUZZZPBLDSEL-LPHOPBHVSA-N 2 2 385.899 3.366 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129757699 1416259335 /nfs/dbraw/zinc/25/93/35/1416259335.db2.gz MXPKYARSJJZKDT-UWVAXJGDSA-N 2 2 383.471 3.240 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129757699 1416259338 /nfs/dbraw/zinc/25/93/38/1416259338.db2.gz MXPKYARSJJZKDT-UWVAXJGDSA-N 2 2 383.471 3.240 20 30 GGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000131292915 1416535804 /nfs/dbraw/zinc/53/58/04/1416535804.db2.gz PAACQKJSFURRIZ-FQEVSTJZSA-N 2 2 393.535 3.238 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159949607 1424555396 /nfs/dbraw/zinc/55/53/96/1424555396.db2.gz ASFUCNNZLRPBGO-GOEBONIOSA-N 2 2 384.509 3.258 20 30 GGEDLP C[NH+]=C(NCCNc1nc2ccccc2s1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159980535 1424558927 /nfs/dbraw/zinc/55/89/27/1424558927.db2.gz JWZPFVSIEXLXQY-RDJZCZTQSA-N 2 2 397.552 3.063 20 30 GGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041127 1424565865 /nfs/dbraw/zinc/56/58/65/1424565865.db2.gz XOBKJLRLUDUSAU-GCJKJVERSA-N 2 2 385.556 3.063 20 30 GGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041127 1424565874 /nfs/dbraw/zinc/56/58/74/1424565874.db2.gz XOBKJLRLUDUSAU-GCJKJVERSA-N 2 2 385.556 3.063 20 30 GGEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c(F)c1 ZINC000160168727 1424582216 /nfs/dbraw/zinc/58/22/16/1424582216.db2.gz FEYAFEHNKLFQKY-IBGZPJMESA-N 2 2 379.483 3.320 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165540259 1425184131 /nfs/dbraw/zinc/18/41/31/1425184131.db2.gz PKORVZJBMQNACN-RTWAWAEBSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165540259 1425184135 /nfs/dbraw/zinc/18/41/35/1425184135.db2.gz PKORVZJBMQNACN-RTWAWAEBSA-N 2 2 383.540 3.359 20 30 GGEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000170904001 1425386808 /nfs/dbraw/zinc/38/68/08/1425386808.db2.gz YDGDQJHFZXIBJD-IBGZPJMESA-N 2 2 386.565 3.178 20 30 GGEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000170904001 1425386813 /nfs/dbraw/zinc/38/68/13/1425386813.db2.gz YDGDQJHFZXIBJD-IBGZPJMESA-N 2 2 386.565 3.178 20 30 GGEDLP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181411437 1430291109 /nfs/dbraw/zinc/29/11/09/1430291109.db2.gz KGYJAIZLIOJCLK-UHFFFAOYSA-N 2 2 395.503 3.338 20 30 GGEDLP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181600365 1430325860 /nfs/dbraw/zinc/32/58/60/1430325860.db2.gz KGFYHUGDYMOGGQ-UHFFFAOYSA-N 2 2 376.504 3.062 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000181670662 1430338820 /nfs/dbraw/zinc/33/88/20/1430338820.db2.gz SLMBHZWYFIROIT-UHFFFAOYSA-N 2 2 377.488 3.474 20 30 GGEDLP CN(C)C(=O)c1cccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181811211 1430365155 /nfs/dbraw/zinc/36/51/55/1430365155.db2.gz AQLMATGTYWWXFQ-UHFFFAOYSA-N 2 2 390.531 3.057 20 30 GGEDLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181867805 1430374388 /nfs/dbraw/zinc/37/43/88/1430374388.db2.gz GLQPAMQEXMZPPI-UHFFFAOYSA-N 2 2 386.540 3.416 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000181917519 1430382844 /nfs/dbraw/zinc/38/28/44/1430382844.db2.gz SDRWWJDIUUTZTB-UHFFFAOYSA-N 3 2 389.547 3.424 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCNC(=O)c3cccc(F)c3)CC2)cc1 ZINC000181945879 1430386970 /nfs/dbraw/zinc/38/69/70/1430386970.db2.gz UYFXTRONLWTUCH-UHFFFAOYSA-N 2 2 394.494 3.071 20 30 GGEDLP COc1cc(NCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000182056486 1430402906 /nfs/dbraw/zinc/40/29/06/1430402906.db2.gz HEZODTJZHSPUAG-UHFFFAOYSA-N 2 2 394.519 3.242 20 30 GGEDLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000182068754 1430405338 /nfs/dbraw/zinc/40/53/38/1430405338.db2.gz BXWZGKXKPOSCES-UHFFFAOYSA-N 2 2 393.487 3.108 20 30 GGEDLP CC(C)(C)OC(=O)NCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183181522 1430640914 /nfs/dbraw/zinc/64/09/14/1430640914.db2.gz LNAIJDJWAMFIGJ-UHFFFAOYSA-N 2 2 386.540 3.417 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000184743498 1430962330 /nfs/dbraw/zinc/96/23/30/1430962330.db2.gz HZYXYVIEEFKGTJ-HZPDHXFCSA-N 2 2 394.519 3.453 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357070 1432836110 /nfs/dbraw/zinc/83/61/10/1432836110.db2.gz VKRGTMWBQMNMKH-CVDCTZTESA-N 2 2 379.504 3.358 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357070 1432836111 /nfs/dbraw/zinc/83/61/11/1432836111.db2.gz VKRGTMWBQMNMKH-CVDCTZTESA-N 2 2 379.504 3.358 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245586065 1433488075 /nfs/dbraw/zinc/48/80/75/1433488075.db2.gz MHWZNLFMUCIWSS-FCHUYYIVSA-N 2 2 382.552 3.469 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245586065 1433488076 /nfs/dbraw/zinc/48/80/76/1433488076.db2.gz MHWZNLFMUCIWSS-FCHUYYIVSA-N 2 2 382.552 3.469 20 30 GGEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CCC(OC(C)(C)C)CC1 ZINC000261693088 1433899147 /nfs/dbraw/zinc/89/91/47/1433899147.db2.gz FIMMGLMPOPZIDK-INIZCTEOSA-N 2 2 392.613 3.350 20 30 GGEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CCC(OC(C)(C)C)CC1 ZINC000261693088 1433899148 /nfs/dbraw/zinc/89/91/48/1433899148.db2.gz FIMMGLMPOPZIDK-INIZCTEOSA-N 2 2 392.613 3.350 20 30 GGEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261967113 1433917586 /nfs/dbraw/zinc/91/75/86/1433917586.db2.gz LSPXLHAWLYVFSL-NEPJUHHUSA-N 2 2 386.447 3.017 20 30 GGEDLP C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261982562 1433919179 /nfs/dbraw/zinc/91/91/79/1433919179.db2.gz PEYHKNJPSJSOIV-YOEHRIQHSA-N 2 2 375.517 3.403 20 30 GGEDLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)C1 ZINC000267335759 1434423784 /nfs/dbraw/zinc/42/37/84/1434423784.db2.gz BRKPUCIZDHEJJH-INIZCTEOSA-N 2 2 392.573 3.074 20 30 GGEDLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)C1 ZINC000267335759 1434423785 /nfs/dbraw/zinc/42/37/85/1434423785.db2.gz BRKPUCIZDHEJJH-INIZCTEOSA-N 2 2 392.573 3.074 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000271870472 1434855927 /nfs/dbraw/zinc/85/59/27/1434855927.db2.gz MOQJMYPBZPLACP-NRFANRHFSA-N 2 2 381.495 3.103 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000271883431 1434856874 /nfs/dbraw/zinc/85/68/74/1434856874.db2.gz QAFQSDQGSILDNB-UHFFFAOYSA-N 2 2 396.922 3.196 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917370 1434859203 /nfs/dbraw/zinc/85/92/03/1434859203.db2.gz ZGQWVRSROSMQKB-HARLFGEKSA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917370 1434859205 /nfs/dbraw/zinc/85/92/05/1434859205.db2.gz ZGQWVRSROSMQKB-HARLFGEKSA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788826 1435092474 /nfs/dbraw/zinc/09/24/74/1435092474.db2.gz BOHAZDDEWPJURT-ZJOUEHCJSA-N 2 2 382.552 3.218 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788826 1435092477 /nfs/dbraw/zinc/09/24/77/1435092477.db2.gz BOHAZDDEWPJURT-ZJOUEHCJSA-N 2 2 382.552 3.218 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881116 1435100618 /nfs/dbraw/zinc/10/06/18/1435100618.db2.gz ZRVCNWLYYCXPNT-QRWLVFNGSA-N 2 2 380.492 3.207 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881116 1435100620 /nfs/dbraw/zinc/10/06/20/1435100620.db2.gz ZRVCNWLYYCXPNT-QRWLVFNGSA-N 2 2 380.492 3.207 20 30 GGEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278751655 1435419938 /nfs/dbraw/zinc/41/99/38/1435419938.db2.gz AXRACRDEXWMGSR-MRXNPFEDSA-N 2 2 377.492 3.298 20 30 GGEDLP C=CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccncc1 ZINC000823888756 946501901 /nfs/dbraw/zinc/50/19/01/946501901.db2.gz VMPYXDWKMIDWST-OAQYLSRUSA-N 2 2 389.507 3.133 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177912235 565880451 /nfs/dbraw/zinc/88/04/51/565880451.db2.gz YABBQDRWLBLXPL-CQSZACIVSA-N 2 2 380.330 3.406 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1Br ZINC000365193259 566088846 /nfs/dbraw/zinc/08/88/46/566088846.db2.gz ZTENBLVKYZYIGJ-BPQIPLTHSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1Br ZINC000365193259 566088851 /nfs/dbraw/zinc/08/88/51/566088851.db2.gz ZTENBLVKYZYIGJ-BPQIPLTHSA-N 2 2 378.314 3.004 20 30 GGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441560 566141196 /nfs/dbraw/zinc/14/11/96/566141196.db2.gz MXJWNDOYVKGZKV-MOPGFXCFSA-N 2 2 391.357 3.116 20 30 GGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441560 566141198 /nfs/dbraw/zinc/14/11/98/566141198.db2.gz MXJWNDOYVKGZKV-MOPGFXCFSA-N 2 2 391.357 3.116 20 30 GGEDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(Br)c(C#N)cc3F)CC2)CC1 ZINC000576291938 566331693 /nfs/dbraw/zinc/33/16/93/566331693.db2.gz XEZVJMXTDYVJNE-UHFFFAOYSA-N 2 2 395.320 3.430 20 30 GGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(Br)c3C#N)CC2)CC1 ZINC000562235712 566773640 /nfs/dbraw/zinc/77/36/40/566773640.db2.gz VSSYFPCVIZKHPC-UHFFFAOYSA-N 2 2 391.357 3.316 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000470012591 566839372 /nfs/dbraw/zinc/83/93/72/566839372.db2.gz RAAYENOVCLGAOR-CQSZACIVSA-N 2 2 383.330 3.454 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000470012591 566839377 /nfs/dbraw/zinc/83/93/77/566839377.db2.gz RAAYENOVCLGAOR-CQSZACIVSA-N 2 2 383.330 3.454 20 30 GGEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000563948738 566931774 /nfs/dbraw/zinc/93/17/74/566931774.db2.gz SZHKUNKTGSJGKT-SFHVURJKSA-N 2 2 380.330 3.253 20 30 GGEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000563948738 566931779 /nfs/dbraw/zinc/93/17/79/566931779.db2.gz SZHKUNKTGSJGKT-SFHVURJKSA-N 2 2 380.330 3.253 20 30 GGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cncc(Br)c3)CC2)c1 ZINC000593693329 567436391 /nfs/dbraw/zinc/43/63/91/567436391.db2.gz UONQSDKNBDMCNO-UHFFFAOYSA-N 2 2 385.309 3.470 20 30 GGEDLP CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000594556124 567484801 /nfs/dbraw/zinc/48/48/01/567484801.db2.gz PJBAZMIBCRYUBM-OAHLLOKOSA-N 2 2 395.320 3.065 20 30 GGEDLP CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000594556124 567484804 /nfs/dbraw/zinc/48/48/04/567484804.db2.gz PJBAZMIBCRYUBM-OAHLLOKOSA-N 2 2 395.320 3.065 20 30 GGEDLP CN(c1cc(Br)c(C#N)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000594556122 567485195 /nfs/dbraw/zinc/48/51/95/567485195.db2.gz PJBAZMIBCRYUBM-HNNXBMFYSA-N 2 2 395.320 3.065 20 30 GGEDLP CN(c1cc(Br)c(C#N)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000594556122 567485200 /nfs/dbraw/zinc/48/52/00/567485200.db2.gz PJBAZMIBCRYUBM-HNNXBMFYSA-N 2 2 395.320 3.065 20 30 GGEDLP Cc1nc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Br)c(C)[nH+]1 ZINC000596157943 567613279 /nfs/dbraw/zinc/61/32/79/567613279.db2.gz KKBRDBKMKZBUFM-UHFFFAOYSA-N 2 2 388.313 3.296 20 30 GGEDLP COc1ccc(NC(=[NH2+])NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000104173154 1410886247 /nfs/dbraw/zinc/88/62/47/1410886247.db2.gz YIGWGKRSGRFJEZ-UHFFFAOYSA-N 2 2 395.551 3.020 20 30 GGEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)ccc1OC ZINC000109069932 1411674525 /nfs/dbraw/zinc/67/45/25/1411674525.db2.gz HZKGTVNPOVQXIO-GOSISDBHSA-N 2 2 397.523 3.240 20 30 GGEDLP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000109788194 1411810365 /nfs/dbraw/zinc/81/03/65/1411810365.db2.gz DHTCSFWCAQMXGM-GOSISDBHSA-N 2 2 377.492 3.030 20 30 GGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000109788194 1411810367 /nfs/dbraw/zinc/81/03/67/1411810367.db2.gz DHTCSFWCAQMXGM-GOSISDBHSA-N 2 2 377.492 3.030 20 30 GGEDLP Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000111243096 1411897544 /nfs/dbraw/zinc/89/75/44/1411897544.db2.gz ODXCHKXMUYCWOO-UHFFFAOYSA-N 2 2 385.899 3.429 20 30 GGEDLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597063 1412725211 /nfs/dbraw/zinc/72/52/11/1412725211.db2.gz DLPUEEGCPQOZAB-JTSKRJEESA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597063 1412725219 /nfs/dbraw/zinc/72/52/19/1412725219.db2.gz DLPUEEGCPQOZAB-JTSKRJEESA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123751082 1414819651 /nfs/dbraw/zinc/81/96/51/1414819651.db2.gz YFHWUKGEWFCNMJ-HUUCEWRRSA-N 2 2 385.899 3.227 20 30 GGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123751082 1414819654 /nfs/dbraw/zinc/81/96/54/1414819654.db2.gz YFHWUKGEWFCNMJ-HUUCEWRRSA-N 2 2 385.899 3.227 20 30 GGEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC3CC[NH+](CC(=C)C)CC3)[nH+]cn2)CC1 ZINC000124089542 1414883233 /nfs/dbraw/zinc/88/32/33/1414883233.db2.gz LMOOWDHPSPVLQM-UHFFFAOYSA-N 3 2 384.572 3.381 20 30 GGEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124373635 1414951636 /nfs/dbraw/zinc/95/16/36/1414951636.db2.gz ZUXTYFATJIFBEI-UHFFFAOYSA-N 2 2 385.537 3.436 20 30 GGEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124373635 1414951641 /nfs/dbraw/zinc/95/16/41/1414951641.db2.gz ZUXTYFATJIFBEI-UHFFFAOYSA-N 2 2 385.537 3.436 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000178383806 1429066232 /nfs/dbraw/zinc/06/62/32/1429066232.db2.gz MBTNCBZQUIJEAW-SFTDATJTSA-N 2 2 379.508 3.061 20 30 GGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130926688 1416482336 /nfs/dbraw/zinc/48/23/36/1416482336.db2.gz MHPKLFNUCVMTMY-UHFFFAOYSA-N 2 2 385.537 3.354 20 30 GGEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130926688 1416482340 /nfs/dbraw/zinc/48/23/40/1416482340.db2.gz MHPKLFNUCVMTMY-UHFFFAOYSA-N 2 2 385.537 3.354 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000131287242 1416535322 /nfs/dbraw/zinc/53/53/22/1416535322.db2.gz IUPKHKIMGWXUHE-FQEVSTJZSA-N 2 2 393.535 3.238 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000131287242 1416535325 /nfs/dbraw/zinc/53/53/25/1416535325.db2.gz IUPKHKIMGWXUHE-FQEVSTJZSA-N 2 2 393.535 3.238 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151112463 1417874632 /nfs/dbraw/zinc/87/46/32/1417874632.db2.gz ANQKIGABKQRZEG-FQEVSTJZSA-N 2 2 391.519 3.156 20 30 GGEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCSC2(CCCCC2)C1 ZINC000153565121 1422620199 /nfs/dbraw/zinc/62/01/99/1422620199.db2.gz YHQVCYJVINJMIO-UHFFFAOYSA-N 2 2 389.613 3.479 20 30 GGEDLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000155494531 1423386411 /nfs/dbraw/zinc/38/64/11/1423386411.db2.gz YGMUDPXEWMKICQ-UHFFFAOYSA-N 2 2 379.504 3.026 20 30 GGEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000155494531 1423386417 /nfs/dbraw/zinc/38/64/17/1423386417.db2.gz YGMUDPXEWMKICQ-UHFFFAOYSA-N 2 2 379.504 3.026 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156560698 1423828654 /nfs/dbraw/zinc/82/86/54/1423828654.db2.gz XXPDNZYSDSBXDO-TZIWHRDSSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156560698 1423828655 /nfs/dbraw/zinc/82/86/55/1423828655.db2.gz XXPDNZYSDSBXDO-TZIWHRDSSA-N 2 2 379.508 3.330 20 30 GGEDLP CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000157074974 1423918010 /nfs/dbraw/zinc/91/80/10/1423918010.db2.gz DBYOPLGBNCOKQL-UHFFFAOYSA-N 2 2 395.507 3.340 20 30 GGEDLP CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000157074974 1423918020 /nfs/dbraw/zinc/91/80/20/1423918020.db2.gz DBYOPLGBNCOKQL-UHFFFAOYSA-N 2 2 395.507 3.340 20 30 GGEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157287243 1423974901 /nfs/dbraw/zinc/97/49/01/1423974901.db2.gz SGTWQIHBMGOFOH-OALUTQOASA-N 2 2 389.503 3.174 20 30 GGEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157287243 1423974907 /nfs/dbraw/zinc/97/49/07/1423974907.db2.gz SGTWQIHBMGOFOH-OALUTQOASA-N 2 2 389.503 3.174 20 30 GGEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157287421 1423974923 /nfs/dbraw/zinc/97/49/23/1423974923.db2.gz SGTWQIHBMGOFOH-RBUKOAKNSA-N 2 2 389.503 3.174 20 30 GGEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157287421 1423974927 /nfs/dbraw/zinc/97/49/27/1423974927.db2.gz SGTWQIHBMGOFOH-RBUKOAKNSA-N 2 2 389.503 3.174 20 30 GGEDLP Cn1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180048624 1429712995 /nfs/dbraw/zinc/71/29/95/1429712995.db2.gz KDFVPFIUVQVCLB-UHFFFAOYSA-N 2 2 382.471 3.493 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158921750 1424372808 /nfs/dbraw/zinc/37/28/08/1424372808.db2.gz AZCZYTYEIUBLBW-YADHBBJMSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158921750 1424372815 /nfs/dbraw/zinc/37/28/15/1424372815.db2.gz AZCZYTYEIUBLBW-YADHBBJMSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158921893 1424373060 /nfs/dbraw/zinc/37/30/60/1424373060.db2.gz AZCZYTYEIUBLBW-VXKWHMMOSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158921893 1424373067 /nfs/dbraw/zinc/37/30/67/1424373067.db2.gz AZCZYTYEIUBLBW-VXKWHMMOSA-N 2 2 397.567 3.037 20 30 GGEDLP C[NH+]=C(NCCNc1nc2ccccc2s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159980780 1424558721 /nfs/dbraw/zinc/55/87/21/1424558721.db2.gz JWZPFVSIEXLXQY-DOTOQJQBSA-N 2 2 397.552 3.063 20 30 GGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041010 1424565158 /nfs/dbraw/zinc/56/51/58/1424565158.db2.gz XOBKJLRLUDUSAU-AVRDEDQJSA-N 2 2 385.556 3.063 20 30 GGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041010 1424565165 /nfs/dbraw/zinc/56/51/65/1424565165.db2.gz XOBKJLRLUDUSAU-AVRDEDQJSA-N 2 2 385.556 3.063 20 30 GGEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000160630425 1424621039 /nfs/dbraw/zinc/62/10/39/1424621039.db2.gz CPRFWZTZCKQBOB-CHWSQXEVSA-N 2 2 388.434 3.200 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165540389 1425184728 /nfs/dbraw/zinc/18/47/28/1425184728.db2.gz PKORVZJBMQNACN-SFTDATJTSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165540389 1425184739 /nfs/dbraw/zinc/18/47/39/1425184739.db2.gz PKORVZJBMQNACN-SFTDATJTSA-N 2 2 383.540 3.359 20 30 GGEDLP CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392785 1427135551 /nfs/dbraw/zinc/13/55/51/1427135551.db2.gz OJCDSJRXXPVNEP-UHFFFAOYSA-N 2 2 397.567 3.305 20 30 GGEDLP CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392785 1427135556 /nfs/dbraw/zinc/13/55/56/1427135556.db2.gz OJCDSJRXXPVNEP-UHFFFAOYSA-N 2 2 397.567 3.305 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC(NCC3([NH+]4CCSCC4)CCCC3)CC2)cc1 ZINC000181488670 1430308943 /nfs/dbraw/zinc/30/89/43/1430308943.db2.gz HMJVZNZXNOQEGY-UHFFFAOYSA-N 2 2 398.620 3.474 20 30 GGEDLP C[NH+](C)CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181524448 1430315162 /nfs/dbraw/zinc/31/51/62/1430315162.db2.gz INXMKJSLUJBPIY-UHFFFAOYSA-N 3 2 392.547 3.253 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CCc4sccc4C3)CC2)cc1 ZINC000181553452 1430319585 /nfs/dbraw/zinc/31/95/85/1430319585.db2.gz GZYTUNQMHIOLIB-UHFFFAOYSA-N 2 2 380.561 3.232 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000181608321 1430327109 /nfs/dbraw/zinc/32/71/09/1430327109.db2.gz HFMMMOBJOSVROS-UHFFFAOYSA-N 2 2 390.531 3.149 20 30 GGEDLP COc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000181679842 1430340737 /nfs/dbraw/zinc/34/07/37/1430340737.db2.gz CAPVOYRHZPJAKR-NRFANRHFSA-N 2 2 377.488 3.125 20 30 GGEDLP CC[NH+](CC)CCCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000182751346 1430533175 /nfs/dbraw/zinc/53/31/75/1430533175.db2.gz ONQCMJONPIITEM-UHFFFAOYSA-N 2 2 391.581 3.166 20 30 GGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000186192387 1431350070 /nfs/dbraw/zinc/35/00/70/1431350070.db2.gz QTJCJHXLRWPINA-QFIPXVFZSA-N 2 2 389.547 3.296 20 30 GGEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000186192387 1431350077 /nfs/dbraw/zinc/35/00/77/1431350077.db2.gz QTJCJHXLRWPINA-QFIPXVFZSA-N 2 2 389.547 3.296 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190319305 1432360445 /nfs/dbraw/zinc/36/04/45/1432360445.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190319305 1432360447 /nfs/dbraw/zinc/36/04/47/1432360447.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000190319305 1432360449 /nfs/dbraw/zinc/36/04/49/1432360449.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000190319305 1432360452 /nfs/dbraw/zinc/36/04/52/1432360452.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 2 2 379.504 3.046 20 30 GGEDLP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000191581692 1432686971 /nfs/dbraw/zinc/68/69/71/1432686971.db2.gz KHVHTKRVZYCMIW-DEOSSOPVSA-N 2 2 391.515 3.243 20 30 GGEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354442 1432835555 /nfs/dbraw/zinc/83/55/55/1432835555.db2.gz VKOQUBVTMDJTNG-DEOSSOPVSA-N 2 2 378.516 3.469 20 30 GGEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354442 1432835558 /nfs/dbraw/zinc/83/55/58/1432835558.db2.gz VKOQUBVTMDJTNG-DEOSSOPVSA-N 2 2 378.516 3.469 20 30 GGEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354436 1432835602 /nfs/dbraw/zinc/83/56/02/1432835602.db2.gz VKOQUBVTMDJTNG-XMMPIXPASA-N 2 2 378.516 3.469 20 30 GGEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354436 1432835603 /nfs/dbraw/zinc/83/56/03/1432835603.db2.gz VKOQUBVTMDJTNG-XMMPIXPASA-N 2 2 378.516 3.469 20 30 GGEDLP CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195343983 1433321020 /nfs/dbraw/zinc/32/10/20/1433321020.db2.gz BTJPYAPVUCIIQP-UHFFFAOYSA-N 2 2 399.539 3.026 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245740498 1433509208 /nfs/dbraw/zinc/50/92/08/1433509208.db2.gz XEKKVJHVFPXJIV-RXVVDRJESA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245740498 1433509212 /nfs/dbraw/zinc/50/92/12/1433509212.db2.gz XEKKVJHVFPXJIV-RXVVDRJESA-N 2 2 379.508 3.330 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245757275 1433512601 /nfs/dbraw/zinc/51/26/01/1433512601.db2.gz YUXWTJFUDKHWCZ-XZOQPEGZSA-N 2 2 396.579 3.286 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245757275 1433512607 /nfs/dbraw/zinc/51/26/07/1433512607.db2.gz YUXWTJFUDKHWCZ-XZOQPEGZSA-N 2 2 396.579 3.286 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246790867 1433666995 /nfs/dbraw/zinc/66/69/95/1433666995.db2.gz MIRLTXZTQOZXLF-DXIQSLLYSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246790867 1433667001 /nfs/dbraw/zinc/66/70/01/1433667001.db2.gz MIRLTXZTQOZXLF-DXIQSLLYSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246790867 1433667009 /nfs/dbraw/zinc/66/70/09/1433667009.db2.gz MIRLTXZTQOZXLF-DXIQSLLYSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246790867 1433667020 /nfs/dbraw/zinc/66/70/20/1433667020.db2.gz MIRLTXZTQOZXLF-DXIQSLLYSA-N 2 2 380.536 3.270 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247783143 1433751054 /nfs/dbraw/zinc/75/10/54/1433751054.db2.gz XXPDNZYSDSBXDO-FPOVZHCZSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247783143 1433751060 /nfs/dbraw/zinc/75/10/60/1433751060.db2.gz XXPDNZYSDSBXDO-FPOVZHCZSA-N 2 2 379.508 3.330 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261940465 1433914827 /nfs/dbraw/zinc/91/48/27/1433914827.db2.gz DLWFVQSKYHVIEI-LPHOPBHVSA-N 2 2 378.480 3.197 20 30 GGEDLP C[NH+]=C(NCc1csc(Br)c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261960395 1433916695 /nfs/dbraw/zinc/91/66/95/1433916695.db2.gz JZPXFFXCPYNCOJ-GXTWGEPZSA-N 2 2 396.358 3.366 20 30 GGEDLP CC[NH+]=C(NCc1ccc2c(c1)OCCCO2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261986524 1433919777 /nfs/dbraw/zinc/91/97/77/1433919777.db2.gz QFIGKHUIQPPOKI-PKOBYXMFSA-N 2 2 397.523 3.093 20 30 GGEDLP CC[NH+]=C(NCCn1c(C)nc2ccccc21)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261998995 1433920485 /nfs/dbraw/zinc/92/04/85/1433920485.db2.gz TXMJNMNWKXNWDP-LAUBAEHRSA-N 2 2 393.539 3.090 20 30 GGEDLP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261999697 1433920617 /nfs/dbraw/zinc/92/06/17/1433920617.db2.gz UBCFVBUBHNIFPN-MGPUTAFESA-N 2 2 382.487 3.205 20 30 GGEDLP [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N1CCSCC1 ZINC000262026927 1433923115 /nfs/dbraw/zinc/92/31/15/1433923115.db2.gz ZVIHUVJQPVPFJM-UHFFFAOYSA-N 2 2 391.544 3.462 20 30 GGEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000262489212 1433941055 /nfs/dbraw/zinc/94/10/55/1433941055.db2.gz UGAZCZSFSRTRHI-FQEVSTJZSA-N 2 2 388.519 3.216 20 30 GGEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263245932 1433998025 /nfs/dbraw/zinc/99/80/25/1433998025.db2.gz HQGFSZSSDXVABC-ICSRJNTNSA-N 2 2 396.560 3.032 20 30 GGEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263245932 1433998026 /nfs/dbraw/zinc/99/80/26/1433998026.db2.gz HQGFSZSSDXVABC-ICSRJNTNSA-N 2 2 396.560 3.032 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C4OCCO4)cc3)CC2)cc1 ZINC000271858472 1434855369 /nfs/dbraw/zinc/85/53/69/1434855369.db2.gz JSTQTILYPFEING-UHFFFAOYSA-N 2 2 377.488 3.358 20 30 GGEDLP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000271911516 1434858723 /nfs/dbraw/zinc/85/87/23/1434858723.db2.gz YAQROCDQFLRKDI-OAQYLSRUSA-N 2 2 377.488 3.125 20 30 GGEDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271955892 1434861581 /nfs/dbraw/zinc/86/15/81/1434861581.db2.gz PZNKYWCPBSWVDH-QGZVFWFLSA-N 2 2 383.467 3.259 20 30 GGEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000278919102 1435439931 /nfs/dbraw/zinc/43/99/31/1435439931.db2.gz RGIUVPLEZRYURR-NRFANRHFSA-N 2 2 389.503 3.076 20 30 GGEDLP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000278919107 1435440148 /nfs/dbraw/zinc/44/01/48/1435440148.db2.gz RGIUVPLEZRYURR-OAQYLSRUSA-N 2 2 389.503 3.076 20 30 GGEDLP N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000278937900 1435442386 /nfs/dbraw/zinc/44/23/86/1435442386.db2.gz UDZREGPZYDXIMW-GOSISDBHSA-N 2 2 395.532 3.137 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000279414543 1435496794 /nfs/dbraw/zinc/49/67/94/1435496794.db2.gz HZDIFLWLMIWFOH-UHFFFAOYSA-N 2 2 385.556 3.149 20 30 GGEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809117 720102930 /nfs/dbraw/zinc/10/29/30/720102930.db2.gz HCFKXZAJRQJZLY-NFBKMPQASA-N 2 2 376.504 3.291 20 30 GGEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809117 720102936 /nfs/dbraw/zinc/10/29/36/720102936.db2.gz HCFKXZAJRQJZLY-NFBKMPQASA-N 2 2 376.504 3.291 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973858 722111015 /nfs/dbraw/zinc/11/10/15/722111015.db2.gz HNLFECKAVAJTMM-GGAORHGYSA-N 2 2 399.498 3.229 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973858 722111018 /nfs/dbraw/zinc/11/10/18/722111018.db2.gz HNLFECKAVAJTMM-GGAORHGYSA-N 2 2 399.498 3.229 20 30 GGEDLP C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179290777 565971965 /nfs/dbraw/zinc/97/19/65/565971965.db2.gz ZZDCKYWMMAGHMV-UHFFFAOYSA-N 2 2 384.977 3.125 20 30 GGEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000181087864 566111999 /nfs/dbraw/zinc/11/19/99/566111999.db2.gz FLTBJGFCTBLPHC-UHFFFAOYSA-N 2 2 387.281 3.047 20 30 GGEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441579 566140967 /nfs/dbraw/zinc/14/09/67/566140967.db2.gz MXJWNDOYVKGZKV-OALUTQOASA-N 2 2 391.357 3.116 20 30 GGEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441579 566140970 /nfs/dbraw/zinc/14/09/70/566140970.db2.gz MXJWNDOYVKGZKV-OALUTQOASA-N 2 2 391.357 3.116 20 30 GGEDLP N#Cc1cc(Br)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000561849450 566743581 /nfs/dbraw/zinc/74/35/81/566743581.db2.gz XBMUVKMIQVJJRX-UHFFFAOYSA-N 2 2 392.341 3.255 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469879296 566822977 /nfs/dbraw/zinc/82/29/77/566822977.db2.gz FMQUTOGIFQPLNO-DZKIICNBSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469879296 566822979 /nfs/dbraw/zinc/82/29/79/566822979.db2.gz FMQUTOGIFQPLNO-DZKIICNBSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000470012590 566839211 /nfs/dbraw/zinc/83/92/11/566839211.db2.gz RAAYENOVCLGAOR-AWEZNQCLSA-N 2 2 383.330 3.454 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000470012590 566839213 /nfs/dbraw/zinc/83/92/13/566839213.db2.gz RAAYENOVCLGAOR-AWEZNQCLSA-N 2 2 383.330 3.454 20 30 GGEDLP C[C@@H](CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)Cc1ccc(C#N)cc1 ZINC000820242468 606098842 /nfs/dbraw/zinc/09/88/42/606098842.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@@H](CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)Cc1ccc(C#N)cc1 ZINC000820242468 606098847 /nfs/dbraw/zinc/09/88/47/606098847.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@@H](CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000820242468 606098851 /nfs/dbraw/zinc/09/88/51/606098851.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@@H](CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000820242468 606098855 /nfs/dbraw/zinc/09/88/55/606098855.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046751409 1404577003 /nfs/dbraw/zinc/57/70/03/1404577003.db2.gz SCDDCJRITYXMQS-FQEVSTJZSA-N 2 2 397.567 3.040 20 30 GGEDLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046751409 1404577007 /nfs/dbraw/zinc/57/70/07/1404577007.db2.gz SCDDCJRITYXMQS-FQEVSTJZSA-N 2 2 397.567 3.040 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000176500025 1428341605 /nfs/dbraw/zinc/34/16/05/1428341605.db2.gz QUHXSCNQHDSEKM-UHFFFAOYSA-N 2 2 399.583 3.370 20 30 GGEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000067122176 1409013293 /nfs/dbraw/zinc/01/32/93/1409013293.db2.gz AMIYBOTYGONXLD-HSZRJFAPSA-N 2 2 393.531 3.320 20 30 GGEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000067122205 1409013301 /nfs/dbraw/zinc/01/33/01/1409013301.db2.gz VSUKRDFGPLTLAQ-QHCPKHFHSA-N 2 2 393.531 3.320 20 30 GGEDLP C=CCc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc(OC)c1O ZINC000092665054 1410185267 /nfs/dbraw/zinc/18/52/67/1410185267.db2.gz XOLWQQAVDHNNTL-OALUTQOASA-N 2 2 387.568 3.120 20 30 GGEDLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000101544249 1410457254 /nfs/dbraw/zinc/45/72/54/1410457254.db2.gz VDAKNGNVQNEBNA-UHFFFAOYSA-N 2 2 394.544 3.178 20 30 GGEDLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000101544249 1410457264 /nfs/dbraw/zinc/45/72/64/1410457264.db2.gz VDAKNGNVQNEBNA-UHFFFAOYSA-N 2 2 394.544 3.178 20 30 GGEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000104159007 1410885924 /nfs/dbraw/zinc/88/59/24/1410885924.db2.gz DEFMMNIYLGGKLZ-HOTGVXAUSA-N 2 2 392.544 3.098 20 30 GGEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)ccc1OC ZINC000109069930 1411674927 /nfs/dbraw/zinc/67/49/27/1411674927.db2.gz HZKGTVNPOVQXIO-SFHVURJKSA-N 2 2 397.523 3.240 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111243506 1411897702 /nfs/dbraw/zinc/89/77/02/1411897702.db2.gz JCANANWSTMKVSV-IBGZPJMESA-N 2 2 379.508 3.472 20 30 GGEDLP C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000112214811 1412094416 /nfs/dbraw/zinc/09/44/16/1412094416.db2.gz PBAXSNJGRCWUBZ-UHFFFAOYSA-N 2 2 376.589 3.323 20 30 GGEDLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597141 1412724811 /nfs/dbraw/zinc/72/48/11/1412724811.db2.gz CKICFBRSHNIYBE-IXFSTUDKSA-N 2 2 390.531 3.352 20 30 GGEDLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597141 1412724834 /nfs/dbraw/zinc/72/48/34/1412724834.db2.gz CKICFBRSHNIYBE-IXFSTUDKSA-N 2 2 390.531 3.352 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119835317 1413587049 /nfs/dbraw/zinc/58/70/49/1413587049.db2.gz MHWZNLFMUCIWSS-YADHBBJMSA-N 2 2 382.552 3.469 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119835317 1413587057 /nfs/dbraw/zinc/58/70/57/1413587057.db2.gz MHWZNLFMUCIWSS-YADHBBJMSA-N 2 2 382.552 3.469 20 30 GGEDLP C=C(C)COc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000120074333 1413676557 /nfs/dbraw/zinc/67/65/57/1413676557.db2.gz RJBXNTDMIDYJCX-UHFFFAOYSA-N 2 2 386.540 3.322 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000178383795 1429066137 /nfs/dbraw/zinc/06/61/37/1429066137.db2.gz MBTNCBZQUIJEAW-LEWJYISDSA-N 2 2 379.508 3.061 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129757919 1416259089 /nfs/dbraw/zinc/25/90/89/1416259089.db2.gz MXPKYARSJJZKDT-ZWOKBUDYSA-N 2 2 383.471 3.240 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129757919 1416259093 /nfs/dbraw/zinc/25/90/93/1416259093.db2.gz MXPKYARSJJZKDT-ZWOKBUDYSA-N 2 2 383.471 3.240 20 30 GGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000130662031 1416420150 /nfs/dbraw/zinc/42/01/50/1416420150.db2.gz VLWRWVUGPLZKLS-MRXNPFEDSA-N 2 2 385.537 3.404 20 30 GGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@H]2CSC)c1=S ZINC000130959518 1416487834 /nfs/dbraw/zinc/48/78/34/1416487834.db2.gz VADYHOVNTRVNCN-KRWDZBQOSA-N 2 2 395.642 3.413 20 30 GGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@H]2CSC)c1=S ZINC000130959518 1416487836 /nfs/dbraw/zinc/48/78/36/1416487836.db2.gz VADYHOVNTRVNCN-KRWDZBQOSA-N 2 2 395.642 3.413 20 30 GGEDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])cc2)CC1 ZINC000150878377 1417826738 /nfs/dbraw/zinc/82/67/38/1417826738.db2.gz KUHXZKMVCBEPJK-UHFFFAOYSA-N 2 2 380.452 3.383 20 30 GGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389435 1429354379 /nfs/dbraw/zinc/35/43/79/1429354379.db2.gz LXOFLVYJYCNXNH-QFIPXVFZSA-N 2 2 392.503 3.406 20 30 GGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389435 1429354385 /nfs/dbraw/zinc/35/43/85/1429354385.db2.gz LXOFLVYJYCNXNH-QFIPXVFZSA-N 2 2 392.503 3.406 20 30 GGEDLP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000155161789 1423204249 /nfs/dbraw/zinc/20/42/49/1423204249.db2.gz BSVHQSNXQHFIHL-FQEVSTJZSA-N 2 2 394.515 3.260 20 30 GGEDLP C=CCn1c(C)nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000179918026 1429640063 /nfs/dbraw/zinc/64/00/63/1429640063.db2.gz CMACWJWKCLKDKX-UHFFFAOYSA-N 2 2 386.569 3.500 20 30 GGEDLP C=CCn1c(C)nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000179918026 1429640065 /nfs/dbraw/zinc/64/00/65/1429640065.db2.gz CMACWJWKCLKDKX-UHFFFAOYSA-N 2 2 386.569 3.500 20 30 GGEDLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179953571 1429660641 /nfs/dbraw/zinc/66/06/41/1429660641.db2.gz QORAIEHCLYXUJG-UHFFFAOYSA-N 2 2 397.544 3.106 20 30 GGEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158917741 1424372384 /nfs/dbraw/zinc/37/23/84/1424372384.db2.gz UTEXCLZXRJICAX-YADHBBJMSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158917741 1424372388 /nfs/dbraw/zinc/37/23/88/1424372388.db2.gz UTEXCLZXRJICAX-YADHBBJMSA-N 2 2 397.567 3.037 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159949321 1424555809 /nfs/dbraw/zinc/55/58/09/1424555809.db2.gz ASFUCNNZLRPBGO-HOCLYGCPSA-N 2 2 384.509 3.258 20 30 GGEDLP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000162021982 1424809658 /nfs/dbraw/zinc/80/96/58/1424809658.db2.gz DOSMALMFZLEMBD-HXUWFJFHSA-N 2 2 394.515 3.260 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)CC1 ZINC000171729383 1425805132 /nfs/dbraw/zinc/80/51/32/1425805132.db2.gz NXEJEUZUQBTUFG-UHFFFAOYSA-N 2 2 392.547 3.383 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)CC1 ZINC000171729383 1425805135 /nfs/dbraw/zinc/80/51/35/1425805135.db2.gz NXEJEUZUQBTUFG-UHFFFAOYSA-N 2 2 392.547 3.383 20 30 GGEDLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978679 1426922374 /nfs/dbraw/zinc/92/23/74/1426922374.db2.gz KKVUAEHRYWALKN-FYYLOGMGSA-N 2 2 388.515 3.117 20 30 GGEDLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978679 1426922384 /nfs/dbraw/zinc/92/23/84/1426922384.db2.gz KKVUAEHRYWALKN-FYYLOGMGSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978679 1426922391 /nfs/dbraw/zinc/92/23/91/1426922391.db2.gz KKVUAEHRYWALKN-FYYLOGMGSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978679 1426922395 /nfs/dbraw/zinc/92/23/95/1426922395.db2.gz KKVUAEHRYWALKN-FYYLOGMGSA-N 2 2 388.515 3.117 20 30 GGEDLP COc1cccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)c1 ZINC000181388178 1430286749 /nfs/dbraw/zinc/28/67/49/1430286749.db2.gz JVAMPMUAPIMIKZ-DEOSSOPVSA-N 2 2 392.547 3.424 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC000181399168 1430288809 /nfs/dbraw/zinc/28/88/09/1430288809.db2.gz RKATVENFQDMULL-UHFFFAOYSA-N 2 2 396.579 3.147 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000181403522 1430289596 /nfs/dbraw/zinc/28/95/96/1430289596.db2.gz LKGLPMLYBPIYJM-UHFFFAOYSA-N 2 2 377.488 3.126 20 30 GGEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181441613 1430300216 /nfs/dbraw/zinc/30/02/16/1430300216.db2.gz UTJFWTKSVSPCDX-FQEVSTJZSA-N 2 2 378.520 3.452 20 30 GGEDLP COCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181491252 1430309760 /nfs/dbraw/zinc/30/97/60/1430309760.db2.gz GYIPIRXMMQLIKO-UHFFFAOYSA-N 2 2 379.504 3.338 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000181497747 1430310688 /nfs/dbraw/zinc/31/06/88/1430310688.db2.gz NZFGSBONWGWAQW-UHFFFAOYSA-N 2 2 388.515 3.439 20 30 GGEDLP CCCNC(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181519489 1430314230 /nfs/dbraw/zinc/31/42/30/1430314230.db2.gz MVPSTSJTFWEIOD-UHFFFAOYSA-N 2 2 390.531 3.452 20 30 GGEDLP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000181679826 1430340730 /nfs/dbraw/zinc/34/07/30/1430340730.db2.gz CAPVOYRHZPJAKR-OAQYLSRUSA-N 2 2 377.488 3.125 20 30 GGEDLP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181800333 1430363240 /nfs/dbraw/zinc/36/32/40/1430363240.db2.gz KJABCCVOXYOFFW-OAQYLSRUSA-N 2 2 398.551 3.416 20 30 GGEDLP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181911672 1430382085 /nfs/dbraw/zinc/38/20/85/1430382085.db2.gz YNXHHFBJRSOTAI-QHCPKHFHSA-N 2 2 379.504 3.245 20 30 GGEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181966105 1430389764 /nfs/dbraw/zinc/38/97/64/1430389764.db2.gz FIJYHBKZXJAGNH-JOCHJYFZSA-N 2 2 385.458 3.298 20 30 GGEDLP Cn1c(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2cc(F)ccc21 ZINC000181976147 1430390985 /nfs/dbraw/zinc/39/09/85/1430390985.db2.gz HFWYIXUCQJANLQ-UHFFFAOYSA-N 2 2 391.494 3.381 20 30 GGEDLP COc1cc(OC)cc(OCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182020408 1430397579 /nfs/dbraw/zinc/39/75/79/1430397579.db2.gz AVDKONPULGUWBV-UHFFFAOYSA-N 2 2 395.503 3.208 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000182039529 1430400145 /nfs/dbraw/zinc/40/01/45/1430400145.db2.gz PLFQHFXSGIUWHY-UHFFFAOYSA-N 2 2 377.488 3.474 20 30 GGEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1sccc1C#N ZINC000184750219 1430965287 /nfs/dbraw/zinc/96/52/87/1430965287.db2.gz GFCCISTXLAOYBA-HZPDHXFCSA-N 2 2 382.533 3.304 20 30 GGEDLP C=C(C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185831463 1431246442 /nfs/dbraw/zinc/24/64/42/1431246442.db2.gz NEVVJDQKQRDLFU-FQEVSTJZSA-N 2 2 394.510 3.249 20 30 GGEDLP C=C(C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185831463 1431246445 /nfs/dbraw/zinc/24/64/45/1431246445.db2.gz NEVVJDQKQRDLFU-FQEVSTJZSA-N 2 2 394.510 3.249 20 30 GGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000186192365 1431349864 /nfs/dbraw/zinc/34/98/64/1431349864.db2.gz QTJCJHXLRWPINA-JOCHJYFZSA-N 2 2 389.547 3.296 20 30 GGEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000186192365 1431349870 /nfs/dbraw/zinc/34/98/70/1431349870.db2.gz QTJCJHXLRWPINA-JOCHJYFZSA-N 2 2 389.547 3.296 20 30 GGEDLP CCOC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000187695184 1431801099 /nfs/dbraw/zinc/80/10/99/1431801099.db2.gz HMXVUZKFUBYEPW-SFHVURJKSA-N 2 2 398.551 3.369 20 30 GGEDLP C=CCc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359193 /nfs/dbraw/zinc/35/91/93/1432359193.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 2 2 396.531 3.198 20 30 GGEDLP C=CCc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359196 /nfs/dbraw/zinc/35/91/96/1432359196.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 2 2 396.531 3.198 20 30 GGEDLP C=CCc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359199 /nfs/dbraw/zinc/35/91/99/1432359199.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 2 2 396.531 3.198 20 30 GGEDLP C=CCc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359204 /nfs/dbraw/zinc/35/92/04/1432359204.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 2 2 396.531 3.198 20 30 GGEDLP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000191581680 1432686746 /nfs/dbraw/zinc/68/67/46/1432686746.db2.gz KHVHTKRVZYCMIW-XMMPIXPASA-N 2 2 391.515 3.243 20 30 GGEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000195343354 1433321195 /nfs/dbraw/zinc/32/11/95/1433321195.db2.gz XJRXNPLHXQNZSQ-UHFFFAOYSA-N 2 2 383.540 3.168 20 30 GGEDLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445518 1433469055 /nfs/dbraw/zinc/46/90/55/1433469055.db2.gz KKVUAEHRYWALKN-GGAORHGYSA-N 2 2 388.515 3.117 20 30 GGEDLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445518 1433469060 /nfs/dbraw/zinc/46/90/60/1433469060.db2.gz KKVUAEHRYWALKN-GGAORHGYSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445518 1433469064 /nfs/dbraw/zinc/46/90/64/1433469064.db2.gz KKVUAEHRYWALKN-GGAORHGYSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445518 1433469069 /nfs/dbraw/zinc/46/90/69/1433469069.db2.gz KKVUAEHRYWALKN-GGAORHGYSA-N 2 2 388.515 3.117 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245603535 1433489643 /nfs/dbraw/zinc/48/96/43/1433489643.db2.gz MXPKYARSJJZKDT-FUHIMQAGSA-N 2 2 383.471 3.240 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245603535 1433489644 /nfs/dbraw/zinc/48/96/44/1433489644.db2.gz MXPKYARSJJZKDT-FUHIMQAGSA-N 2 2 383.471 3.240 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245603542 1433489652 /nfs/dbraw/zinc/48/96/52/1433489652.db2.gz MXPKYARSJJZKDT-MBOZVWFJSA-N 2 2 383.471 3.240 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245603542 1433489654 /nfs/dbraw/zinc/48/96/54/1433489654.db2.gz MXPKYARSJJZKDT-MBOZVWFJSA-N 2 2 383.471 3.240 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245689709 1433500185 /nfs/dbraw/zinc/50/01/85/1433500185.db2.gz QCTAKSBTELBYMQ-CMKODMSKSA-N 2 2 395.507 3.110 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245689709 1433500188 /nfs/dbraw/zinc/50/01/88/1433500188.db2.gz QCTAKSBTELBYMQ-CMKODMSKSA-N 2 2 395.507 3.110 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245721707 1433505925 /nfs/dbraw/zinc/50/59/25/1433505925.db2.gz PTVUYSKTPHNFOS-FCHUYYIVSA-N 2 2 382.552 3.162 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245721707 1433505926 /nfs/dbraw/zinc/50/59/26/1433505926.db2.gz PTVUYSKTPHNFOS-FCHUYYIVSA-N 2 2 382.552 3.162 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246790907 1433667157 /nfs/dbraw/zinc/66/71/57/1433667157.db2.gz MIRLTXZTQOZXLF-XQBPLPMBSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246790907 1433667158 /nfs/dbraw/zinc/66/71/58/1433667158.db2.gz MIRLTXZTQOZXLF-XQBPLPMBSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246790907 1433667159 /nfs/dbraw/zinc/66/71/59/1433667159.db2.gz MIRLTXZTQOZXLF-XQBPLPMBSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246790907 1433667160 /nfs/dbraw/zinc/66/71/60/1433667160.db2.gz MIRLTXZTQOZXLF-XQBPLPMBSA-N 2 2 380.536 3.270 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247359461 1433712385 /nfs/dbraw/zinc/71/23/85/1433712385.db2.gz YQTDITZQAPDTPU-ONTIZHBOSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247359461 1433712389 /nfs/dbraw/zinc/71/23/89/1433712389.db2.gz YQTDITZQAPDTPU-ONTIZHBOSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247359461 1433712393 /nfs/dbraw/zinc/71/23/93/1433712393.db2.gz YQTDITZQAPDTPU-ONTIZHBOSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247359461 1433712397 /nfs/dbraw/zinc/71/23/97/1433712397.db2.gz YQTDITZQAPDTPU-ONTIZHBOSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247359480 1433712849 /nfs/dbraw/zinc/71/28/49/1433712849.db2.gz YQTDITZQAPDTPU-VWPQPMDRSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247359480 1433712853 /nfs/dbraw/zinc/71/28/53/1433712853.db2.gz YQTDITZQAPDTPU-VWPQPMDRSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247359480 1433712858 /nfs/dbraw/zinc/71/28/58/1433712858.db2.gz YQTDITZQAPDTPU-VWPQPMDRSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247359480 1433712863 /nfs/dbraw/zinc/71/28/63/1433712863.db2.gz YQTDITZQAPDTPU-VWPQPMDRSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000248394475 1433794813 /nfs/dbraw/zinc/79/48/13/1433794813.db2.gz HZYXYVIEEFKGTJ-BRLLKYFNSA-N 2 2 394.519 3.453 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000248394475 1433794816 /nfs/dbraw/zinc/79/48/16/1433794816.db2.gz HZYXYVIEEFKGTJ-BRLLKYFNSA-N 2 2 394.519 3.453 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000254952434 1433872935 /nfs/dbraw/zinc/87/29/35/1433872935.db2.gz PHHOBJHHCKSSAK-TWGQIWQCSA-N 2 2 382.552 3.068 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261940464 1433914628 /nfs/dbraw/zinc/91/46/28/1433914628.db2.gz DLWFVQSKYHVIEI-APWZRJJASA-N 2 2 378.480 3.197 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261940467 1433914822 /nfs/dbraw/zinc/91/48/22/1433914822.db2.gz DLWFVQSKYHVIEI-VQIMIIECSA-N 2 2 378.480 3.197 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261940466 1433914975 /nfs/dbraw/zinc/91/49/75/1433914975.db2.gz DLWFVQSKYHVIEI-QFBILLFUSA-N 2 2 378.480 3.197 20 30 GGEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261967125 1433917755 /nfs/dbraw/zinc/91/77/55/1433917755.db2.gz LSPXLHAWLYVFSL-VXGBXAGGSA-N 2 2 386.447 3.017 20 30 GGEDLP C[NH+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261998986 1433920517 /nfs/dbraw/zinc/92/05/17/1433920517.db2.gz TXFYOFHWCSXKBE-CTNGQTDRSA-N 2 2 390.959 3.165 20 30 GGEDLP C[NH+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261998989 1433920758 /nfs/dbraw/zinc/92/07/58/1433920758.db2.gz TXFYOFHWCSXKBE-TZIWHRDSSA-N 2 2 390.959 3.165 20 30 GGEDLP CC[NH+]=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262015870 1433922431 /nfs/dbraw/zinc/92/24/31/1433922431.db2.gz XTHBSCFXKJCGHO-UWJYYQICSA-N 2 2 378.524 3.456 20 30 GGEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262398494 1433937822 /nfs/dbraw/zinc/93/78/22/1433937822.db2.gz JQYXYRYNCZTIQX-ONCXSQPRSA-N 2 2 388.556 3.175 20 30 GGEDLP COc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000271862221 1434855578 /nfs/dbraw/zinc/85/55/78/1434855578.db2.gz KSGXBLNDRVWCON-QFIPXVFZSA-N 2 2 390.531 3.400 20 30 GGEDLP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000271911513 1434858820 /nfs/dbraw/zinc/85/88/20/1434858820.db2.gz YAQROCDQFLRKDI-NRFANRHFSA-N 2 2 377.488 3.125 20 30 GGEDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271923105 1434859511 /nfs/dbraw/zinc/85/95/11/1434859511.db2.gz FRAYGPZZGCOCAN-QGZVFWFLSA-N 2 2 383.467 3.259 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881112 1435100667 /nfs/dbraw/zinc/10/06/67/1435100667.db2.gz ZRVCNWLYYCXPNT-FOIQADDNSA-N 2 2 380.492 3.207 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881112 1435100669 /nfs/dbraw/zinc/10/06/69/1435100669.db2.gz ZRVCNWLYYCXPNT-FOIQADDNSA-N 2 2 380.492 3.207 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)cc1 ZINC000281471044 1435810208 /nfs/dbraw/zinc/81/02/08/1435810208.db2.gz FFXBGQQSLOKOQJ-UHFFFAOYSA-N 2 2 381.549 3.238 20 30 GGEDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]21 ZINC001164835576 720585541 /nfs/dbraw/zinc/58/55/41/720585541.db2.gz BKNGBCPLCOKHQI-KPFFTGBYSA-N 2 2 389.507 3.009 20 30 GGEDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]21 ZINC001164835576 720585550 /nfs/dbraw/zinc/58/55/50/720585550.db2.gz BKNGBCPLCOKHQI-KPFFTGBYSA-N 2 2 389.507 3.009 20 30 GGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(C#N)c1 ZINC000824546235 946786708 /nfs/dbraw/zinc/78/67/08/946786708.db2.gz HRFVRWDOZYZCRV-INIZCTEOSA-N 2 2 387.491 3.054 20 30 GGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000188728595 565420911 /nfs/dbraw/zinc/42/09/11/565420911.db2.gz FKALWNCKYFBUST-UHFFFAOYSA-N 2 2 394.357 3.026 20 30 GGEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000191783568 565631741 /nfs/dbraw/zinc/63/17/41/565631741.db2.gz GXMQFUOYQCBGMX-UHFFFAOYSA-N 2 2 387.281 3.047 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000177904900 565880471 /nfs/dbraw/zinc/88/04/71/565880471.db2.gz OFINMNSONOASSM-AWEZNQCLSA-N 2 2 380.330 3.406 20 30 GGEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708862 566003409 /nfs/dbraw/zinc/00/34/09/566003409.db2.gz MXJWNDOYVKGZKV-RBUKOAKNSA-N 2 2 391.357 3.116 20 30 GGEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708862 566003414 /nfs/dbraw/zinc/00/34/14/566003414.db2.gz MXJWNDOYVKGZKV-RBUKOAKNSA-N 2 2 391.357 3.116 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Br ZINC000367949309 566224522 /nfs/dbraw/zinc/22/45/22/566224522.db2.gz CPZZZAQGNIKQLA-BPQIPLTHSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Br ZINC000367949309 566224524 /nfs/dbraw/zinc/22/45/24/566224524.db2.gz CPZZZAQGNIKQLA-BPQIPLTHSA-N 2 2 378.314 3.004 20 30 GGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000543050602 566846696 /nfs/dbraw/zinc/84/66/96/566846696.db2.gz SFBCMQKAIZEAAI-UHFFFAOYSA-N 2 2 391.357 3.316 20 30 GGEDLP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000583750910 566979944 /nfs/dbraw/zinc/97/99/44/566979944.db2.gz SKMYZTILFYMZKQ-QGZVFWFLSA-N 2 2 383.323 3.095 20 30 GGEDLP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000583750909 566980256 /nfs/dbraw/zinc/98/02/56/566980256.db2.gz SKMYZTILFYMZKQ-KRWDZBQOSA-N 2 2 383.323 3.095 20 30 GGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551529975 567514345 /nfs/dbraw/zinc/51/43/45/567514345.db2.gz MLULINVLEZSORD-UHFFFAOYSA-N 2 2 381.314 3.366 20 30 GGEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000047297309 1404793841 /nfs/dbraw/zinc/79/38/41/1404793841.db2.gz NUQNPBTVSGEGFF-UHFFFAOYSA-N 2 2 399.498 3.151 20 30 GGEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000047297309 1404793848 /nfs/dbraw/zinc/79/38/48/1404793848.db2.gz NUQNPBTVSGEGFF-UHFFFAOYSA-N 2 2 399.498 3.151 20 30 GGEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000051400938 1405804843 /nfs/dbraw/zinc/80/48/43/1405804843.db2.gz YNTSXDHBJZLQGR-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000051400938 1405804844 /nfs/dbraw/zinc/80/48/44/1405804844.db2.gz YNTSXDHBJZLQGR-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2cccc(C#N)c2)CC1 ZINC000051400938 1405804846 /nfs/dbraw/zinc/80/48/46/1405804846.db2.gz YNTSXDHBJZLQGR-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2cccc(C#N)c2)CC1 ZINC000051400938 1405804849 /nfs/dbraw/zinc/80/48/49/1405804849.db2.gz YNTSXDHBJZLQGR-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804900 /nfs/dbraw/zinc/80/49/00/1405804900.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804908 /nfs/dbraw/zinc/80/49/08/1405804908.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804910 /nfs/dbraw/zinc/80/49/10/1405804910.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804914 /nfs/dbraw/zinc/80/49/14/1405804914.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805015 /nfs/dbraw/zinc/80/50/15/1405805015.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805016 /nfs/dbraw/zinc/80/50/16/1405805016.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805017 /nfs/dbraw/zinc/80/50/17/1405805017.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805020 /nfs/dbraw/zinc/80/50/20/1405805020.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000052003797 1405896333 /nfs/dbraw/zinc/89/63/33/1405896333.db2.gz ZKFGPWPKZUPWDH-NRFANRHFSA-N 2 2 388.552 3.114 20 30 GGEDLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000057843736 1407736310 /nfs/dbraw/zinc/73/63/10/1407736310.db2.gz QLAOGHUUAYVPNY-UHFFFAOYSA-N 2 2 382.533 3.402 20 30 GGEDLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000057843736 1407736314 /nfs/dbraw/zinc/73/63/14/1407736314.db2.gz QLAOGHUUAYVPNY-UHFFFAOYSA-N 2 2 382.533 3.402 20 30 GGEDLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477312 1407986404 /nfs/dbraw/zinc/98/64/04/1407986404.db2.gz YMHKEMPAAAWYTI-HXUWFJFHSA-N 2 2 390.531 3.286 20 30 GGEDLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477312 1407986411 /nfs/dbraw/zinc/98/64/11/1407986411.db2.gz YMHKEMPAAAWYTI-HXUWFJFHSA-N 2 2 390.531 3.286 20 30 GGEDLP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000061070085 1408074036 /nfs/dbraw/zinc/07/40/36/1408074036.db2.gz VDLJBIUFPKQCIP-UHFFFAOYSA-N 2 2 377.532 3.126 20 30 GGEDLP CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000069747578 1409691207 /nfs/dbraw/zinc/69/12/07/1409691207.db2.gz LHXHXRCMLBFTMR-UHFFFAOYSA-N 2 2 378.520 3.158 20 30 GGEDLP CN(C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109971 1409885467 /nfs/dbraw/zinc/88/54/67/1409885467.db2.gz VGUYXTPICLFHCP-OAQYLSRUSA-N 2 2 382.552 3.125 20 30 GGEDLP CN(C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109971 1409885469 /nfs/dbraw/zinc/88/54/69/1409885469.db2.gz VGUYXTPICLFHCP-OAQYLSRUSA-N 2 2 382.552 3.125 20 30 GGEDLP CN(C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109971 1409885471 /nfs/dbraw/zinc/88/54/71/1409885471.db2.gz VGUYXTPICLFHCP-OAQYLSRUSA-N 2 2 382.552 3.125 20 30 GGEDLP CN(C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109971 1409885473 /nfs/dbraw/zinc/88/54/73/1409885473.db2.gz VGUYXTPICLFHCP-OAQYLSRUSA-N 2 2 382.552 3.125 20 30 GGEDLP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665462 1410184826 /nfs/dbraw/zinc/18/48/26/1410184826.db2.gz WNQNFBUDJJJAHH-PMACEKPBSA-N 2 2 387.568 3.250 20 30 GGEDLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597035 1412725240 /nfs/dbraw/zinc/72/52/40/1412725240.db2.gz QFIBAEYCTIYRPJ-JOCHJYFZSA-N 2 2 376.504 3.106 20 30 GGEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C(N)=O)cc1 ZINC000115598633 1412727286 /nfs/dbraw/zinc/72/72/86/1412727286.db2.gz XNOXNVKYIDMWHM-QFIPXVFZSA-N 2 2 376.504 3.250 20 30 GGEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C(N)=O)cc1 ZINC000115598635 1412727711 /nfs/dbraw/zinc/72/77/11/1412727711.db2.gz XNOXNVKYIDMWHM-JOCHJYFZSA-N 2 2 376.504 3.250 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119835478 1413587029 /nfs/dbraw/zinc/58/70/29/1413587029.db2.gz MHWZNLFMUCIWSS-VXKWHMMOSA-N 2 2 382.552 3.469 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119835478 1413587035 /nfs/dbraw/zinc/58/70/35/1413587035.db2.gz MHWZNLFMUCIWSS-VXKWHMMOSA-N 2 2 382.552 3.469 20 30 GGEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177490131 1428765793 /nfs/dbraw/zinc/76/57/93/1428765793.db2.gz XUEMLKMMIRBZIW-HNNXBMFYSA-N 2 2 392.931 3.018 20 30 GGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@@H]2CSC)c1=S ZINC000130959781 1416487767 /nfs/dbraw/zinc/48/77/67/1416487767.db2.gz VADYHOVNTRVNCN-QGZVFWFLSA-N 2 2 395.642 3.413 20 30 GGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@@H]2CSC)c1=S ZINC000130959781 1416487768 /nfs/dbraw/zinc/48/77/68/1416487768.db2.gz VADYHOVNTRVNCN-QGZVFWFLSA-N 2 2 395.642 3.413 20 30 GGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871284 1417136879 /nfs/dbraw/zinc/13/68/79/1417136879.db2.gz VCWHYLZOCAHXEC-VANXUTSUSA-N 2 2 386.584 3.254 20 30 GGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871284 1417136892 /nfs/dbraw/zinc/13/68/92/1417136892.db2.gz VCWHYLZOCAHXEC-VANXUTSUSA-N 2 2 386.584 3.254 20 30 GGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871284 1417136899 /nfs/dbraw/zinc/13/68/99/1417136899.db2.gz VCWHYLZOCAHXEC-VANXUTSUSA-N 2 2 386.584 3.254 20 30 GGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871284 1417136904 /nfs/dbraw/zinc/13/69/04/1417136904.db2.gz VCWHYLZOCAHXEC-VANXUTSUSA-N 2 2 386.584 3.254 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134941223 1417149075 /nfs/dbraw/zinc/14/90/75/1417149075.db2.gz MIRLTXZTQOZXLF-NNMXDRDESA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134941223 1417149080 /nfs/dbraw/zinc/14/90/80/1417149080.db2.gz MIRLTXZTQOZXLF-NNMXDRDESA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941223 1417149086 /nfs/dbraw/zinc/14/90/86/1417149086.db2.gz MIRLTXZTQOZXLF-NNMXDRDESA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134941223 1417149090 /nfs/dbraw/zinc/14/90/90/1417149090.db2.gz MIRLTXZTQOZXLF-NNMXDRDESA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134941247 1417149107 /nfs/dbraw/zinc/14/91/07/1417149107.db2.gz MIRLTXZTQOZXLF-WOIUINJBSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134941247 1417149111 /nfs/dbraw/zinc/14/91/11/1417149111.db2.gz MIRLTXZTQOZXLF-WOIUINJBSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941247 1417149114 /nfs/dbraw/zinc/14/91/14/1417149114.db2.gz MIRLTXZTQOZXLF-WOIUINJBSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134941247 1417149117 /nfs/dbraw/zinc/14/91/17/1417149117.db2.gz MIRLTXZTQOZXLF-WOIUINJBSA-N 2 2 380.536 3.270 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875863 1429206966 /nfs/dbraw/zinc/20/69/66/1429206966.db2.gz PTVUYSKTPHNFOS-YADHBBJMSA-N 2 2 382.552 3.162 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875863 1429206975 /nfs/dbraw/zinc/20/69/75/1429206975.db2.gz PTVUYSKTPHNFOS-YADHBBJMSA-N 2 2 382.552 3.162 20 30 GGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389450 1429354772 /nfs/dbraw/zinc/35/47/72/1429354772.db2.gz LXOFLVYJYCNXNH-JOCHJYFZSA-N 2 2 392.503 3.406 20 30 GGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389450 1429354779 /nfs/dbraw/zinc/35/47/79/1429354779.db2.gz LXOFLVYJYCNXNH-JOCHJYFZSA-N 2 2 392.503 3.406 20 30 GGEDLP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000155161888 1423203926 /nfs/dbraw/zinc/20/39/26/1423203926.db2.gz BSVHQSNXQHFIHL-HXUWFJFHSA-N 2 2 394.515 3.260 20 30 GGEDLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000155495410 1423386544 /nfs/dbraw/zinc/38/65/44/1423386544.db2.gz CRZRSQAMIFXAOD-UHFFFAOYSA-N 2 2 379.504 3.026 20 30 GGEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000155495410 1423386551 /nfs/dbraw/zinc/38/65/51/1423386551.db2.gz CRZRSQAMIFXAOD-UHFFFAOYSA-N 2 2 379.504 3.026 20 30 GGEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158917877 1424372213 /nfs/dbraw/zinc/37/22/13/1424372213.db2.gz UTEXCLZXRJICAX-VXKWHMMOSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158917877 1424372225 /nfs/dbraw/zinc/37/22/25/1424372225.db2.gz UTEXCLZXRJICAX-VXKWHMMOSA-N 2 2 397.567 3.037 20 30 GGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000180070561 1429723592 /nfs/dbraw/zinc/72/35/92/1429723592.db2.gz QSXSBPKBAXNDHI-UHFFFAOYSA-N 2 2 383.459 3.138 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159949181 1424555475 /nfs/dbraw/zinc/55/54/75/1424555475.db2.gz ASFUCNNZLRPBGO-ZBFHGGJFSA-N 2 2 384.509 3.258 20 30 GGEDLP C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000159958223 1424557293 /nfs/dbraw/zinc/55/72/93/1424557293.db2.gz IYMMPGSJAIIETE-NRFANRHFSA-N 2 2 378.520 3.417 20 30 GGEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000160630176 1424621103 /nfs/dbraw/zinc/62/11/03/1424621103.db2.gz CPRFWZTZCKQBOB-BETUJISGSA-N 2 2 388.434 3.200 20 30 GGEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000160630176 1424621115 /nfs/dbraw/zinc/62/11/15/1424621115.db2.gz CPRFWZTZCKQBOB-BETUJISGSA-N 2 2 388.434 3.200 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598462 1426765479 /nfs/dbraw/zinc/76/54/79/1426765479.db2.gz HPIQKXSEOCMJQF-RBUKOAKNSA-N 2 2 375.582 3.459 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598462 1426765496 /nfs/dbraw/zinc/76/54/96/1426765496.db2.gz HPIQKXSEOCMJQF-RBUKOAKNSA-N 2 2 375.582 3.459 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977219 1426921425 /nfs/dbraw/zinc/92/14/25/1426921425.db2.gz DWDXILPHXSGMJH-FPOVZHCZSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977219 1426921433 /nfs/dbraw/zinc/92/14/33/1426921433.db2.gz DWDXILPHXSGMJH-FPOVZHCZSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977219 1426921439 /nfs/dbraw/zinc/92/14/39/1426921439.db2.gz DWDXILPHXSGMJH-FPOVZHCZSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977219 1426921442 /nfs/dbraw/zinc/92/14/42/1426921442.db2.gz DWDXILPHXSGMJH-FPOVZHCZSA-N 2 2 382.552 3.171 20 30 GGEDLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978664 1426922677 /nfs/dbraw/zinc/92/26/77/1426922677.db2.gz KKVUAEHRYWALKN-JTHBVZDNSA-N 2 2 388.515 3.117 20 30 GGEDLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978664 1426922680 /nfs/dbraw/zinc/92/26/80/1426922680.db2.gz KKVUAEHRYWALKN-JTHBVZDNSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978664 1426922687 /nfs/dbraw/zinc/92/26/87/1426922687.db2.gz KKVUAEHRYWALKN-JTHBVZDNSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978664 1426922690 /nfs/dbraw/zinc/92/26/90/1426922690.db2.gz KKVUAEHRYWALKN-JTHBVZDNSA-N 2 2 388.515 3.117 20 30 GGEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098584 1427001616 /nfs/dbraw/zinc/00/16/16/1427001616.db2.gz MGOLYHLVJKQDRB-UHFFFAOYSA-N 2 2 397.445 3.067 20 30 GGEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098584 1427001623 /nfs/dbraw/zinc/00/16/23/1427001623.db2.gz MGOLYHLVJKQDRB-UHFFFAOYSA-N 2 2 397.445 3.067 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000181421639 1430294669 /nfs/dbraw/zinc/29/46/69/1430294669.db2.gz JHJMIEOMYNPDRV-UHFFFAOYSA-N 2 2 388.515 3.439 20 30 GGEDLP C[C@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181425284 1430296104 /nfs/dbraw/zinc/29/61/04/1430296104.db2.gz DLYLBTVRYXVPKM-OALUTQOASA-N 2 2 384.568 3.000 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000181455153 1430303511 /nfs/dbraw/zinc/30/35/11/1430303511.db2.gz TWNAZHWEJARKDO-UHFFFAOYSA-N 2 2 392.503 3.010 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000181458847 1430304153 /nfs/dbraw/zinc/30/41/53/1430304153.db2.gz MLXAGBLYQAZLDQ-UHFFFAOYSA-N 2 2 375.520 3.308 20 30 GGEDLP CCC(CC)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181460075 1430304434 /nfs/dbraw/zinc/30/44/34/1430304434.db2.gz YFZQIAVGCPIZDI-XMMPIXPASA-N 2 2 398.595 3.249 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000181463278 1430305132 /nfs/dbraw/zinc/30/51/32/1430305132.db2.gz BCJUNHPSCLEMKA-UHFFFAOYSA-N 2 2 392.503 3.010 20 30 GGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000181533256 1430316373 /nfs/dbraw/zinc/31/63/73/1430316373.db2.gz KEGWPOCGMZKFEG-UHFFFAOYSA-N 2 2 395.503 3.338 20 30 GGEDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181612582 1430327863 /nfs/dbraw/zinc/32/78/63/1430327863.db2.gz IFRKMRKJTCDELE-LJQANCHMSA-N 2 2 395.503 3.151 20 30 GGEDLP C[C@H]1C[NH+](CCCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616172 1430328365 /nfs/dbraw/zinc/32/83/65/1430328365.db2.gz DFCNPUQAQPVAFL-PMACEKPBSA-N 3 2 384.568 3.002 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)CC3CCCCC3)CC2)cc1 ZINC000181958993 1430388617 /nfs/dbraw/zinc/38/86/17/1430388617.db2.gz DGDZFCHYSVTVSG-UHFFFAOYSA-N 2 2 382.552 3.199 20 30 GGEDLP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000182095020 1430410674 /nfs/dbraw/zinc/41/06/74/1430410674.db2.gz PUEAIWPJSQHSKF-OAQYLSRUSA-N 2 2 398.551 3.416 20 30 GGEDLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000182095000 1430410765 /nfs/dbraw/zinc/41/07/65/1430410765.db2.gz PUEAIWPJSQHSKF-NRFANRHFSA-N 2 2 398.551 3.416 20 30 GGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1sccc1C#N ZINC000184750179 1430965376 /nfs/dbraw/zinc/96/53/76/1430965376.db2.gz GFCCISTXLAOYBA-NYTJIUQPSA-N 2 2 382.533 3.304 20 30 GGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1sccc1C#N ZINC000184750179 1430965387 /nfs/dbraw/zinc/96/53/87/1430965387.db2.gz GFCCISTXLAOYBA-NYTJIUQPSA-N 2 2 382.533 3.304 20 30 GGEDLP C=C(C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185831481 1431246173 /nfs/dbraw/zinc/24/61/73/1431246173.db2.gz NEVVJDQKQRDLFU-HXUWFJFHSA-N 2 2 394.510 3.249 20 30 GGEDLP C=C(C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185831481 1431246178 /nfs/dbraw/zinc/24/61/78/1431246178.db2.gz NEVVJDQKQRDLFU-HXUWFJFHSA-N 2 2 394.510 3.249 20 30 GGEDLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187064032 1431603526 /nfs/dbraw/zinc/60/35/26/1431603526.db2.gz CJHDBNFZFKEMMV-UHFFFAOYSA-N 2 2 390.959 3.128 20 30 GGEDLP CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000187695170 1431801143 /nfs/dbraw/zinc/80/11/43/1431801143.db2.gz HMXVUZKFUBYEPW-GOSISDBHSA-N 2 2 398.551 3.369 20 30 GGEDLP C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318187 1432360201 /nfs/dbraw/zinc/36/02/01/1432360201.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 2 2 393.531 3.438 20 30 GGEDLP C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318187 1432360206 /nfs/dbraw/zinc/36/02/06/1432360206.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 2 2 393.531 3.438 20 30 GGEDLP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190318187 1432360209 /nfs/dbraw/zinc/36/02/09/1432360209.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 2 2 393.531 3.438 20 30 GGEDLP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190318187 1432360212 /nfs/dbraw/zinc/36/02/12/1432360212.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 2 2 393.531 3.438 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357067 1432836136 /nfs/dbraw/zinc/83/61/36/1432836136.db2.gz VKRGTMWBQMNMKH-AUSIDOKSSA-N 2 2 379.504 3.358 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357067 1432836139 /nfs/dbraw/zinc/83/61/39/1432836139.db2.gz VKRGTMWBQMNMKH-AUSIDOKSSA-N 2 2 379.504 3.358 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357075 1432836324 /nfs/dbraw/zinc/83/63/24/1432836324.db2.gz VKRGTMWBQMNMKH-XXBNENTESA-N 2 2 379.504 3.358 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357075 1432836325 /nfs/dbraw/zinc/83/63/25/1432836325.db2.gz VKRGTMWBQMNMKH-XXBNENTESA-N 2 2 379.504 3.358 20 30 GGEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358109 1432836507 /nfs/dbraw/zinc/83/65/07/1432836507.db2.gz NSZOHDWEUGNMBG-DEOSSOPVSA-N 2 2 392.547 3.417 20 30 GGEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358109 1432836508 /nfs/dbraw/zinc/83/65/08/1432836508.db2.gz NSZOHDWEUGNMBG-DEOSSOPVSA-N 2 2 392.547 3.417 20 30 GGEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358101 1432836579 /nfs/dbraw/zinc/83/65/79/1432836579.db2.gz NSZOHDWEUGNMBG-XMMPIXPASA-N 2 2 392.547 3.417 20 30 GGEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358101 1432836581 /nfs/dbraw/zinc/83/65/81/1432836581.db2.gz NSZOHDWEUGNMBG-XMMPIXPASA-N 2 2 392.547 3.417 20 30 GGEDLP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245606632 1433490363 /nfs/dbraw/zinc/49/03/63/1433490363.db2.gz NKEUZZZPBLDSEL-VQIMIIECSA-N 2 2 385.899 3.366 20 30 GGEDLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245606632 1433490364 /nfs/dbraw/zinc/49/03/64/1433490364.db2.gz NKEUZZZPBLDSEL-VQIMIIECSA-N 2 2 385.899 3.366 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246789954 1433667113 /nfs/dbraw/zinc/66/71/13/1433667113.db2.gz PKORVZJBMQNACN-LEWJYISDSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246789954 1433667118 /nfs/dbraw/zinc/66/71/18/1433667118.db2.gz PKORVZJBMQNACN-LEWJYISDSA-N 2 2 383.540 3.359 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247783142 1433751276 /nfs/dbraw/zinc/75/12/76/1433751276.db2.gz XXPDNZYSDSBXDO-CTNGQTDRSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247783142 1433751277 /nfs/dbraw/zinc/75/12/77/1433751277.db2.gz XXPDNZYSDSBXDO-CTNGQTDRSA-N 2 2 379.508 3.330 20 30 GGEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCSC2(CCCCC2)C1 ZINC000261766624 1433902452 /nfs/dbraw/zinc/90/24/52/1433902452.db2.gz DKLGNQODHFTAET-UHFFFAOYSA-N 2 2 398.580 3.403 20 30 GGEDLP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCc2sccc2C1 ZINC000261963645 1433916964 /nfs/dbraw/zinc/91/69/64/1433916964.db2.gz AFWACMVYQUBRTG-AWEZNQCLSA-N 2 2 386.521 3.083 20 30 GGEDLP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCc2sccc2C1 ZINC000261963645 1433916974 /nfs/dbraw/zinc/91/69/74/1433916974.db2.gz AFWACMVYQUBRTG-AWEZNQCLSA-N 2 2 386.521 3.083 20 30 GGEDLP CC[NH+]=C(NCc1cccc2cccnc21)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977266 1433918823 /nfs/dbraw/zinc/91/88/23/1433918823.db2.gz NXNRGVCMSBKGMA-FXAWDEMLSA-N 2 2 376.508 3.480 20 30 GGEDLP C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261982560 1433919135 /nfs/dbraw/zinc/91/91/35/1433919135.db2.gz PEYHKNJPSJSOIV-WMLDXEAASA-N 2 2 375.517 3.403 20 30 GGEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CC[C@H](Cc2ccccc2)C1 ZINC000262489213 1433940862 /nfs/dbraw/zinc/94/08/62/1433940862.db2.gz UGAZCZSFSRTRHI-HXUWFJFHSA-N 2 2 388.519 3.216 20 30 GGEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N(C)Cc1ccccc1Cl ZINC000262565968 1433943793 /nfs/dbraw/zinc/94/37/93/1433943793.db2.gz LGSJBSNYLXBFHB-UHFFFAOYSA-N 2 2 382.899 3.437 20 30 GGEDLP COC[C@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264125076 1434073836 /nfs/dbraw/zinc/07/38/36/1434073836.db2.gz WBFBLIYUSACTRZ-KRWDZBQOSA-N 2 2 377.492 3.038 20 30 GGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000271871329 1434856101 /nfs/dbraw/zinc/85/61/01/1434856101.db2.gz MRBZCUGBCWTEEY-UHFFFAOYSA-N 2 2 380.448 3.229 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000271878961 1434856788 /nfs/dbraw/zinc/85/67/88/1434856788.db2.gz OWXMDFFRKNHOMK-UHFFFAOYSA-N 2 2 390.531 3.149 20 30 GGEDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271955890 1434861673 /nfs/dbraw/zinc/86/16/73/1434861673.db2.gz PZNKYWCPBSWVDH-KRWDZBQOSA-N 2 2 383.467 3.259 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788823 1435092673 /nfs/dbraw/zinc/09/26/73/1435092673.db2.gz BOHAZDDEWPJURT-SVFBPWRDSA-N 2 2 382.552 3.218 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788823 1435092674 /nfs/dbraw/zinc/09/26/74/1435092674.db2.gz BOHAZDDEWPJURT-SVFBPWRDSA-N 2 2 382.552 3.218 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796717 1435093189 /nfs/dbraw/zinc/09/31/89/1435093189.db2.gz DHEJYKRTBLRVFC-BBTUJRGHSA-N 2 2 376.504 3.385 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796717 1435093191 /nfs/dbraw/zinc/09/31/91/1435093191.db2.gz DHEJYKRTBLRVFC-BBTUJRGHSA-N 2 2 376.504 3.385 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796720 1435093407 /nfs/dbraw/zinc/09/34/07/1435093407.db2.gz DHEJYKRTBLRVFC-LVCYWYKZSA-N 2 2 376.504 3.385 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796720 1435093410 /nfs/dbraw/zinc/09/34/10/1435093410.db2.gz DHEJYKRTBLRVFC-LVCYWYKZSA-N 2 2 376.504 3.385 20 30 GGEDLP N#CCCN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278751561 1435420023 /nfs/dbraw/zinc/42/00/23/1435420023.db2.gz AWMSLXCPAYDPRZ-UHFFFAOYSA-N 2 2 391.519 3.346 20 30 GGEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278918009 1435439712 /nfs/dbraw/zinc/43/97/12/1435439712.db2.gz REQDTJVASNANKD-INIZCTEOSA-N 2 2 377.492 3.298 20 30 GGEDLP N#CCCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345808 1435488966 /nfs/dbraw/zinc/48/89/66/1435488966.db2.gz FNLZHZMXANQBII-UGKGYDQZSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345808 1435488969 /nfs/dbraw/zinc/48/89/69/1435488969.db2.gz FNLZHZMXANQBII-UGKGYDQZSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345808 1435488974 /nfs/dbraw/zinc/48/89/74/1435488974.db2.gz FNLZHZMXANQBII-UGKGYDQZSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345808 1435488977 /nfs/dbraw/zinc/48/89/77/1435488977.db2.gz FNLZHZMXANQBII-UGKGYDQZSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345792 1435489070 /nfs/dbraw/zinc/48/90/70/1435489070.db2.gz FNLZHZMXANQBII-DENIHFKCSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345792 1435489072 /nfs/dbraw/zinc/48/90/72/1435489072.db2.gz FNLZHZMXANQBII-DENIHFKCSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345792 1435489075 /nfs/dbraw/zinc/48/90/75/1435489075.db2.gz FNLZHZMXANQBII-DENIHFKCSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345792 1435489078 /nfs/dbraw/zinc/48/90/78/1435489078.db2.gz FNLZHZMXANQBII-DENIHFKCSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345803 1435489138 /nfs/dbraw/zinc/48/91/38/1435489138.db2.gz FNLZHZMXANQBII-SIKLNZKXSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345803 1435489140 /nfs/dbraw/zinc/48/91/40/1435489140.db2.gz FNLZHZMXANQBII-SIKLNZKXSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345803 1435489143 /nfs/dbraw/zinc/48/91/43/1435489143.db2.gz FNLZHZMXANQBII-SIKLNZKXSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345803 1435489144 /nfs/dbraw/zinc/48/91/44/1435489144.db2.gz FNLZHZMXANQBII-SIKLNZKXSA-N 2 2 390.535 3.307 20 30 GGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280181468 1435604549 /nfs/dbraw/zinc/60/45/49/1435604549.db2.gz AFDVOGAKGFFXAQ-SFHVURJKSA-N 2 2 399.988 3.329 20 30 GGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000282513984 1435849821 /nfs/dbraw/zinc/84/98/21/1435849821.db2.gz OVZYYQRGMXTSCK-QFIPXVFZSA-N 2 2 390.531 3.065 20 30 GGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000282513984 1435849822 /nfs/dbraw/zinc/84/98/22/1435849822.db2.gz OVZYYQRGMXTSCK-QFIPXVFZSA-N 2 2 390.531 3.065 20 30 GGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164696723 719896849 /nfs/dbraw/zinc/89/68/49/719896849.db2.gz HXYCRDDSCTXTAM-UHFFFAOYSA-N 2 2 393.516 3.367 20 30 GGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164696723 719896850 /nfs/dbraw/zinc/89/68/50/719896850.db2.gz HXYCRDDSCTXTAM-UHFFFAOYSA-N 2 2 393.516 3.367 20 30 GGEDLP Cc1ccc(CC#N)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164707733 719899479 /nfs/dbraw/zinc/89/94/79/719899479.db2.gz WUMVOOFGTAUGFS-UHFFFAOYSA-N 2 2 382.533 3.389 20 30 GGEDLP Cc1ccc(CC#N)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164707733 719899480 /nfs/dbraw/zinc/89/94/80/719899480.db2.gz WUMVOOFGTAUGFS-UHFFFAOYSA-N 2 2 382.533 3.389 20 30 GGEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809120 720101926 /nfs/dbraw/zinc/10/19/26/720101926.db2.gz HCFKXZAJRQJZLY-REWPJTCUSA-N 2 2 376.504 3.291 20 30 GGEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809120 720101932 /nfs/dbraw/zinc/10/19/32/720101932.db2.gz HCFKXZAJRQJZLY-REWPJTCUSA-N 2 2 376.504 3.291 20 30 GGEDLP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835578 720584538 /nfs/dbraw/zinc/58/45/38/720584538.db2.gz BKNGBCPLCOKHQI-XKGZKEIXSA-N 2 2 389.507 3.009 20 30 GGEDLP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835578 720584562 /nfs/dbraw/zinc/58/45/62/720584562.db2.gz BKNGBCPLCOKHQI-XKGZKEIXSA-N 2 2 389.507 3.009 20 30 GGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(C#N)c1 ZINC000824546236 946786814 /nfs/dbraw/zinc/78/68/14/946786814.db2.gz HRFVRWDOZYZCRV-MRXNPFEDSA-N 2 2 387.491 3.054 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415122346 565974330 /nfs/dbraw/zinc/97/43/30/565974330.db2.gz IDZYRCOZWCGKGV-HIFRSBDPSA-N 2 2 383.330 3.439 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415122346 565974331 /nfs/dbraw/zinc/97/43/31/565974331.db2.gz IDZYRCOZWCGKGV-HIFRSBDPSA-N 2 2 383.330 3.439 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415122352 565974780 /nfs/dbraw/zinc/97/47/80/565974780.db2.gz IDZYRCOZWCGKGV-ZFWWWQNUSA-N 2 2 383.330 3.439 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415122352 565974782 /nfs/dbraw/zinc/97/47/82/565974782.db2.gz IDZYRCOZWCGKGV-ZFWWWQNUSA-N 2 2 383.330 3.439 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1Br ZINC000365193261 566089031 /nfs/dbraw/zinc/08/90/31/566089031.db2.gz ZTENBLVKYZYIGJ-NJAFHUGGSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1Br ZINC000365193261 566089035 /nfs/dbraw/zinc/08/90/35/566089035.db2.gz ZTENBLVKYZYIGJ-NJAFHUGGSA-N 2 2 378.314 3.004 20 30 GGEDLP C[C@H](CC[N@H+](C)Cc1cccc(C#N)c1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820242947 607264126 /nfs/dbraw/zinc/26/41/26/607264126.db2.gz ROAGNICPUXEORZ-QGZVFWFLSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@H](CC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820242947 607264127 /nfs/dbraw/zinc/26/41/27/607264127.db2.gz ROAGNICPUXEORZ-QGZVFWFLSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@H](CC[NH+](C)Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820242947 607264128 /nfs/dbraw/zinc/26/41/28/607264128.db2.gz ROAGNICPUXEORZ-QGZVFWFLSA-N 2 2 389.507 3.081 20 30 GGEDLP C[C@H](CC[NH+](C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820242947 607264129 /nfs/dbraw/zinc/26/41/29/607264129.db2.gz ROAGNICPUXEORZ-QGZVFWFLSA-N 2 2 389.507 3.081 20 30 GGEDLP CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760507 1405861492 /nfs/dbraw/zinc/86/14/92/1405861492.db2.gz PZJWEQQMXPCOOC-UHFFFAOYSA-N 2 2 397.567 3.038 20 30 GGEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065930479 1408756411 /nfs/dbraw/zinc/75/64/11/1408756411.db2.gz WZQHGOYGXHYAER-UHFFFAOYSA-N 2 2 387.487 3.007 20 30 GGEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000067122177 1409013516 /nfs/dbraw/zinc/01/35/16/1409013516.db2.gz AMIYBOTYGONXLD-QHCPKHFHSA-N 2 2 393.531 3.320 20 30 GGEDLP CN(C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109970 1409885326 /nfs/dbraw/zinc/88/53/26/1409885326.db2.gz VGUYXTPICLFHCP-NRFANRHFSA-N 2 2 382.552 3.125 20 30 GGEDLP CN(C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109970 1409885328 /nfs/dbraw/zinc/88/53/28/1409885328.db2.gz VGUYXTPICLFHCP-NRFANRHFSA-N 2 2 382.552 3.125 20 30 GGEDLP CN(C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109970 1409885330 /nfs/dbraw/zinc/88/53/30/1409885330.db2.gz VGUYXTPICLFHCP-NRFANRHFSA-N 2 2 382.552 3.125 20 30 GGEDLP CN(C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000076109970 1409885333 /nfs/dbraw/zinc/88/53/33/1409885333.db2.gz VGUYXTPICLFHCP-NRFANRHFSA-N 2 2 382.552 3.125 20 30 GGEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000104158999 1410885879 /nfs/dbraw/zinc/88/58/79/1410885879.db2.gz DEFMMNIYLGGKLZ-IYBDPMFKSA-N 2 2 392.544 3.098 20 30 GGEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000104158999 1410885880 /nfs/dbraw/zinc/88/58/80/1410885880.db2.gz DEFMMNIYLGGKLZ-IYBDPMFKSA-N 2 2 392.544 3.098 20 30 GGEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000110991084 1411880884 /nfs/dbraw/zinc/88/08/84/1411880884.db2.gz REJYUAQWSAWGDL-RTBURBONSA-N 2 2 387.568 3.295 20 30 GGEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991081 1411881067 /nfs/dbraw/zinc/88/10/67/1411881067.db2.gz REJYUAQWSAWGDL-KDURUIRLSA-N 2 2 387.568 3.295 20 30 GGEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991081 1411881069 /nfs/dbraw/zinc/88/10/69/1411881069.db2.gz REJYUAQWSAWGDL-KDURUIRLSA-N 2 2 387.568 3.295 20 30 GGEDLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597060 1412724592 /nfs/dbraw/zinc/72/45/92/1412724592.db2.gz DLPUEEGCPQOZAB-VGSWGCGISA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597060 1412724599 /nfs/dbraw/zinc/72/45/99/1412724599.db2.gz DLPUEEGCPQOZAB-VGSWGCGISA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597014 1412725135 /nfs/dbraw/zinc/72/51/35/1412725135.db2.gz PHUFCNAWAAWNAL-VGSWGCGISA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597014 1412725154 /nfs/dbraw/zinc/72/51/54/1412725154.db2.gz PHUFCNAWAAWNAL-VGSWGCGISA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000119707095 1413539383 /nfs/dbraw/zinc/53/93/83/1413539383.db2.gz MNWMEFXRNFOGGP-KDURUIRLSA-N 2 2 381.524 3.053 20 30 GGEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000119707095 1413539393 /nfs/dbraw/zinc/53/93/93/1413539393.db2.gz MNWMEFXRNFOGGP-KDURUIRLSA-N 2 2 381.524 3.053 20 30 GGEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177490149 1428765678 /nfs/dbraw/zinc/76/56/78/1428765678.db2.gz XUEMLKMMIRBZIW-OAHLLOKOSA-N 2 2 392.931 3.018 20 30 GGEDLP C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625288 1414204634 /nfs/dbraw/zinc/20/46/34/1414204634.db2.gz BRVGUBWOCGKNSP-HSZRJFAPSA-N 2 2 393.531 3.089 20 30 GGEDLP C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625288 1414204638 /nfs/dbraw/zinc/20/46/38/1414204638.db2.gz BRVGUBWOCGKNSP-HSZRJFAPSA-N 2 2 393.531 3.089 20 30 GGEDLP CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000122258685 1414404042 /nfs/dbraw/zinc/40/40/42/1414404042.db2.gz DNYSSCVRPNNFCD-UHFFFAOYSA-N 2 2 399.539 3.026 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123704624 1414812792 /nfs/dbraw/zinc/81/27/92/1414812792.db2.gz IGJAZSXEDVNAOS-HXUWFJFHSA-N 2 2 393.535 3.238 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123704624 1414812795 /nfs/dbraw/zinc/81/27/95/1414812795.db2.gz IGJAZSXEDVNAOS-HXUWFJFHSA-N 2 2 393.535 3.238 20 30 GGEDLP Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1C#N ZINC000124284349 1414929199 /nfs/dbraw/zinc/92/91/99/1414929199.db2.gz WHEWEYFWXDLHMP-UHFFFAOYSA-N 2 2 390.491 3.123 20 30 GGEDLP Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1C#N ZINC000124284349 1414929206 /nfs/dbraw/zinc/92/92/06/1414929206.db2.gz WHEWEYFWXDLHMP-UHFFFAOYSA-N 2 2 390.491 3.123 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000177906632 1428888315 /nfs/dbraw/zinc/88/83/15/1428888315.db2.gz HPKPIMUCZCLIKD-QGZVFWFLSA-N 2 2 379.570 3.018 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000177906800 1428888869 /nfs/dbraw/zinc/88/88/69/1428888869.db2.gz HPKPIMUCZCLIKD-KRWDZBQOSA-N 2 2 379.570 3.018 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129368776 1416197784 /nfs/dbraw/zinc/19/77/84/1416197784.db2.gz QCTAKSBTELBYMQ-HBFSDRIKSA-N 2 2 395.507 3.110 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129368776 1416197790 /nfs/dbraw/zinc/19/77/90/1416197790.db2.gz QCTAKSBTELBYMQ-HBFSDRIKSA-N 2 2 395.507 3.110 20 30 GGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129515571 1416221602 /nfs/dbraw/zinc/22/16/02/1416221602.db2.gz WAJDIJYGRPKAQG-IRFCIJBXSA-N 2 2 379.508 3.410 20 30 GGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129515571 1416221605 /nfs/dbraw/zinc/22/16/05/1416221605.db2.gz WAJDIJYGRPKAQG-IRFCIJBXSA-N 2 2 379.508 3.410 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129582738 1416232306 /nfs/dbraw/zinc/23/23/06/1416232306.db2.gz XEKKVJHVFPXJIV-WIYYLYMNSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129582738 1416232310 /nfs/dbraw/zinc/23/23/10/1416232310.db2.gz XEKKVJHVFPXJIV-WIYYLYMNSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000130661815 1416419766 /nfs/dbraw/zinc/41/97/66/1416419766.db2.gz VLWRWVUGPLZKLS-INIZCTEOSA-N 2 2 385.537 3.404 20 30 GGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000131292731 1416535868 /nfs/dbraw/zinc/53/58/68/1416535868.db2.gz PAACQKJSFURRIZ-HXUWFJFHSA-N 2 2 393.535 3.238 20 30 GGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131305904 1416537870 /nfs/dbraw/zinc/53/78/70/1416537870.db2.gz AZNSNGAYGAWRSX-KRWDZBQOSA-N 2 2 399.926 3.275 20 30 GGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131305904 1416537873 /nfs/dbraw/zinc/53/78/73/1416537873.db2.gz AZNSNGAYGAWRSX-KRWDZBQOSA-N 2 2 399.926 3.275 20 30 GGEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877569 1429208392 /nfs/dbraw/zinc/20/83/92/1429208392.db2.gz UEZRLEAXMMPAOW-DGXQFHRRSA-N 2 2 394.563 3.367 20 30 GGEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877569 1429208401 /nfs/dbraw/zinc/20/84/01/1429208401.db2.gz UEZRLEAXMMPAOW-DGXQFHRRSA-N 2 2 394.563 3.367 20 30 GGEDLP Cn1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180050272 1429714325 /nfs/dbraw/zinc/71/43/25/1429714325.db2.gz YZBJXZIZNGBEAN-UHFFFAOYSA-N 2 2 395.576 3.410 20 30 GGEDLP C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159949457 1424555841 /nfs/dbraw/zinc/55/58/41/1424555841.db2.gz ASFUCNNZLRPBGO-GDBMZVCRSA-N 2 2 384.509 3.258 20 30 GGEDLP C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160064829 1424569357 /nfs/dbraw/zinc/56/93/57/1424569357.db2.gz ZXLYPYKEXXXLBZ-HOTGVXAUSA-N 2 2 388.585 3.338 20 30 GGEDLP CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972299 1426917688 /nfs/dbraw/zinc/91/76/88/1426917688.db2.gz HOEQJSIZZJVVNI-UHFFFAOYSA-N 2 2 377.492 3.130 20 30 GGEDLP CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972299 1426917694 /nfs/dbraw/zinc/91/76/94/1426917694.db2.gz HOEQJSIZZJVVNI-UHFFFAOYSA-N 2 2 377.492 3.130 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977231 1426921281 /nfs/dbraw/zinc/92/12/81/1426921281.db2.gz DWDXILPHXSGMJH-CTNGQTDRSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977231 1426921284 /nfs/dbraw/zinc/92/12/84/1426921284.db2.gz DWDXILPHXSGMJH-CTNGQTDRSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977231 1426921287 /nfs/dbraw/zinc/92/12/87/1426921287.db2.gz DWDXILPHXSGMJH-CTNGQTDRSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977231 1426921293 /nfs/dbraw/zinc/92/12/93/1426921293.db2.gz DWDXILPHXSGMJH-CTNGQTDRSA-N 2 2 382.552 3.171 20 30 GGEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000181416182 1430292787 /nfs/dbraw/zinc/29/27/87/1430292787.db2.gz PTWJUOVNWLJEKA-UHFFFAOYSA-N 2 2 395.503 3.338 20 30 GGEDLP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181425261 1430295872 /nfs/dbraw/zinc/29/58/72/1430295872.db2.gz DLYLBTVRYXVPKM-KDURUIRLSA-N 2 2 384.568 3.000 20 30 GGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181594659 1430325388 /nfs/dbraw/zinc/32/53/88/1430325388.db2.gz VRNHFBPTJFMULM-KRWDZBQOSA-N 2 2 397.544 3.277 20 30 GGEDLP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616156 1430328457 /nfs/dbraw/zinc/32/84/57/1430328457.db2.gz DFCNPUQAQPVAFL-BGYRXZFFSA-N 3 2 384.568 3.002 20 30 GGEDLP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181616156 1430328460 /nfs/dbraw/zinc/32/84/60/1430328460.db2.gz DFCNPUQAQPVAFL-BGYRXZFFSA-N 3 2 384.568 3.002 20 30 GGEDLP CC(C)CC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181620281 1430329240 /nfs/dbraw/zinc/32/92/40/1430329240.db2.gz KCCBOAHZFOWMIQ-UHFFFAOYSA-N 2 2 382.552 3.149 20 30 GGEDLP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181800312 1430363243 /nfs/dbraw/zinc/36/32/43/1430363243.db2.gz KJABCCVOXYOFFW-NRFANRHFSA-N 2 2 398.551 3.416 20 30 GGEDLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccc(F)cc1 ZINC000181856368 1430372959 /nfs/dbraw/zinc/37/29/59/1430372959.db2.gz JPQYXEGCRXQVKW-UHFFFAOYSA-N 2 2 380.511 3.383 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(C(=O)C4CCCCC4)C3)CC2)cc1 ZINC000181899888 1430380233 /nfs/dbraw/zinc/38/02/33/1430380233.db2.gz GYUPPTFVGSGKBR-HSZRJFAPSA-N 2 2 394.563 3.293 20 30 GGEDLP Cn1c(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2c1cccc2F ZINC000181961974 1430389086 /nfs/dbraw/zinc/38/90/86/1430389086.db2.gz SALBWCLXXDJOOL-UHFFFAOYSA-N 2 2 391.494 3.381 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000182050274 1430402035 /nfs/dbraw/zinc/40/20/35/1430402035.db2.gz GGFCTYIVZWTYNJ-UHFFFAOYSA-N 2 2 387.487 3.405 20 30 GGEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891060 1430809352 /nfs/dbraw/zinc/80/93/52/1430809352.db2.gz QSJGKAZRZJYIDT-QGZVFWFLSA-N 2 2 394.441 3.421 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190319286 1432360484 /nfs/dbraw/zinc/36/04/84/1432360484.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190319286 1432360486 /nfs/dbraw/zinc/36/04/86/1432360486.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000190319286 1432360489 /nfs/dbraw/zinc/36/04/89/1432360489.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000190319286 1432360492 /nfs/dbraw/zinc/36/04/92/1432360492.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 2 2 379.504 3.046 20 30 GGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512871 1432676381 /nfs/dbraw/zinc/67/63/81/1432676381.db2.gz NTBGNCCLXUOILQ-FQEVSTJZSA-N 2 2 379.508 3.225 20 30 GGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512871 1432676388 /nfs/dbraw/zinc/67/63/88/1432676388.db2.gz NTBGNCCLXUOILQ-FQEVSTJZSA-N 2 2 379.508 3.225 20 30 GGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000194062188 1433110055 /nfs/dbraw/zinc/11/00/55/1433110055.db2.gz BNZYPSWRVJAZBI-UHFFFAOYSA-N 2 2 377.326 3.425 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237486923 1433405867 /nfs/dbraw/zinc/40/58/67/1433405867.db2.gz ABUWWRICJXTCEM-FQEVSTJZSA-N 2 2 378.520 3.279 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237593261 1433411480 /nfs/dbraw/zinc/41/14/80/1433411480.db2.gz ABUWWRICJXTCEM-HXUWFJFHSA-N 2 2 378.520 3.279 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441814 1433468150 /nfs/dbraw/zinc/46/81/50/1433468150.db2.gz HPIQKXSEOCMJQF-OALUTQOASA-N 2 2 375.582 3.459 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441814 1433468151 /nfs/dbraw/zinc/46/81/51/1433468151.db2.gz HPIQKXSEOCMJQF-OALUTQOASA-N 2 2 375.582 3.459 20 30 GGEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008371 1433557018 /nfs/dbraw/zinc/55/70/18/1433557018.db2.gz SQWHQUWGYXSMKT-UGKGYDQZSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008371 1433557024 /nfs/dbraw/zinc/55/70/24/1433557024.db2.gz SQWHQUWGYXSMKT-UGKGYDQZSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008371 1433557030 /nfs/dbraw/zinc/55/70/30/1433557030.db2.gz SQWHQUWGYXSMKT-UGKGYDQZSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008371 1433557036 /nfs/dbraw/zinc/55/70/36/1433557036.db2.gz SQWHQUWGYXSMKT-UGKGYDQZSA-N 2 2 375.520 3.407 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246052837 1433562063 /nfs/dbraw/zinc/56/20/63/1433562063.db2.gz AZCZYTYEIUBLBW-FGZHOGPDSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246052837 1433562064 /nfs/dbraw/zinc/56/20/64/1433562064.db2.gz AZCZYTYEIUBLBW-FGZHOGPDSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000255130628 1433877111 /nfs/dbraw/zinc/87/71/11/1433877111.db2.gz UEZRLEAXMMPAOW-KWQVGVJHSA-N 2 2 394.563 3.367 20 30 GGEDLP CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000255130628 1433877113 /nfs/dbraw/zinc/87/71/13/1433877113.db2.gz UEZRLEAXMMPAOW-KWQVGVJHSA-N 2 2 394.563 3.367 20 30 GGEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CCC(OC(C)(C)C)CC1 ZINC000261693093 1433899263 /nfs/dbraw/zinc/89/92/63/1433899263.db2.gz FIMMGLMPOPZIDK-MRXNPFEDSA-N 2 2 392.613 3.350 20 30 GGEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CCC(OC(C)(C)C)CC1 ZINC000261693093 1433899265 /nfs/dbraw/zinc/89/92/65/1433899265.db2.gz FIMMGLMPOPZIDK-MRXNPFEDSA-N 2 2 392.613 3.350 20 30 GGEDLP C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261951509 1433915852 /nfs/dbraw/zinc/91/58/52/1433915852.db2.gz HMYYAQLFCKTALI-GXTWGEPZSA-N 2 2 396.358 3.366 20 30 GGEDLP C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261951510 1433915918 /nfs/dbraw/zinc/91/59/18/1433915918.db2.gz HMYYAQLFCKTALI-JSGCOSHPSA-N 2 2 396.358 3.366 20 30 GGEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261967117 1433917758 /nfs/dbraw/zinc/91/77/58/1433917758.db2.gz LSPXLHAWLYVFSL-NWDGAFQWSA-N 2 2 386.447 3.017 20 30 GGEDLP CC[NH+]=C(NCc1ccc2c(c1)OCCCO2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261986521 1433919478 /nfs/dbraw/zinc/91/94/78/1433919478.db2.gz QFIGKHUIQPPOKI-HKUYNNGSSA-N 2 2 397.523 3.093 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000267067357 1434404808 /nfs/dbraw/zinc/40/48/08/1434404808.db2.gz RPWTUHPVJAEEMA-SFHVURJKSA-N 2 2 393.597 3.130 20 30 GGEDLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000268000170 1434485751 /nfs/dbraw/zinc/48/57/51/1434485751.db2.gz CTABLUZYQYUZJU-UHFFFAOYSA-N 2 2 382.533 3.029 20 30 GGEDLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000268000170 1434485754 /nfs/dbraw/zinc/48/57/54/1434485754.db2.gz CTABLUZYQYUZJU-UHFFFAOYSA-N 2 2 382.533 3.029 20 30 GGEDLP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000271831517 1434853452 /nfs/dbraw/zinc/85/34/52/1434853452.db2.gz DXMCWRXEVPMSGN-UHFFFAOYSA-N 2 2 376.504 3.014 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917374 1434859169 /nfs/dbraw/zinc/85/91/69/1434859169.db2.gz ZGQWVRSROSMQKB-ZEYPLWLESA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917374 1434859171 /nfs/dbraw/zinc/85/91/71/1434859171.db2.gz ZGQWVRSROSMQKB-ZEYPLWLESA-N 2 2 379.504 3.123 20 30 GGEDLP CC1(C#N)CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000272652182 1434919857 /nfs/dbraw/zinc/91/98/57/1434919857.db2.gz ZOJMKCCYVVEKGC-LJQANCHMSA-N 2 2 388.943 3.219 20 30 GGEDLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275583309 1435150508 /nfs/dbraw/zinc/15/05/08/1435150508.db2.gz DTIXKDMIIOHBDZ-UHFFFAOYSA-N 2 2 391.519 3.012 20 30 GGEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278751650 1435420036 /nfs/dbraw/zinc/42/00/36/1435420036.db2.gz AXRACRDEXWMGSR-INIZCTEOSA-N 2 2 377.492 3.298 20 30 GGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000282513980 1435849777 /nfs/dbraw/zinc/84/97/77/1435849777.db2.gz OVZYYQRGMXTSCK-JOCHJYFZSA-N 2 2 390.531 3.065 20 30 GGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000282513980 1435849778 /nfs/dbraw/zinc/84/97/78/1435849778.db2.gz OVZYYQRGMXTSCK-JOCHJYFZSA-N 2 2 390.531 3.065 20 30 GGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000282605185 1435853400 /nfs/dbraw/zinc/85/34/00/1435853400.db2.gz YMQYMGSWFDEJAF-SFHVURJKSA-N 2 2 382.533 3.449 20 30 GGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000282605185 1435853401 /nfs/dbraw/zinc/85/34/01/1435853401.db2.gz YMQYMGSWFDEJAF-SFHVURJKSA-N 2 2 382.533 3.449 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000284111114 1435992078 /nfs/dbraw/zinc/99/20/78/1435992078.db2.gz GPQSBWSADAVFGW-SFTDATJTSA-N 2 2 386.515 3.107 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000284111114 1435992087 /nfs/dbraw/zinc/99/20/87/1435992087.db2.gz GPQSBWSADAVFGW-SFTDATJTSA-N 2 2 386.515 3.107 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836182 720616448 /nfs/dbraw/zinc/61/64/48/720616448.db2.gz FDDYOXCCYPIMTR-NJDAHSKKSA-N 2 2 378.524 3.030 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836182 720616456 /nfs/dbraw/zinc/61/64/56/720616456.db2.gz FDDYOXCCYPIMTR-NJDAHSKKSA-N 2 2 378.524 3.030 20 30 GGEDLP C=CC[NH+]1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165031826 721870335 /nfs/dbraw/zinc/87/03/35/721870335.db2.gz AYKUTLZDVQRUTM-UHFFFAOYSA-N 2 2 397.592 3.474 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415122349 565974347 /nfs/dbraw/zinc/97/43/47/565974347.db2.gz IDZYRCOZWCGKGV-UKRRQHHQSA-N 2 2 383.330 3.439 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415122349 565974351 /nfs/dbraw/zinc/97/43/51/565974351.db2.gz IDZYRCOZWCGKGV-UKRRQHHQSA-N 2 2 383.330 3.439 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415122343 565974930 /nfs/dbraw/zinc/97/49/30/565974930.db2.gz IDZYRCOZWCGKGV-DZGCQCFKSA-N 2 2 383.330 3.439 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415122343 565974934 /nfs/dbraw/zinc/97/49/34/565974934.db2.gz IDZYRCOZWCGKGV-DZGCQCFKSA-N 2 2 383.330 3.439 20 30 GGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccncc3Br)CC2)c1 ZINC000601129736 566391986 /nfs/dbraw/zinc/39/19/86/566391986.db2.gz ACZSVDREXPLMPL-UHFFFAOYSA-N 2 2 385.309 3.470 20 30 GGEDLP N#CCSCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510890327 566419477 /nfs/dbraw/zinc/41/94/77/566419477.db2.gz PWIOTGQVDBJJNN-UHFFFAOYSA-N 2 2 383.315 3.388 20 30 GGEDLP N#CCSCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510890327 566419483 /nfs/dbraw/zinc/41/94/83/566419483.db2.gz PWIOTGQVDBJJNN-UHFFFAOYSA-N 2 2 383.315 3.388 20 30 GGEDLP N#Cc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000558099012 566449165 /nfs/dbraw/zinc/44/91/65/566449165.db2.gz WITCEDHTEPUWJI-UHFFFAOYSA-N 2 2 392.341 3.398 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469879297 566823263 /nfs/dbraw/zinc/82/32/63/566823263.db2.gz FMQUTOGIFQPLNO-LZWOXQAQSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469879297 566823268 /nfs/dbraw/zinc/82/32/68/566823268.db2.gz FMQUTOGIFQPLNO-LZWOXQAQSA-N 2 2 381.314 3.192 20 30 GGEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000563948737 566931268 /nfs/dbraw/zinc/93/12/68/566931268.db2.gz SZHKUNKTGSJGKT-GOSISDBHSA-N 2 2 380.330 3.253 20 30 GGEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000563948737 566931275 /nfs/dbraw/zinc/93/12/75/566931275.db2.gz SZHKUNKTGSJGKT-GOSISDBHSA-N 2 2 380.330 3.253 20 30 GGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(Br)cn3)CC2)c1 ZINC000593693394 567435737 /nfs/dbraw/zinc/43/57/37/567435737.db2.gz XICWXRGATSBZDX-UHFFFAOYSA-N 2 2 385.309 3.470 20 30 GGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000666943389 567713820 /nfs/dbraw/zinc/71/38/20/567713820.db2.gz ACVYOJVLPYJXDF-KBPBESRZSA-N 2 2 387.293 3.202 20 30 GGEDLP C#CCOc1ccccc1C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000015231496 1399145909 /nfs/dbraw/zinc/14/59/09/1399145909.db2.gz PUKVROMVVIVJEW-UHFFFAOYSA-N 2 2 393.531 3.009 20 30 GGEDLP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1OC ZINC000092665465 1410184680 /nfs/dbraw/zinc/18/46/80/1410184680.db2.gz WNQNFBUDJJJAHH-WOJBJXKFSA-N 2 2 387.568 3.250 20 30 GGEDLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000093412981 1410243808 /nfs/dbraw/zinc/24/38/08/1410243808.db2.gz OCLGPOSIVLBNNS-UHFFFAOYSA-N 2 2 393.531 3.416 20 30 GGEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000093412981 1410243812 /nfs/dbraw/zinc/24/38/12/1410243812.db2.gz OCLGPOSIVLBNNS-UHFFFAOYSA-N 2 2 393.531 3.416 20 30 GGEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991087 1411880938 /nfs/dbraw/zinc/88/09/38/1411880938.db2.gz REJYUAQWSAWGDL-OALUTQOASA-N 2 2 387.568 3.295 20 30 GGEDLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597015 1412726201 /nfs/dbraw/zinc/72/62/01/1412726201.db2.gz PHUFCNAWAAWNAL-JTSKRJEESA-N 2 2 376.504 3.106 20 30 GGEDLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597015 1412726209 /nfs/dbraw/zinc/72/62/09/1412726209.db2.gz PHUFCNAWAAWNAL-JTSKRJEESA-N 2 2 376.504 3.106 20 30 GGEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C(N)=O)cc1 ZINC000115600210 1412727033 /nfs/dbraw/zinc/72/70/33/1412727033.db2.gz YUULBOWRZFGFJL-QFIPXVFZSA-N 2 2 376.504 3.250 20 30 GGEDLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000118868590 1413255241 /nfs/dbraw/zinc/25/52/41/1413255241.db2.gz NDIWKSNQLRWQLA-UHFFFAOYSA-N 2 2 388.581 3.491 20 30 GGEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000119707382 1413540242 /nfs/dbraw/zinc/54/02/42/1413540242.db2.gz MNWMEFXRNFOGGP-RTBURBONSA-N 2 2 381.524 3.053 20 30 GGEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000119707233 1413540286 /nfs/dbraw/zinc/54/02/86/1413540286.db2.gz MNWMEFXRNFOGGP-OALUTQOASA-N 2 2 381.524 3.053 20 30 GGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC3(CCC3)C2)c1=S ZINC000121918342 1414306455 /nfs/dbraw/zinc/30/64/55/1414306455.db2.gz ACAXCEYZMUNVOY-UHFFFAOYSA-N 2 2 375.586 3.462 20 30 GGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC3(CCC3)C2)c1=S ZINC000121918342 1414306463 /nfs/dbraw/zinc/30/64/63/1414306463.db2.gz ACAXCEYZMUNVOY-UHFFFAOYSA-N 2 2 375.586 3.462 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124582626 1414999145 /nfs/dbraw/zinc/99/91/45/1414999145.db2.gz KNXCLDPJJATGNN-PKTZIBPZSA-N 2 2 397.563 3.108 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124582626 1414999153 /nfs/dbraw/zinc/99/91/53/1414999153.db2.gz KNXCLDPJJATGNN-PKTZIBPZSA-N 2 2 397.563 3.108 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000177912308 1428889939 /nfs/dbraw/zinc/88/99/39/1428889939.db2.gz DURMFJTWCPYPKY-GOSISDBHSA-N 2 2 391.581 3.162 20 30 GGEDLP N#CC1(c2ccccc2)CC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000126304931 1415412777 /nfs/dbraw/zinc/41/27/77/1415412777.db2.gz PRVQIRKTOTZZID-UHFFFAOYSA-N 2 2 391.515 3.111 20 30 GGEDLP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129583447 1416232132 /nfs/dbraw/zinc/23/21/32/1416232132.db2.gz NKEUZZZPBLDSEL-APWZRJJASA-N 2 2 385.899 3.366 20 30 GGEDLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129583447 1416232138 /nfs/dbraw/zinc/23/21/38/1416232138.db2.gz NKEUZZZPBLDSEL-APWZRJJASA-N 2 2 385.899 3.366 20 30 GGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131306106 1416537662 /nfs/dbraw/zinc/53/76/62/1416537662.db2.gz AZNSNGAYGAWRSX-QGZVFWFLSA-N 2 2 399.926 3.275 20 30 GGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131306106 1416537664 /nfs/dbraw/zinc/53/76/64/1416537664.db2.gz AZNSNGAYGAWRSX-QGZVFWFLSA-N 2 2 399.926 3.275 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000139825640 1417475523 /nfs/dbraw/zinc/47/55/23/1417475523.db2.gz YQTDITZQAPDTPU-TUNNFDKTSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000139825640 1417475532 /nfs/dbraw/zinc/47/55/32/1417475532.db2.gz YQTDITZQAPDTPU-TUNNFDKTSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000139825640 1417475544 /nfs/dbraw/zinc/47/55/44/1417475544.db2.gz YQTDITZQAPDTPU-TUNNFDKTSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000139825640 1417475553 /nfs/dbraw/zinc/47/55/53/1417475553.db2.gz YQTDITZQAPDTPU-TUNNFDKTSA-N 2 2 382.552 3.355 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000159248309 1424459163 /nfs/dbraw/zinc/45/91/63/1424459163.db2.gz SVNOZBGSCDKHTP-UHFFFAOYSA-N 2 2 383.496 3.124 20 30 GGEDLP C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000159958344 1424557060 /nfs/dbraw/zinc/55/70/60/1424557060.db2.gz IYMMPGSJAIIETE-OAQYLSRUSA-N 2 2 378.520 3.417 20 30 GGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039640 1424565894 /nfs/dbraw/zinc/56/58/94/1424565894.db2.gz BEWPEAMDPYCULB-LJQANCHMSA-N 2 2 397.567 3.351 20 30 GGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039640 1424565899 /nfs/dbraw/zinc/56/58/99/1424565899.db2.gz BEWPEAMDPYCULB-LJQANCHMSA-N 2 2 397.567 3.351 20 30 GGEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c(F)c1 ZINC000160168592 1424582534 /nfs/dbraw/zinc/58/25/34/1424582534.db2.gz FEYAFEHNKLFQKY-LJQANCHMSA-N 2 2 379.483 3.320 20 30 GGEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000180125439 1429748440 /nfs/dbraw/zinc/74/84/40/1429748440.db2.gz DSBQGQHCKNHWGZ-UHFFFAOYSA-N 2 2 384.911 3.284 20 30 GGEDLP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000162021862 1424809604 /nfs/dbraw/zinc/80/96/04/1424809604.db2.gz DOSMALMFZLEMBD-FQEVSTJZSA-N 2 2 394.515 3.260 20 30 GGEDLP CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171057785 1425459283 /nfs/dbraw/zinc/45/92/83/1425459283.db2.gz AIQRWBYXBKNSQJ-UHFFFAOYSA-N 2 2 397.567 3.037 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000171561033 1425735646 /nfs/dbraw/zinc/73/56/46/1425735646.db2.gz PHHOBJHHCKSSAK-RMKNXTFCSA-N 2 2 382.552 3.068 20 30 GGEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181441632 1430300172 /nfs/dbraw/zinc/30/01/72/1430300172.db2.gz UTJFWTKSVSPCDX-HXUWFJFHSA-N 2 2 378.520 3.452 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000181468569 1430306157 /nfs/dbraw/zinc/30/61/57/1430306157.db2.gz GIKYLLJLGUEVEU-UHFFFAOYSA-N 2 2 375.520 3.308 20 30 GGEDLP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181506175 1430311907 /nfs/dbraw/zinc/31/19/07/1430311907.db2.gz DVJONDZHQZTQOL-UHFFFAOYSA-N 2 2 376.504 3.062 20 30 GGEDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181582827 1430323618 /nfs/dbraw/zinc/32/36/18/1430323618.db2.gz WPURDAYKLFXCQB-IBGZPJMESA-N 2 2 395.503 3.151 20 30 GGEDLP COc1ccc(OC)c(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181607264 1430327227 /nfs/dbraw/zinc/32/72/27/1430327227.db2.gz JULALLQWMSHGLA-UHFFFAOYSA-N 2 2 379.504 3.372 20 30 GGEDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181612562 1430327790 /nfs/dbraw/zinc/32/77/90/1430327790.db2.gz IFRKMRKJTCDELE-IBGZPJMESA-N 2 2 395.503 3.151 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000181644902 1430333971 /nfs/dbraw/zinc/33/39/71/1430333971.db2.gz NYZBHAOOAQXHAU-UHFFFAOYSA-N 2 2 380.458 3.139 20 30 GGEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181744424 1430351283 /nfs/dbraw/zinc/35/12/83/1430351283.db2.gz OSEYKKWZLRNWOQ-FQEVSTJZSA-N 2 2 384.524 3.122 20 30 GGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000181746861 1430352004 /nfs/dbraw/zinc/35/20/04/1430352004.db2.gz LUUYCPYVVKBSEW-MRXNPFEDSA-N 2 2 377.492 3.364 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000181758009 1430353628 /nfs/dbraw/zinc/35/36/28/1430353628.db2.gz WRNMFPDUERYVFE-JOCHJYFZSA-N 2 2 388.515 3.197 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(C(=O)C4CCCCC4)C3)CC2)cc1 ZINC000181899906 1430380103 /nfs/dbraw/zinc/38/01/03/1430380103.db2.gz GYUPPTFVGSGKBR-QHCPKHFHSA-N 2 2 394.563 3.293 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000181945416 1430387036 /nfs/dbraw/zinc/38/70/36/1430387036.db2.gz HHOGXYAMXMQNIC-UHFFFAOYSA-N 2 2 394.494 3.071 20 30 GGEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891041 1430809366 /nfs/dbraw/zinc/80/93/66/1430809366.db2.gz QSJGKAZRZJYIDT-KRWDZBQOSA-N 2 2 394.441 3.421 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000184743478 1430962389 /nfs/dbraw/zinc/96/23/89/1430962389.db2.gz HZYXYVIEEFKGTJ-HOTGVXAUSA-N 2 2 394.519 3.453 20 30 GGEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1sccc1C#N ZINC000184750198 1430965630 /nfs/dbraw/zinc/96/56/30/1430965630.db2.gz GFCCISTXLAOYBA-HOTGVXAUSA-N 2 2 382.533 3.304 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC(O)(c4cccnc4)CC3)CC2)cc1 ZINC000186342483 1431387502 /nfs/dbraw/zinc/38/75/02/1431387502.db2.gz MMKNREFFIUZDRD-UHFFFAOYSA-N 2 2 390.531 3.338 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000188518686 1431891259 /nfs/dbraw/zinc/89/12/59/1431891259.db2.gz OKPMESHYNBIBGM-UHFFFAOYSA-N 2 2 394.485 3.387 20 30 GGEDLP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000190613691 1432420582 /nfs/dbraw/zinc/42/05/82/1432420582.db2.gz UMJBVIJIUKDVSZ-VGOFRKELSA-N 2 2 385.471 3.196 20 30 GGEDLP C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000190613709 1432420758 /nfs/dbraw/zinc/42/07/58/1432420758.db2.gz UMJBVIJIUKDVSZ-JTSKRJEESA-N 2 2 385.471 3.196 20 30 GGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000237197503 1433392217 /nfs/dbraw/zinc/39/22/17/1433392217.db2.gz VBNRSDRFXFUBCK-UHFFFAOYSA-N 2 2 395.341 3.052 20 30 GGEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000238140857 1433444353 /nfs/dbraw/zinc/44/43/53/1433444353.db2.gz CZQIENWFTHWGFN-HXUWFJFHSA-N 2 2 386.923 3.414 20 30 GGEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000238140857 1433444354 /nfs/dbraw/zinc/44/43/54/1433444354.db2.gz CZQIENWFTHWGFN-HXUWFJFHSA-N 2 2 386.923 3.414 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245437564 1433467576 /nfs/dbraw/zinc/46/75/76/1433467576.db2.gz DWDXILPHXSGMJH-TZIWHRDSSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245437564 1433467577 /nfs/dbraw/zinc/46/75/77/1433467577.db2.gz DWDXILPHXSGMJH-TZIWHRDSSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245437564 1433467578 /nfs/dbraw/zinc/46/75/78/1433467578.db2.gz DWDXILPHXSGMJH-TZIWHRDSSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245437564 1433467579 /nfs/dbraw/zinc/46/75/79/1433467579.db2.gz DWDXILPHXSGMJH-TZIWHRDSSA-N 2 2 382.552 3.171 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441812 1433468308 /nfs/dbraw/zinc/46/83/08/1433468308.db2.gz HPIQKXSEOCMJQF-MOPGFXCFSA-N 2 2 375.582 3.459 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441812 1433468312 /nfs/dbraw/zinc/46/83/12/1433468312.db2.gz HPIQKXSEOCMJQF-MOPGFXCFSA-N 2 2 375.582 3.459 20 30 GGEDLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445520 1433469120 /nfs/dbraw/zinc/46/91/20/1433469120.db2.gz KKVUAEHRYWALKN-GMAHTHKFSA-N 2 2 388.515 3.117 20 30 GGEDLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445520 1433469123 /nfs/dbraw/zinc/46/91/23/1433469123.db2.gz KKVUAEHRYWALKN-GMAHTHKFSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445520 1433469128 /nfs/dbraw/zinc/46/91/28/1433469128.db2.gz KKVUAEHRYWALKN-GMAHTHKFSA-N 2 2 388.515 3.117 20 30 GGEDLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245445520 1433469133 /nfs/dbraw/zinc/46/91/33/1433469133.db2.gz KKVUAEHRYWALKN-GMAHTHKFSA-N 2 2 388.515 3.117 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245603539 1433489749 /nfs/dbraw/zinc/48/97/49/1433489749.db2.gz MXPKYARSJJZKDT-HLIPFELVSA-N 2 2 383.471 3.240 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245603539 1433489750 /nfs/dbraw/zinc/48/97/50/1433489750.db2.gz MXPKYARSJJZKDT-HLIPFELVSA-N 2 2 383.471 3.240 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245689716 1433499941 /nfs/dbraw/zinc/49/99/41/1433499941.db2.gz QCTAKSBTELBYMQ-WSTZPKSXSA-N 2 2 395.507 3.110 20 30 GGEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245689716 1433499947 /nfs/dbraw/zinc/49/99/47/1433499947.db2.gz QCTAKSBTELBYMQ-WSTZPKSXSA-N 2 2 395.507 3.110 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245696009 1433501588 /nfs/dbraw/zinc/50/15/88/1433501588.db2.gz KNXCLDPJJATGNN-DHIUTWEWSA-N 2 2 397.563 3.108 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245696009 1433501596 /nfs/dbraw/zinc/50/15/96/1433501596.db2.gz KNXCLDPJJATGNN-DHIUTWEWSA-N 2 2 397.563 3.108 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245740496 1433509357 /nfs/dbraw/zinc/50/93/57/1433509357.db2.gz XEKKVJHVFPXJIV-NQIIRXRSSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245740496 1433509358 /nfs/dbraw/zinc/50/93/58/1433509358.db2.gz XEKKVJHVFPXJIV-NQIIRXRSSA-N 2 2 379.508 3.330 20 30 GGEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245986472 1433553691 /nfs/dbraw/zinc/55/36/91/1433553691.db2.gz WGEDSWOQCHETSK-GJZGRUSLSA-N 2 2 397.548 3.124 20 30 GGEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245986472 1433553696 /nfs/dbraw/zinc/55/36/96/1433553696.db2.gz WGEDSWOQCHETSK-GJZGRUSLSA-N 2 2 397.548 3.124 20 30 GGEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008367 1433556987 /nfs/dbraw/zinc/55/69/87/1433556987.db2.gz SQWHQUWGYXSMKT-SIKLNZKXSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008367 1433556988 /nfs/dbraw/zinc/55/69/88/1433556988.db2.gz SQWHQUWGYXSMKT-SIKLNZKXSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008367 1433556989 /nfs/dbraw/zinc/55/69/89/1433556989.db2.gz SQWHQUWGYXSMKT-SIKLNZKXSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008367 1433556990 /nfs/dbraw/zinc/55/69/90/1433556990.db2.gz SQWHQUWGYXSMKT-SIKLNZKXSA-N 2 2 375.520 3.407 20 30 GGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446385 1433724119 /nfs/dbraw/zinc/72/41/19/1433724119.db2.gz YFHWUKGEWFCNMJ-CABCVRRESA-N 2 2 385.899 3.227 20 30 GGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446385 1433724123 /nfs/dbraw/zinc/72/41/23/1433724123.db2.gz YFHWUKGEWFCNMJ-CABCVRRESA-N 2 2 385.899 3.227 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000250118808 1433854649 /nfs/dbraw/zinc/85/46/49/1433854649.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000250118808 1433854650 /nfs/dbraw/zinc/85/46/50/1433854650.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000250118808 1433854651 /nfs/dbraw/zinc/85/46/51/1433854651.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@H](C#N)Oc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000250118808 1433854652 /nfs/dbraw/zinc/85/46/52/1433854652.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000250118805 1433854664 /nfs/dbraw/zinc/85/46/64/1433854664.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000250118805 1433854665 /nfs/dbraw/zinc/85/46/65/1433854665.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000250118805 1433854667 /nfs/dbraw/zinc/85/46/67/1433854667.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 2 2 379.504 3.046 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000250118805 1433854668 /nfs/dbraw/zinc/85/46/68/1433854668.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 2 2 379.504 3.046 20 30 GGEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCS[C@H](C(C)C)C1 ZINC000261687729 1433899220 /nfs/dbraw/zinc/89/92/20/1433899220.db2.gz DUYLRXXPDYYIDD-SFHVURJKSA-N 2 2 386.569 3.115 20 30 GGEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCS[C@@H](C(C)C)C1 ZINC000261687727 1433899267 /nfs/dbraw/zinc/89/92/67/1433899267.db2.gz DUYLRXXPDYYIDD-GOSISDBHSA-N 2 2 386.569 3.115 20 30 GGEDLP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261967121 1433917610 /nfs/dbraw/zinc/91/76/10/1433917610.db2.gz LSPXLHAWLYVFSL-RYUDHWBXSA-N 2 2 386.447 3.017 20 30 GGEDLP CC[NH+]=C(NCc1cccc2cccnc21)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261977269 1433918537 /nfs/dbraw/zinc/91/85/37/1433918537.db2.gz NXNRGVCMSBKGMA-PXNSSMCTSA-N 2 2 376.508 3.480 20 30 GGEDLP C[NH+]=C(NCC(C)(C)c1ccc2c(c1)OCO2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261993034 1433919998 /nfs/dbraw/zinc/91/99/98/1433919998.db2.gz RUVVTLHPHXPNAU-WMZOPIPTSA-N 2 2 397.523 3.048 20 30 GGEDLP C[NH+]=C(NCC(C)(C)c1ccc2c(c1)OCO2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261993019 1433920242 /nfs/dbraw/zinc/92/02/42/1433920242.db2.gz RUVVTLHPHXPNAU-FUHWJXTLSA-N 2 2 397.523 3.048 20 30 GGEDLP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261999702 1433920815 /nfs/dbraw/zinc/92/08/15/1433920815.db2.gz UBCFVBUBHNIFPN-YWZLYKJASA-N 2 2 382.487 3.205 20 30 GGEDLP CC[NH+]=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262015867 1433922309 /nfs/dbraw/zinc/92/23/09/1433922309.db2.gz XTHBSCFXKJCGHO-LAUBAEHRSA-N 2 2 378.524 3.456 20 30 GGEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262243523 1433932220 /nfs/dbraw/zinc/93/22/20/1433932220.db2.gz BZZHYEQKMNVRGY-INIZCTEOSA-N 2 2 376.476 3.309 20 30 GGEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262243523 1433932229 /nfs/dbraw/zinc/93/22/29/1433932229.db2.gz BZZHYEQKMNVRGY-INIZCTEOSA-N 2 2 376.476 3.309 20 30 GGEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N(C)Cc1c(F)cccc1Cl ZINC000262511948 1433942041 /nfs/dbraw/zinc/94/20/41/1433942041.db2.gz BQRBSVIGPQMBAO-UHFFFAOYSA-N 2 2 377.895 3.262 20 30 GGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263245936 1433998010 /nfs/dbraw/zinc/99/80/10/1433998010.db2.gz HQGFSZSSDXVABC-UYAOXDASSA-N 2 2 396.560 3.032 20 30 GGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263245936 1433998016 /nfs/dbraw/zinc/99/80/16/1433998016.db2.gz HQGFSZSSDXVABC-UYAOXDASSA-N 2 2 396.560 3.032 20 30 GGEDLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(C#N)c1 ZINC000263783924 1434033451 /nfs/dbraw/zinc/03/34/51/1434033451.db2.gz ZFIQUCSEAMFHBY-UHFFFAOYSA-N 2 2 394.544 3.178 20 30 GGEDLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(C#N)c1 ZINC000263783924 1434033454 /nfs/dbraw/zinc/03/34/54/1434033454.db2.gz ZFIQUCSEAMFHBY-UHFFFAOYSA-N 2 2 394.544 3.178 20 30 GGEDLP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264125080 1434073922 /nfs/dbraw/zinc/07/39/22/1434073922.db2.gz WBFBLIYUSACTRZ-QGZVFWFLSA-N 2 2 377.492 3.038 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264334181 1434098349 /nfs/dbraw/zinc/09/83/49/1434098349.db2.gz AANNXLQRNIVCJS-SFHVURJKSA-N 2 2 386.540 3.242 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000264360680 1434102195 /nfs/dbraw/zinc/10/21/95/1434102195.db2.gz OOGVFPSRKJUCHQ-ROUUACIJSA-N 2 2 386.540 3.068 20 30 GGEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCCC2 ZINC000266970351 1434394201 /nfs/dbraw/zinc/39/42/01/1434394201.db2.gz ZWBBKNHHWVYGOX-CQSZACIVSA-N 2 2 383.521 3.430 20 30 GGEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCCC2 ZINC000266970351 1434394202 /nfs/dbraw/zinc/39/42/02/1434394202.db2.gz ZWBBKNHHWVYGOX-CQSZACIVSA-N 2 2 383.521 3.430 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000267067356 1434404640 /nfs/dbraw/zinc/40/46/40/1434404640.db2.gz RPWTUHPVJAEEMA-GOSISDBHSA-N 2 2 393.597 3.130 20 30 GGEDLP C[NH+](C)C1CC[NH+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000267229544 1434415391 /nfs/dbraw/zinc/41/53/91/1434415391.db2.gz VISVSHWFKJHDKE-UHFFFAOYSA-N 2 2 389.450 3.146 20 30 GGEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)C1 ZINC000267335760 1434423747 /nfs/dbraw/zinc/42/37/47/1434423747.db2.gz BRKPUCIZDHEJJH-MRXNPFEDSA-N 2 2 392.573 3.074 20 30 GGEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)C1 ZINC000267335760 1434423748 /nfs/dbraw/zinc/42/37/48/1434423748.db2.gz BRKPUCIZDHEJJH-MRXNPFEDSA-N 2 2 392.573 3.074 20 30 GGEDLP CN(CCC#N)c1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000269520151 1434656078 /nfs/dbraw/zinc/65/60/78/1434656078.db2.gz RUXDCYCKUPJUKW-OAQYLSRUSA-N 2 2 378.524 3.184 20 30 GGEDLP N#Cc1ccc(OC2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)nc1 ZINC000271429921 1434824067 /nfs/dbraw/zinc/82/40/67/1434824067.db2.gz DAFRPTKIYSJVGO-UHFFFAOYSA-N 2 2 377.492 3.297 20 30 GGEDLP COc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000271862220 1434855640 /nfs/dbraw/zinc/85/56/40/1434855640.db2.gz KSGXBLNDRVWCON-JOCHJYFZSA-N 2 2 390.531 3.400 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000271870477 1434855956 /nfs/dbraw/zinc/85/59/56/1434855956.db2.gz MOQJMYPBZPLACP-OAQYLSRUSA-N 2 2 381.495 3.103 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917372 1434859121 /nfs/dbraw/zinc/85/91/21/1434859121.db2.gz ZGQWVRSROSMQKB-QTGUNEKASA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917372 1434859123 /nfs/dbraw/zinc/85/91/23/1434859123.db2.gz ZGQWVRSROSMQKB-QTGUNEKASA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796721 1435093477 /nfs/dbraw/zinc/09/34/77/1435093477.db2.gz DHEJYKRTBLRVFC-WFXMLNOXSA-N 2 2 376.504 3.385 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796721 1435093480 /nfs/dbraw/zinc/09/34/80/1435093480.db2.gz DHEJYKRTBLRVFC-WFXMLNOXSA-N 2 2 376.504 3.385 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881118 1435100660 /nfs/dbraw/zinc/10/06/60/1435100660.db2.gz ZRVCNWLYYCXPNT-YWZLYKJASA-N 2 2 380.492 3.207 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881118 1435100661 /nfs/dbraw/zinc/10/06/61/1435100661.db2.gz ZRVCNWLYYCXPNT-YWZLYKJASA-N 2 2 380.492 3.207 20 30 GGEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000278937905 1435442471 /nfs/dbraw/zinc/44/24/71/1435442471.db2.gz UDZREGPZYDXIMW-SFHVURJKSA-N 2 2 395.532 3.137 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000284109128 1435991929 /nfs/dbraw/zinc/99/19/29/1435991929.db2.gz GPQSBWSADAVFGW-NHCUHLMSSA-N 2 2 386.515 3.107 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000284109128 1435991936 /nfs/dbraw/zinc/99/19/36/1435991936.db2.gz GPQSBWSADAVFGW-NHCUHLMSSA-N 2 2 386.515 3.107 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000284109124 1435992347 /nfs/dbraw/zinc/99/23/47/1435992347.db2.gz GPQSBWSADAVFGW-LEWJYISDSA-N 2 2 386.515 3.107 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000284109124 1435992362 /nfs/dbraw/zinc/99/23/62/1435992362.db2.gz GPQSBWSADAVFGW-LEWJYISDSA-N 2 2 386.515 3.107 20 30 GGEDLP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835575 720584984 /nfs/dbraw/zinc/58/49/84/720584984.db2.gz BKNGBCPLCOKHQI-IMFGXOCKSA-N 2 2 389.507 3.009 20 30 GGEDLP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835575 720584993 /nfs/dbraw/zinc/58/49/93/720584993.db2.gz BKNGBCPLCOKHQI-IMFGXOCKSA-N 2 2 389.507 3.009 20 30 GGEDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]21 ZINC001164835577 720586284 /nfs/dbraw/zinc/58/62/84/720586284.db2.gz BKNGBCPLCOKHQI-QRFRQXIXSA-N 2 2 389.507 3.009 20 30 GGEDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4[nH]cc(C#N)c43)CC[C@@H]21 ZINC001164835577 720586292 /nfs/dbraw/zinc/58/62/92/720586292.db2.gz BKNGBCPLCOKHQI-QRFRQXIXSA-N 2 2 389.507 3.009 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973863 722111089 /nfs/dbraw/zinc/11/10/89/722111089.db2.gz HNLFECKAVAJTMM-JTHBVZDNSA-N 2 2 399.498 3.229 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973863 722111090 /nfs/dbraw/zinc/11/10/90/722111090.db2.gz HNLFECKAVAJTMM-JTHBVZDNSA-N 2 2 399.498 3.229 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000177904914 565880290 /nfs/dbraw/zinc/88/02/90/565880290.db2.gz OFINMNSONOASSM-CQSZACIVSA-N 2 2 380.330 3.406 20 30 GGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708868 566003260 /nfs/dbraw/zinc/00/32/60/566003260.db2.gz MXJWNDOYVKGZKV-RTBURBONSA-N 2 2 391.357 3.116 20 30 GGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708868 566003267 /nfs/dbraw/zinc/00/32/67/566003267.db2.gz MXJWNDOYVKGZKV-RTBURBONSA-N 2 2 391.357 3.116 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1Br ZINC000365193260 566089148 /nfs/dbraw/zinc/08/91/48/566089148.db2.gz ZTENBLVKYZYIGJ-KBAYOESNSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1Br ZINC000365193260 566089155 /nfs/dbraw/zinc/08/91/55/566089155.db2.gz ZTENBLVKYZYIGJ-KBAYOESNSA-N 2 2 378.314 3.004 20 30 GGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494426892 567000110 /nfs/dbraw/zinc/00/01/10/567000110.db2.gz QLAAOQUSAOKBPF-AWEZNQCLSA-N 2 2 392.297 3.324 20 30 GGEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555631 567485534 /nfs/dbraw/zinc/48/55/34/567485534.db2.gz AZUNAHGCBMGIOG-ZDUSSCGKSA-N 2 2 381.293 3.040 20 30 GGEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555631 567485539 /nfs/dbraw/zinc/48/55/39/567485539.db2.gz AZUNAHGCBMGIOG-ZDUSSCGKSA-N 2 2 381.293 3.040 20 30 GGEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804715 /nfs/dbraw/zinc/80/47/15/1405804715.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804716 /nfs/dbraw/zinc/80/47/16/1405804716.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804717 /nfs/dbraw/zinc/80/47/17/1405804717.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804721 /nfs/dbraw/zinc/80/47/21/1405804721.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 2 2 390.531 3.033 20 30 GGEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000052003796 1405896186 /nfs/dbraw/zinc/89/61/86/1405896186.db2.gz ZKFGPWPKZUPWDH-OAQYLSRUSA-N 2 2 388.552 3.114 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000176500617 1428341405 /nfs/dbraw/zinc/34/14/05/1428341405.db2.gz LLYKCNSHTJBZHP-UHFFFAOYSA-N 2 2 399.583 3.061 20 30 GGEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101691605 1410491687 /nfs/dbraw/zinc/49/16/87/1410491687.db2.gz MCVJTOKFMGDBOH-UHFFFAOYSA-N 2 2 390.531 3.323 20 30 GGEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101691605 1410491688 /nfs/dbraw/zinc/49/16/88/1410491688.db2.gz MCVJTOKFMGDBOH-UHFFFAOYSA-N 2 2 390.531 3.323 20 30 GGEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000104159003 1410885894 /nfs/dbraw/zinc/88/58/94/1410885894.db2.gz DEFMMNIYLGGKLZ-HZPDHXFCSA-N 2 2 392.544 3.098 20 30 GGEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176968554 1428534050 /nfs/dbraw/zinc/53/40/50/1428534050.db2.gz MASUBDPRGNFWCK-UHFFFAOYSA-N 2 2 381.402 3.277 20 30 GGEDLP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000109788197 1411810292 /nfs/dbraw/zinc/81/02/92/1411810292.db2.gz DHTCSFWCAQMXGM-SFHVURJKSA-N 2 2 377.492 3.030 20 30 GGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000109788197 1411810293 /nfs/dbraw/zinc/81/02/93/1411810293.db2.gz DHTCSFWCAQMXGM-SFHVURJKSA-N 2 2 377.492 3.030 20 30 GGEDLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000115596574 1412723700 /nfs/dbraw/zinc/72/37/00/1412723700.db2.gz FZUJZJHHDHHULV-QFIPXVFZSA-N 2 2 376.504 3.106 20 30 GGEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C(N)=O)cc1 ZINC000115600212 1412727377 /nfs/dbraw/zinc/72/73/77/1412727377.db2.gz YUULBOWRZFGFJL-JOCHJYFZSA-N 2 2 376.504 3.250 20 30 GGEDLP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000116601334 1412885616 /nfs/dbraw/zinc/88/56/16/1412885616.db2.gz XHZAYGLTMMDIEC-UHFFFAOYSA-N 2 2 386.565 3.387 20 30 GGEDLP CN(CCC#N)c1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000119687343 1413531555 /nfs/dbraw/zinc/53/15/55/1413531555.db2.gz HJIKBXITFAEFMA-UHFFFAOYSA-N 2 2 391.563 3.338 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000121247972 1414058190 /nfs/dbraw/zinc/05/81/90/1414058190.db2.gz RQVBCKJEXBUFJG-KRWDZBQOSA-N 2 2 376.570 3.177 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124582856 1414999049 /nfs/dbraw/zinc/99/90/49/1414999049.db2.gz KNXCLDPJJATGNN-GOTSBHOMSA-N 2 2 397.563 3.108 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124582856 1414999051 /nfs/dbraw/zinc/99/90/51/1414999051.db2.gz KNXCLDPJJATGNN-GOTSBHOMSA-N 2 2 397.563 3.108 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000178383821 1429066065 /nfs/dbraw/zinc/06/60/65/1429066065.db2.gz MBTNCBZQUIJEAW-NHCUHLMSSA-N 2 2 379.508 3.061 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000131287000 1416535413 /nfs/dbraw/zinc/53/54/13/1416535413.db2.gz IUPKHKIMGWXUHE-HXUWFJFHSA-N 2 2 393.535 3.238 20 30 GGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000131287000 1416535415 /nfs/dbraw/zinc/53/54/15/1416535415.db2.gz IUPKHKIMGWXUHE-HXUWFJFHSA-N 2 2 393.535 3.238 20 30 GGEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131398563 1416551460 /nfs/dbraw/zinc/55/14/60/1416551460.db2.gz WGEDSWOQCHETSK-HUUCEWRRSA-N 2 2 397.548 3.124 20 30 GGEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131398563 1416551464 /nfs/dbraw/zinc/55/14/64/1416551464.db2.gz WGEDSWOQCHETSK-HUUCEWRRSA-N 2 2 397.548 3.124 20 30 GGEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1csc(C2CC2)n1 ZINC000153264933 1422427242 /nfs/dbraw/zinc/42/72/42/1422427242.db2.gz OUMJLBYSZYZPPW-UHFFFAOYSA-N 2 2 399.564 3.017 20 30 GGEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCSC2(CCCCC2)C1 ZINC000153563696 1422620330 /nfs/dbraw/zinc/62/03/30/1422620330.db2.gz HCDCHRMEZKVQAU-UHFFFAOYSA-N 2 2 375.586 3.089 20 30 GGEDLP C[N@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000156654275 1423841722 /nfs/dbraw/zinc/84/17/22/1423841722.db2.gz DUBUFJIXANQMIK-UHFFFAOYSA-N 2 2 378.520 3.361 20 30 GGEDLP C[N@@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000156654275 1423841723 /nfs/dbraw/zinc/84/17/23/1423841723.db2.gz DUBUFJIXANQMIK-UHFFFAOYSA-N 2 2 378.520 3.361 20 30 GGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039515 1424565940 /nfs/dbraw/zinc/56/59/40/1424565940.db2.gz BEWPEAMDPYCULB-IBGZPJMESA-N 2 2 397.567 3.351 20 30 GGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039515 1424565942 /nfs/dbraw/zinc/56/59/42/1424565942.db2.gz BEWPEAMDPYCULB-IBGZPJMESA-N 2 2 397.567 3.351 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598474 1426765728 /nfs/dbraw/zinc/76/57/28/1426765728.db2.gz HPIQKXSEOCMJQF-RTBURBONSA-N 2 2 375.582 3.459 20 30 GGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598474 1426765738 /nfs/dbraw/zinc/76/57/38/1426765738.db2.gz HPIQKXSEOCMJQF-RTBURBONSA-N 2 2 375.582 3.459 20 30 GGEDLP CC[N@@H+](CC(=O)Nc1sccc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971934 1426916774 /nfs/dbraw/zinc/91/67/74/1426916774.db2.gz FPRRETIFTMOYGJ-UHFFFAOYSA-N 2 2 383.521 3.192 20 30 GGEDLP CC[N@H+](CC(=O)Nc1sccc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971934 1426916779 /nfs/dbraw/zinc/91/67/79/1426916779.db2.gz FPRRETIFTMOYGJ-UHFFFAOYSA-N 2 2 383.521 3.192 20 30 GGEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284055 1429824209 /nfs/dbraw/zinc/82/42/09/1429824209.db2.gz SQWHQUWGYXSMKT-DENIHFKCSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284055 1429824210 /nfs/dbraw/zinc/82/42/10/1429824210.db2.gz SQWHQUWGYXSMKT-DENIHFKCSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284055 1429824217 /nfs/dbraw/zinc/82/42/17/1429824217.db2.gz SQWHQUWGYXSMKT-DENIHFKCSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284055 1429824218 /nfs/dbraw/zinc/82/42/18/1429824218.db2.gz SQWHQUWGYXSMKT-DENIHFKCSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284075 1429824406 /nfs/dbraw/zinc/82/44/06/1429824406.db2.gz SQWHQUWGYXSMKT-KNQAVFIVSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284075 1429824408 /nfs/dbraw/zinc/82/44/08/1429824408.db2.gz SQWHQUWGYXSMKT-KNQAVFIVSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284075 1429824411 /nfs/dbraw/zinc/82/44/11/1429824411.db2.gz SQWHQUWGYXSMKT-KNQAVFIVSA-N 2 2 375.520 3.407 20 30 GGEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284075 1429824412 /nfs/dbraw/zinc/82/44/12/1429824412.db2.gz SQWHQUWGYXSMKT-KNQAVFIVSA-N 2 2 375.520 3.407 20 30 GGEDLP COc1cccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)c1 ZINC000181388195 1430286812 /nfs/dbraw/zinc/28/68/12/1430286812.db2.gz JVAMPMUAPIMIKZ-XMMPIXPASA-N 2 2 392.547 3.424 20 30 GGEDLP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000181425306 1430296022 /nfs/dbraw/zinc/29/60/22/1430296022.db2.gz DLYLBTVRYXVPKM-RTBURBONSA-N 2 2 384.568 3.000 20 30 GGEDLP CCC(CC)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181460096 1430304418 /nfs/dbraw/zinc/30/44/18/1430304418.db2.gz YFZQIAVGCPIZDI-DEOSSOPVSA-N 2 2 398.595 3.249 20 30 GGEDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181582840 1430323541 /nfs/dbraw/zinc/32/35/41/1430323541.db2.gz WPURDAYKLFXCQB-LJQANCHMSA-N 2 2 395.503 3.151 20 30 GGEDLP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181611805 1430327726 /nfs/dbraw/zinc/32/77/26/1430327726.db2.gz SUJLRQNXGILSMI-UHFFFAOYSA-N 2 2 390.531 3.161 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCC4CC4)nc3)CC2)cc1 ZINC000181639063 1430333066 /nfs/dbraw/zinc/33/30/66/1430333066.db2.gz JDTGCRGSIYVMKK-UHFFFAOYSA-N 2 2 376.504 3.496 20 30 GGEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181744445 1430351351 /nfs/dbraw/zinc/35/13/51/1430351351.db2.gz OSEYKKWZLRNWOQ-HXUWFJFHSA-N 2 2 384.524 3.122 20 30 GGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000181746839 1430351978 /nfs/dbraw/zinc/35/19/78/1430351978.db2.gz LUUYCPYVVKBSEW-INIZCTEOSA-N 2 2 377.492 3.364 20 30 GGEDLP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181911654 1430382134 /nfs/dbraw/zinc/38/21/34/1430382134.db2.gz YNXHHFBJRSOTAI-HSZRJFAPSA-N 2 2 379.504 3.245 20 30 GGEDLP C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000181929805 1430385008 /nfs/dbraw/zinc/38/50/08/1430385008.db2.gz VTCPRXRDKBXLLG-KRWDZBQOSA-N 2 2 386.540 3.416 20 30 GGEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181966123 1430389718 /nfs/dbraw/zinc/38/97/18/1430389718.db2.gz FIJYHBKZXJAGNH-QFIPXVFZSA-N 2 2 385.458 3.298 20 30 GGEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000182916340 1430570471 /nfs/dbraw/zinc/57/04/71/1430570471.db2.gz CPDGOJMZNKAOQD-QIJUGHKUSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000182916340 1430570473 /nfs/dbraw/zinc/57/04/73/1430570473.db2.gz CPDGOJMZNKAOQD-QIJUGHKUSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916340 1430570474 /nfs/dbraw/zinc/57/04/74/1430570474.db2.gz CPDGOJMZNKAOQD-QIJUGHKUSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916340 1430570475 /nfs/dbraw/zinc/57/04/75/1430570475.db2.gz CPDGOJMZNKAOQD-QIJUGHKUSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000182916359 1430570492 /nfs/dbraw/zinc/57/04/92/1430570492.db2.gz CPDGOJMZNKAOQD-STZQEDGTSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000182916359 1430570495 /nfs/dbraw/zinc/57/04/95/1430570495.db2.gz CPDGOJMZNKAOQD-STZQEDGTSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916359 1430570499 /nfs/dbraw/zinc/57/04/99/1430570499.db2.gz CPDGOJMZNKAOQD-STZQEDGTSA-N 2 2 378.520 3.002 20 30 GGEDLP N#Cc1ccc(N2CCC[C@@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916359 1430570502 /nfs/dbraw/zinc/57/05/02/1430570502.db2.gz CPDGOJMZNKAOQD-STZQEDGTSA-N 2 2 378.520 3.002 20 30 GGEDLP C=CCc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359080 /nfs/dbraw/zinc/35/90/80/1432359080.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 2 2 396.531 3.198 20 30 GGEDLP C=CCc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359086 /nfs/dbraw/zinc/35/90/86/1432359086.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 2 2 396.531 3.198 20 30 GGEDLP C=CCc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359089 /nfs/dbraw/zinc/35/90/89/1432359089.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 2 2 396.531 3.198 20 30 GGEDLP C=CCc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359094 /nfs/dbraw/zinc/35/90/94/1432359094.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 2 2 396.531 3.198 20 30 GGEDLP C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318169 1432360161 /nfs/dbraw/zinc/36/01/61/1432360161.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 2 2 393.531 3.438 20 30 GGEDLP C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318169 1432360167 /nfs/dbraw/zinc/36/01/67/1432360167.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 2 2 393.531 3.438 20 30 GGEDLP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190318169 1432360171 /nfs/dbraw/zinc/36/01/71/1432360171.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 2 2 393.531 3.438 20 30 GGEDLP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190318169 1432360176 /nfs/dbraw/zinc/36/01/76/1432360176.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 2 2 393.531 3.438 20 30 GGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512854 1432676498 /nfs/dbraw/zinc/67/64/98/1432676498.db2.gz NTBGNCCLXUOILQ-HXUWFJFHSA-N 2 2 379.508 3.225 20 30 GGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512854 1432676502 /nfs/dbraw/zinc/67/65/02/1432676502.db2.gz NTBGNCCLXUOILQ-HXUWFJFHSA-N 2 2 379.508 3.225 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245586071 1433488070 /nfs/dbraw/zinc/48/80/70/1433488070.db2.gz MHWZNLFMUCIWSS-FGZHOGPDSA-N 2 2 382.552 3.469 20 30 GGEDLP C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245586071 1433488071 /nfs/dbraw/zinc/48/80/71/1433488071.db2.gz MHWZNLFMUCIWSS-FGZHOGPDSA-N 2 2 382.552 3.469 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245696014 1433501782 /nfs/dbraw/zinc/50/17/82/1433501782.db2.gz KNXCLDPJJATGNN-XZOQPEGZSA-N 2 2 397.563 3.108 20 30 GGEDLP C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245696014 1433501784 /nfs/dbraw/zinc/50/17/84/1433501784.db2.gz KNXCLDPJJATGNN-XZOQPEGZSA-N 2 2 397.563 3.108 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245721713 1433505943 /nfs/dbraw/zinc/50/59/43/1433505943.db2.gz PTVUYSKTPHNFOS-FGZHOGPDSA-N 2 2 382.552 3.162 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245721713 1433505944 /nfs/dbraw/zinc/50/59/44/1433505944.db2.gz PTVUYSKTPHNFOS-FGZHOGPDSA-N 2 2 382.552 3.162 20 30 GGEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737962 1433508940 /nfs/dbraw/zinc/50/89/40/1433508940.db2.gz UEZRLEAXMMPAOW-GOHHFNLLSA-N 2 2 394.563 3.367 20 30 GGEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737962 1433508944 /nfs/dbraw/zinc/50/89/44/1433508944.db2.gz UEZRLEAXMMPAOW-GOHHFNLLSA-N 2 2 394.563 3.367 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245757267 1433512391 /nfs/dbraw/zinc/51/23/91/1433512391.db2.gz YUXWTJFUDKHWCZ-DHIUTWEWSA-N 2 2 396.579 3.286 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245757267 1433512395 /nfs/dbraw/zinc/51/23/95/1433512395.db2.gz YUXWTJFUDKHWCZ-DHIUTWEWSA-N 2 2 396.579 3.286 20 30 GGEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245986469 1433553419 /nfs/dbraw/zinc/55/34/19/1433553419.db2.gz WGEDSWOQCHETSK-CABCVRRESA-N 2 2 397.548 3.124 20 30 GGEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245986469 1433553425 /nfs/dbraw/zinc/55/34/25/1433553425.db2.gz WGEDSWOQCHETSK-CABCVRRESA-N 2 2 397.548 3.124 20 30 GGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000248393099 1433794708 /nfs/dbraw/zinc/79/47/08/1433794708.db2.gz GFCCISTXLAOYBA-IGOJGBNBSA-N 2 2 382.533 3.304 20 30 GGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000248393099 1433794709 /nfs/dbraw/zinc/79/47/09/1433794709.db2.gz GFCCISTXLAOYBA-IGOJGBNBSA-N 2 2 382.533 3.304 20 30 GGEDLP C[NH+]=C(NCc1csc(Br)c1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261960397 1433916265 /nfs/dbraw/zinc/91/62/65/1433916265.db2.gz JZPXFFXCPYNCOJ-JSGCOSHPSA-N 2 2 396.358 3.366 20 30 GGEDLP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCc2sccc2C1 ZINC000261963646 1433916902 /nfs/dbraw/zinc/91/69/02/1433916902.db2.gz AFWACMVYQUBRTG-CQSZACIVSA-N 2 2 386.521 3.083 20 30 GGEDLP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@H+]1CCc2sccc2C1 ZINC000261963646 1433916903 /nfs/dbraw/zinc/91/69/03/1433916903.db2.gz AFWACMVYQUBRTG-CQSZACIVSA-N 2 2 386.521 3.083 20 30 GGEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970908 1433918131 /nfs/dbraw/zinc/91/81/31/1433918131.db2.gz MTEDODRRTHOLJC-OMZCGLGVSA-N 2 2 385.556 3.079 20 30 GGEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970906 1433918249 /nfs/dbraw/zinc/91/82/49/1433918249.db2.gz MTEDODRRTHOLJC-FSGKZVOOSA-N 2 2 385.556 3.079 20 30 GGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262243525 1433932068 /nfs/dbraw/zinc/93/20/68/1433932068.db2.gz BZZHYEQKMNVRGY-MRXNPFEDSA-N 2 2 376.476 3.309 20 30 GGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262243525 1433932074 /nfs/dbraw/zinc/93/20/74/1433932074.db2.gz BZZHYEQKMNVRGY-MRXNPFEDSA-N 2 2 376.476 3.309 20 30 GGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263245934 1433998201 /nfs/dbraw/zinc/99/82/01/1433998201.db2.gz HQGFSZSSDXVABC-QUCCMNQESA-N 2 2 396.560 3.032 20 30 GGEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263245934 1433998205 /nfs/dbraw/zinc/99/82/05/1433998205.db2.gz HQGFSZSSDXVABC-QUCCMNQESA-N 2 2 396.560 3.032 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000264360678 1434102178 /nfs/dbraw/zinc/10/21/78/1434102178.db2.gz OOGVFPSRKJUCHQ-HDICACEKSA-N 2 2 386.540 3.068 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000264360678 1434102179 /nfs/dbraw/zinc/10/21/79/1434102179.db2.gz OOGVFPSRKJUCHQ-HDICACEKSA-N 2 2 386.540 3.068 20 30 GGEDLP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3[nH]cc[nH+]3)CC1)CCCC2 ZINC000265479236 1434238019 /nfs/dbraw/zinc/23/80/19/1434238019.db2.gz KMUUUEXWMVHTBF-UHFFFAOYSA-N 2 2 383.521 3.430 20 30 GGEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCCC2 ZINC000266970347 1434394369 /nfs/dbraw/zinc/39/43/69/1434394369.db2.gz ZWBBKNHHWVYGOX-AWEZNQCLSA-N 2 2 383.521 3.430 20 30 GGEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCCC2 ZINC000266970347 1434394370 /nfs/dbraw/zinc/39/43/70/1434394370.db2.gz ZWBBKNHHWVYGOX-AWEZNQCLSA-N 2 2 383.521 3.430 20 30 GGEDLP CN(CCC#N)c1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000269520150 1434655773 /nfs/dbraw/zinc/65/57/73/1434655773.db2.gz RUXDCYCKUPJUKW-NRFANRHFSA-N 2 2 378.524 3.184 20 30 GGEDLP COCCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271846963 1434854538 /nfs/dbraw/zinc/85/45/38/1434854538.db2.gz HXQVLOXCPGCXDU-UHFFFAOYSA-N 2 2 379.504 3.338 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(C(=O)NC4CC4)c3)CC2)cc1 ZINC000271902764 1434858243 /nfs/dbraw/zinc/85/82/43/1434858243.db2.gz VXNXAMRQFGYLEI-UHFFFAOYSA-N 2 2 388.515 3.205 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788816 1435092659 /nfs/dbraw/zinc/09/26/59/1435092659.db2.gz BOHAZDDEWPJURT-DYXWJJEUSA-N 2 2 382.552 3.218 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788816 1435092661 /nfs/dbraw/zinc/09/26/61/1435092661.db2.gz BOHAZDDEWPJURT-DYXWJJEUSA-N 2 2 382.552 3.218 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881114 1435100743 /nfs/dbraw/zinc/10/07/43/1435100743.db2.gz ZRVCNWLYYCXPNT-MGPUTAFESA-N 2 2 380.492 3.207 20 30 GGEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881114 1435100746 /nfs/dbraw/zinc/10/07/46/1435100746.db2.gz ZRVCNWLYYCXPNT-MGPUTAFESA-N 2 2 380.492 3.207 20 30 GGEDLP N#CCCn1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(-c2ccncc2)n1 ZINC000278692809 1435414304 /nfs/dbraw/zinc/41/43/04/1435414304.db2.gz QEAGTLFUPVIUQV-UHFFFAOYSA-N 2 2 375.480 3.236 20 30 GGEDLP N#CCCn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345797 1435488895 /nfs/dbraw/zinc/48/88/95/1435488895.db2.gz FNLZHZMXANQBII-KNQAVFIVSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345797 1435488896 /nfs/dbraw/zinc/48/88/96/1435488896.db2.gz FNLZHZMXANQBII-KNQAVFIVSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345797 1435488898 /nfs/dbraw/zinc/48/88/98/1435488898.db2.gz FNLZHZMXANQBII-KNQAVFIVSA-N 2 2 390.535 3.307 20 30 GGEDLP N#CCCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345797 1435488899 /nfs/dbraw/zinc/48/88/99/1435488899.db2.gz FNLZHZMXANQBII-KNQAVFIVSA-N 2 2 390.535 3.307 20 30 GGEDLP C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000279367493 1435491792 /nfs/dbraw/zinc/49/17/92/1435491792.db2.gz IFOJLYCJTNALDM-UHFFFAOYSA-N 2 2 379.552 3.069 20 30 GGEDLP C#CCn1ccc(C[N@H+](CC)Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000279367493 1435491794 /nfs/dbraw/zinc/49/17/94/1435491794.db2.gz IFOJLYCJTNALDM-UHFFFAOYSA-N 2 2 379.552 3.069 20 30 GGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280181463 1435604821 /nfs/dbraw/zinc/60/48/21/1435604821.db2.gz AFDVOGAKGFFXAQ-GOSISDBHSA-N 2 2 399.988 3.329 20 30 GGEDLP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284679744 1436039742 /nfs/dbraw/zinc/03/97/42/1436039742.db2.gz RBBDPHKAYNSGNC-GMAHTHKFSA-N 2 2 393.535 3.420 20 30 GGEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809119 720102767 /nfs/dbraw/zinc/10/27/67/720102767.db2.gz HCFKXZAJRQJZLY-OFNKIYASSA-N 2 2 376.504 3.291 20 30 GGEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809119 720102774 /nfs/dbraw/zinc/10/27/74/720102774.db2.gz HCFKXZAJRQJZLY-OFNKIYASSA-N 2 2 376.504 3.291 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836185 720616650 /nfs/dbraw/zinc/61/66/50/720616650.db2.gz FDDYOXCCYPIMTR-PWRODBHTSA-N 2 2 378.524 3.030 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836185 720616665 /nfs/dbraw/zinc/61/66/65/720616665.db2.gz FDDYOXCCYPIMTR-PWRODBHTSA-N 2 2 378.524 3.030 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836186 720617069 /nfs/dbraw/zinc/61/70/69/720617069.db2.gz FDDYOXCCYPIMTR-QHAWAJNXSA-N 2 2 378.524 3.030 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836186 720617073 /nfs/dbraw/zinc/61/70/73/720617073.db2.gz FDDYOXCCYPIMTR-QHAWAJNXSA-N 2 2 378.524 3.030 20 30 GGEDLP C=CC[NH+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165032300 721871079 /nfs/dbraw/zinc/87/10/79/721871079.db2.gz NFITZRIWVFMMBE-UHFFFAOYSA-N 2 2 397.592 3.474 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973860 722110987 /nfs/dbraw/zinc/11/09/87/722110987.db2.gz HNLFECKAVAJTMM-GMAHTHKFSA-N 2 2 399.498 3.229 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973860 722110989 /nfs/dbraw/zinc/11/09/89/722110989.db2.gz HNLFECKAVAJTMM-GMAHTHKFSA-N 2 2 399.498 3.229 20 30 GGEDLP C#CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000823839026 946491692 /nfs/dbraw/zinc/49/16/92/946491692.db2.gz YTSFRVIEIIMOHZ-JOCHJYFZSA-N 2 2 386.503 3.185 20 30 GGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177912222 565880486 /nfs/dbraw/zinc/88/04/86/565880486.db2.gz YABBQDRWLBLXPL-AWEZNQCLSA-N 2 2 380.330 3.406 20 30 GGEDLP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000363016733 565987550 /nfs/dbraw/zinc/98/75/50/565987550.db2.gz DVCSKQMGVIGXCN-UHFFFAOYSA-N 2 2 397.276 3.332 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C#N)ccc1Br ZINC000365193262 566089263 /nfs/dbraw/zinc/08/92/63/566089263.db2.gz ZTENBLVKYZYIGJ-NXHRZFHOSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C#N)ccc1Br ZINC000365193262 566089268 /nfs/dbraw/zinc/08/92/68/566089268.db2.gz ZTENBLVKYZYIGJ-NXHRZFHOSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Br ZINC000367949310 566224503 /nfs/dbraw/zinc/22/45/03/566224503.db2.gz CPZZZAQGNIKQLA-KBAYOESNSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Br ZINC000367949310 566224504 /nfs/dbraw/zinc/22/45/04/566224504.db2.gz CPZZZAQGNIKQLA-KBAYOESNSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1Br ZINC000367949312 566224735 /nfs/dbraw/zinc/22/47/35/566224735.db2.gz CPZZZAQGNIKQLA-NXHRZFHOSA-N 2 2 378.314 3.004 20 30 GGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1Br ZINC000367949312 566224740 /nfs/dbraw/zinc/22/47/40/566224740.db2.gz CPZZZAQGNIKQLA-NXHRZFHOSA-N 2 2 378.314 3.004 20 30 GGEDLP Cn1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1C#N ZINC000578370037 566515772 /nfs/dbraw/zinc/51/57/72/566515772.db2.gz NFEGWWZJVIPMAF-UHFFFAOYSA-N 2 2 388.269 3.151 20 30 GGEDLP Cn1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1C#N ZINC000578370037 566515781 /nfs/dbraw/zinc/51/57/81/566515781.db2.gz NFEGWWZJVIPMAF-UHFFFAOYSA-N 2 2 388.269 3.151 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469879302 566823013 /nfs/dbraw/zinc/82/30/13/566823013.db2.gz FMQUTOGIFQPLNO-SQWLQELKSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469879302 566823018 /nfs/dbraw/zinc/82/30/18/566823018.db2.gz FMQUTOGIFQPLNO-SQWLQELKSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469879299 566823194 /nfs/dbraw/zinc/82/31/94/566823194.db2.gz FMQUTOGIFQPLNO-OFQRWUPVSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469879299 566823198 /nfs/dbraw/zinc/82/31/98/566823198.db2.gz FMQUTOGIFQPLNO-OFQRWUPVSA-N 2 2 381.314 3.192 20 30 GGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474705028 567194311 /nfs/dbraw/zinc/19/43/11/567194311.db2.gz BSWVLTPKMBOKQM-UHFFFAOYSA-N 2 2 392.231 3.309 20 30 GGEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555627 567484886 /nfs/dbraw/zinc/48/48/86/567484886.db2.gz AZUNAHGCBMGIOG-CYBMUJFWSA-N 2 2 381.293 3.040 20 30 GGEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555627 567484890 /nfs/dbraw/zinc/48/48/90/567484890.db2.gz AZUNAHGCBMGIOG-CYBMUJFWSA-N 2 2 381.293 3.040 20 30 GGEDLP C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761313 1405861145 /nfs/dbraw/zinc/86/11/45/1405861145.db2.gz JGCKKRVHGGLCBH-UHFFFAOYSA-N 2 2 388.531 3.082 20 30 GGEDLP C=CCc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc(OC)c1O ZINC000092665056 1410184841 /nfs/dbraw/zinc/18/48/41/1410184841.db2.gz XOLWQQAVDHNNTL-RTBURBONSA-N 2 2 387.568 3.120 20 30 GGEDLP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000176967596 1428533762 /nfs/dbraw/zinc/53/37/62/1428533762.db2.gz JTXYNNNMQMNIJD-UHFFFAOYSA-N 2 2 389.381 3.375 20 30 GGEDLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000109404865 1411755986 /nfs/dbraw/zinc/75/59/86/1411755986.db2.gz LTPWOTXYHFXQQX-UHFFFAOYSA-N 2 2 390.531 3.113 20 30 GGEDLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000109404865 1411755990 /nfs/dbraw/zinc/75/59/90/1411755990.db2.gz LTPWOTXYHFXQQX-UHFFFAOYSA-N 2 2 390.531 3.113 20 30 GGEDLP N#Cc1c(NC(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)sc2c1CCCC2 ZINC000109792224 1411810614 /nfs/dbraw/zinc/81/06/14/1411810614.db2.gz OOTHUIVRPXHTCA-UHFFFAOYSA-N 2 2 383.521 3.361 20 30 GGEDLP C[N@H+](CCCOc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258181 1428656735 /nfs/dbraw/zinc/65/67/35/1428656735.db2.gz CTZNWYCQVNWAQO-UHFFFAOYSA-N 2 2 378.520 3.361 20 30 GGEDLP C[N@@H+](CCCOc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258181 1428656739 /nfs/dbraw/zinc/65/67/39/1428656739.db2.gz CTZNWYCQVNWAQO-UHFFFAOYSA-N 2 2 378.520 3.361 20 30 GGEDLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000115596576 1412723546 /nfs/dbraw/zinc/72/35/46/1412723546.db2.gz FZUJZJHHDHHULV-JOCHJYFZSA-N 2 2 376.504 3.106 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123704904 1414812831 /nfs/dbraw/zinc/81/28/31/1414812831.db2.gz IGJAZSXEDVNAOS-FQEVSTJZSA-N 2 2 393.535 3.238 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123704904 1414812832 /nfs/dbraw/zinc/81/28/32/1414812832.db2.gz IGJAZSXEDVNAOS-FQEVSTJZSA-N 2 2 393.535 3.238 20 30 GGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123750823 1414819667 /nfs/dbraw/zinc/81/96/67/1414819667.db2.gz YFHWUKGEWFCNMJ-LSDHHAIUSA-N 2 2 385.899 3.227 20 30 GGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123750823 1414819668 /nfs/dbraw/zinc/81/96/68/1414819668.db2.gz YFHWUKGEWFCNMJ-LSDHHAIUSA-N 2 2 385.899 3.227 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124785464 1415043627 /nfs/dbraw/zinc/04/36/27/1415043627.db2.gz YUXWTJFUDKHWCZ-GOTSBHOMSA-N 2 2 396.579 3.286 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124785464 1415043634 /nfs/dbraw/zinc/04/36/34/1415043634.db2.gz YUXWTJFUDKHWCZ-GOTSBHOMSA-N 2 2 396.579 3.286 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124785241 1415044023 /nfs/dbraw/zinc/04/40/23/1415044023.db2.gz YUXWTJFUDKHWCZ-PKTZIBPZSA-N 2 2 396.579 3.286 20 30 GGEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124785241 1415044024 /nfs/dbraw/zinc/04/40/24/1415044024.db2.gz YUXWTJFUDKHWCZ-PKTZIBPZSA-N 2 2 396.579 3.286 20 30 GGEDLP C=C(C)COc1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1OC ZINC000127274939 1415713411 /nfs/dbraw/zinc/71/34/11/1415713411.db2.gz QBBGLANEVOQZEZ-QFIPXVFZSA-N 2 2 396.531 3.159 20 30 GGEDLP C=C(C)COc1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1OC ZINC000127274939 1415713419 /nfs/dbraw/zinc/71/34/19/1415713419.db2.gz QBBGLANEVOQZEZ-QFIPXVFZSA-N 2 2 396.531 3.159 20 30 GGEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131398345 1416551107 /nfs/dbraw/zinc/55/11/07/1416551107.db2.gz WGEDSWOQCHETSK-LSDHHAIUSA-N 2 2 397.548 3.124 20 30 GGEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131398345 1416551113 /nfs/dbraw/zinc/55/11/13/1416551113.db2.gz WGEDSWOQCHETSK-LSDHHAIUSA-N 2 2 397.548 3.124 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875875 1429206609 /nfs/dbraw/zinc/20/66/09/1429206609.db2.gz PTVUYSKTPHNFOS-VXKWHMMOSA-N 2 2 382.552 3.162 20 30 GGEDLP CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875875 1429206625 /nfs/dbraw/zinc/20/66/25/1429206625.db2.gz PTVUYSKTPHNFOS-VXKWHMMOSA-N 2 2 382.552 3.162 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151112401 1417874547 /nfs/dbraw/zinc/87/45/47/1417874547.db2.gz ANQKIGABKQRZEG-HXUWFJFHSA-N 2 2 391.519 3.156 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156560570 1423828762 /nfs/dbraw/zinc/82/87/62/1423828762.db2.gz XXPDNZYSDSBXDO-PZJWPPBQSA-N 2 2 379.508 3.330 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156560570 1423828765 /nfs/dbraw/zinc/82/87/65/1423828765.db2.gz XXPDNZYSDSBXDO-PZJWPPBQSA-N 2 2 379.508 3.330 20 30 GGEDLP C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160065092 1424569151 /nfs/dbraw/zinc/56/91/51/1424569151.db2.gz ZXLYPYKEXXXLBZ-JKSUJKDBSA-N 2 2 388.585 3.338 20 30 GGEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000160630292 1424620837 /nfs/dbraw/zinc/62/08/37/1424620837.db2.gz CPRFWZTZCKQBOB-STQMWFEESA-N 2 2 388.434 3.200 20 30 GGEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccccc1OC(F)(F)F ZINC000160690582 1424627167 /nfs/dbraw/zinc/62/71/67/1424627167.db2.gz YYPXMTRKJPWIRP-UHFFFAOYSA-N 2 2 384.427 3.432 20 30 GGEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccccc1OC(F)(F)F ZINC000160690582 1424627172 /nfs/dbraw/zinc/62/71/72/1424627172.db2.gz YYPXMTRKJPWIRP-UHFFFAOYSA-N 2 2 384.427 3.432 20 30 GGEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165539072 1425184614 /nfs/dbraw/zinc/18/46/14/1425184614.db2.gz URKLEROSDDHMHG-SFTDATJTSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165539072 1425184620 /nfs/dbraw/zinc/18/46/20/1425184620.db2.gz URKLEROSDDHMHG-SFTDATJTSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165538930 1425185137 /nfs/dbraw/zinc/18/51/37/1425185137.db2.gz URKLEROSDDHMHG-RTWAWAEBSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165538930 1425185144 /nfs/dbraw/zinc/18/51/44/1425185144.db2.gz URKLEROSDDHMHG-RTWAWAEBSA-N 2 2 383.540 3.359 20 30 GGEDLP CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000170904004 1425386578 /nfs/dbraw/zinc/38/65/78/1425386578.db2.gz YDGDQJHFZXIBJD-LJQANCHMSA-N 2 2 386.565 3.178 20 30 GGEDLP CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000170904004 1425386581 /nfs/dbraw/zinc/38/65/81/1425386581.db2.gz YDGDQJHFZXIBJD-LJQANCHMSA-N 2 2 386.565 3.178 20 30 GGEDLP CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972120 1426917624 /nfs/dbraw/zinc/91/76/24/1426917624.db2.gz ZGJJSABRCARCGL-UHFFFAOYSA-N 2 2 377.492 3.130 20 30 GGEDLP CC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972120 1426917625 /nfs/dbraw/zinc/91/76/25/1426917625.db2.gz ZGJJSABRCARCGL-UHFFFAOYSA-N 2 2 377.492 3.130 20 30 GGEDLP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181386205 1430286179 /nfs/dbraw/zinc/28/61/79/1430286179.db2.gz YBXNPGYOSBLMEB-UHFFFAOYSA-N 2 2 379.504 3.372 20 30 GGEDLP C[NH+](C)CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181524386 1430315196 /nfs/dbraw/zinc/31/51/96/1430315196.db2.gz QEVCLGQGZWQQFX-UHFFFAOYSA-N 3 2 392.547 3.253 20 30 GGEDLP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000181616186 1430328733 /nfs/dbraw/zinc/32/87/33/1430328733.db2.gz DFCNPUQAQPVAFL-WOJBJXKFSA-N 3 2 384.568 3.002 20 30 GGEDLP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181627007 1430330384 /nfs/dbraw/zinc/33/03/84/1430330384.db2.gz SFDUMHSAJSPYFM-UHFFFAOYSA-N 3 2 392.547 3.253 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3nnc4n3CCCCC4)CC2)cc1 ZINC000181668631 1430338533 /nfs/dbraw/zinc/33/85/33/1430338533.db2.gz XEZCSVSQBOYAJD-UHFFFAOYSA-N 2 2 392.551 3.063 20 30 GGEDLP CC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181682292 1430341008 /nfs/dbraw/zinc/34/10/08/1430341008.db2.gz PESNTSYONCWMPX-UHFFFAOYSA-N 2 2 376.504 3.313 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000181688854 1430341949 /nfs/dbraw/zinc/34/19/49/1430341949.db2.gz JJESDDQFPRVMGZ-UHFFFAOYSA-N 2 2 395.478 3.361 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3ccccc3Cl)CC2)cc1 ZINC000181747159 1430351929 /nfs/dbraw/zinc/35/19/29/1430351929.db2.gz RSIXITBWIVYUTM-UHFFFAOYSA-N 2 2 396.922 3.196 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000181757992 1430353639 /nfs/dbraw/zinc/35/36/39/1430353639.db2.gz WRNMFPDUERYVFE-QFIPXVFZSA-N 2 2 388.515 3.197 20 30 GGEDLP CC(C)OCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181851159 1430372251 /nfs/dbraw/zinc/37/22/51/1430372251.db2.gz RYFYKHUHCHCRHY-UHFFFAOYSA-N 2 2 384.568 3.002 20 30 GGEDLP COc1ccc(COCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181916789 1430382802 /nfs/dbraw/zinc/38/28/02/1430382802.db2.gz KBJKPGYEUUKYJB-UHFFFAOYSA-N 2 2 379.504 3.338 20 30 GGEDLP CC(=O)Nc1cccc(OCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181923723 1430383896 /nfs/dbraw/zinc/38/38/96/1430383896.db2.gz OURAPOKDEFMQHS-UHFFFAOYSA-N 2 2 392.503 3.150 20 30 GGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N4CCOC4=O)cc3)CC2)cc1 ZINC000183730158 1430782829 /nfs/dbraw/zinc/78/28/29/1430782829.db2.gz WEYVAMJRJLZRCG-UHFFFAOYSA-N 2 2 390.487 3.269 20 30 GGEDLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186678808 1431490167 /nfs/dbraw/zinc/49/01/67/1431490167.db2.gz WBVDLNXBAYPTPW-UHFFFAOYSA-N 2 2 390.959 3.272 20 30 GGEDLP C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000190613727 1432420659 /nfs/dbraw/zinc/42/06/59/1432420659.db2.gz UMJBVIJIUKDVSZ-VGSWGCGISA-N 2 2 385.471 3.196 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000190613670 1432420893 /nfs/dbraw/zinc/42/08/93/1432420893.db2.gz UMJBVIJIUKDVSZ-HTAPYJJXSA-N 2 2 385.471 3.196 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357061 1432836272 /nfs/dbraw/zinc/83/62/72/1432836272.db2.gz VKRGTMWBQMNMKH-WMZHIEFXSA-N 2 2 379.504 3.358 20 30 GGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357061 1432836274 /nfs/dbraw/zinc/83/62/74/1432836274.db2.gz VKRGTMWBQMNMKH-WMZHIEFXSA-N 2 2 379.504 3.358 20 30 GGEDLP N#CCCCOc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000237824642 1433426590 /nfs/dbraw/zinc/42/65/90/1433426590.db2.gz FGZVWSMJZBELHK-UHFFFAOYSA-N 2 2 379.504 3.491 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245437563 1433467547 /nfs/dbraw/zinc/46/75/47/1433467547.db2.gz DWDXILPHXSGMJH-PZJWPPBQSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245437563 1433467548 /nfs/dbraw/zinc/46/75/48/1433467548.db2.gz DWDXILPHXSGMJH-PZJWPPBQSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245437563 1433467549 /nfs/dbraw/zinc/46/75/49/1433467549.db2.gz DWDXILPHXSGMJH-PZJWPPBQSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245437563 1433467550 /nfs/dbraw/zinc/46/75/50/1433467550.db2.gz DWDXILPHXSGMJH-PZJWPPBQSA-N 2 2 382.552 3.171 20 30 GGEDLP C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245606630 1433490316 /nfs/dbraw/zinc/49/03/16/1433490316.db2.gz NKEUZZZPBLDSEL-QFBILLFUSA-N 2 2 385.899 3.366 20 30 GGEDLP C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245606630 1433490317 /nfs/dbraw/zinc/49/03/17/1433490317.db2.gz NKEUZZZPBLDSEL-QFBILLFUSA-N 2 2 385.899 3.366 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246052831 1433561925 /nfs/dbraw/zinc/56/19/25/1433561925.db2.gz AZCZYTYEIUBLBW-FCHUYYIVSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246052831 1433561930 /nfs/dbraw/zinc/56/19/30/1433561930.db2.gz AZCZYTYEIUBLBW-FCHUYYIVSA-N 2 2 397.567 3.037 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246789968 1433667167 /nfs/dbraw/zinc/66/71/67/1433667167.db2.gz PKORVZJBMQNACN-NHCUHLMSSA-N 2 2 383.540 3.359 20 30 GGEDLP CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246789968 1433667168 /nfs/dbraw/zinc/66/71/68/1433667168.db2.gz PKORVZJBMQNACN-NHCUHLMSSA-N 2 2 383.540 3.359 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246790887 1433667206 /nfs/dbraw/zinc/66/72/06/1433667206.db2.gz MIRLTXZTQOZXLF-KNKQGSTJSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246790887 1433667210 /nfs/dbraw/zinc/66/72/10/1433667210.db2.gz MIRLTXZTQOZXLF-KNKQGSTJSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246790887 1433667213 /nfs/dbraw/zinc/66/72/13/1433667213.db2.gz MIRLTXZTQOZXLF-KNKQGSTJSA-N 2 2 380.536 3.270 20 30 GGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246790887 1433667218 /nfs/dbraw/zinc/66/72/18/1433667218.db2.gz MIRLTXZTQOZXLF-KNKQGSTJSA-N 2 2 380.536 3.270 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247359448 1433712937 /nfs/dbraw/zinc/71/29/37/1433712937.db2.gz YQTDITZQAPDTPU-JAXLGGSGSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247359448 1433712941 /nfs/dbraw/zinc/71/29/41/1433712941.db2.gz YQTDITZQAPDTPU-JAXLGGSGSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247359448 1433712946 /nfs/dbraw/zinc/71/29/46/1433712946.db2.gz YQTDITZQAPDTPU-JAXLGGSGSA-N 2 2 382.552 3.355 20 30 GGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247359448 1433712951 /nfs/dbraw/zinc/71/29/51/1433712951.db2.gz YQTDITZQAPDTPU-JAXLGGSGSA-N 2 2 382.552 3.355 20 30 GGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446394 1433724076 /nfs/dbraw/zinc/72/40/76/1433724076.db2.gz YFHWUKGEWFCNMJ-GJZGRUSLSA-N 2 2 385.899 3.227 20 30 GGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446394 1433724082 /nfs/dbraw/zinc/72/40/82/1433724082.db2.gz YFHWUKGEWFCNMJ-GJZGRUSLSA-N 2 2 385.899 3.227 20 30 GGEDLP CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000255130629 1433877205 /nfs/dbraw/zinc/87/72/05/1433877205.db2.gz UEZRLEAXMMPAOW-MLDHBFCZSA-N 2 2 394.563 3.367 20 30 GGEDLP CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000255130629 1433877206 /nfs/dbraw/zinc/87/72/06/1433877206.db2.gz UEZRLEAXMMPAOW-MLDHBFCZSA-N 2 2 394.563 3.367 20 30 GGEDLP C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261959724 1433916334 /nfs/dbraw/zinc/91/63/34/1433916334.db2.gz JUKAKYGZXLAPBN-OXJNMPFZSA-N 2 2 378.480 3.197 20 30 GGEDLP C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261959723 1433916393 /nfs/dbraw/zinc/91/63/93/1433916393.db2.gz JUKAKYGZXLAPBN-JXFKEZNVSA-N 2 2 378.480 3.197 20 30 GGEDLP CC[NH+]=C(NCCn1c(C)nc2ccccc21)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261998997 1433920807 /nfs/dbraw/zinc/92/08/07/1433920807.db2.gz TXMJNMNWKXNWDP-UWJYYQICSA-N 2 2 393.539 3.090 20 30 GGEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262398479 1433937783 /nfs/dbraw/zinc/93/77/83/1433937783.db2.gz JQYXYRYNCZTIQX-CUDHKJQZSA-N 2 2 388.556 3.175 20 30 GGEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N(C)Cc1cccc(Cl)c1 ZINC000262537551 1433942626 /nfs/dbraw/zinc/94/26/26/1433942626.db2.gz KHHNEYWJTFCWIN-UHFFFAOYSA-N 2 2 382.899 3.437 20 30 GGEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263245930 1433998156 /nfs/dbraw/zinc/99/81/56/1433998156.db2.gz HQGFSZSSDXVABC-AZUAARDMSA-N 2 2 396.560 3.032 20 30 GGEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263245930 1433998161 /nfs/dbraw/zinc/99/81/61/1433998161.db2.gz HQGFSZSSDXVABC-AZUAARDMSA-N 2 2 396.560 3.032 20 30 GGEDLP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)cc1Cl ZINC000263262782 1433999120 /nfs/dbraw/zinc/99/91/20/1433999120.db2.gz UAIGOWPVRBMFFX-UHFFFAOYSA-N 2 2 380.920 3.110 20 30 GGEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264334180 1434098404 /nfs/dbraw/zinc/09/84/04/1434098404.db2.gz AANNXLQRNIVCJS-GOSISDBHSA-N 2 2 386.540 3.242 20 30 GGEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000264360679 1434102253 /nfs/dbraw/zinc/10/22/53/1434102253.db2.gz OOGVFPSRKJUCHQ-QZTJIDSGSA-N 2 2 386.540 3.068 20 30 GGEDLP C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270397249 1434730064 /nfs/dbraw/zinc/73/00/64/1434730064.db2.gz YSRFCZJVHMYFTB-UHFFFAOYSA-N 2 2 392.507 3.301 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917367 1434859180 /nfs/dbraw/zinc/85/91/80/1434859180.db2.gz ZGQWVRSROSMQKB-AVCGJXAMSA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917367 1434859182 /nfs/dbraw/zinc/85/91/82/1434859182.db2.gz ZGQWVRSROSMQKB-AVCGJXAMSA-N 2 2 379.504 3.123 20 30 GGEDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271923104 1434859566 /nfs/dbraw/zinc/85/95/66/1434859566.db2.gz FRAYGPZZGCOCAN-KRWDZBQOSA-N 2 2 383.467 3.259 20 30 GGEDLP CC1(C#N)CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000272652180 1434919695 /nfs/dbraw/zinc/91/96/95/1434919695.db2.gz ZOJMKCCYVVEKGC-IBGZPJMESA-N 2 2 388.943 3.219 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788820 1435092587 /nfs/dbraw/zinc/09/25/87/1435092587.db2.gz BOHAZDDEWPJURT-IRFCIJBXSA-N 2 2 382.552 3.218 20 30 GGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788820 1435092588 /nfs/dbraw/zinc/09/25/88/1435092588.db2.gz BOHAZDDEWPJURT-IRFCIJBXSA-N 2 2 382.552 3.218 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796718 1435093249 /nfs/dbraw/zinc/09/32/49/1435093249.db2.gz DHEJYKRTBLRVFC-LQWHRVPQSA-N 2 2 376.504 3.385 20 30 GGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796718 1435093251 /nfs/dbraw/zinc/09/32/51/1435093251.db2.gz DHEJYKRTBLRVFC-LQWHRVPQSA-N 2 2 376.504 3.385 20 30 GGEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278918014 1435439671 /nfs/dbraw/zinc/43/96/71/1435439671.db2.gz REQDTJVASNANKD-MRXNPFEDSA-N 2 2 377.492 3.298 20 30 GGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000282605182 1435853404 /nfs/dbraw/zinc/85/34/04/1435853404.db2.gz YMQYMGSWFDEJAF-GOSISDBHSA-N 2 2 382.533 3.449 20 30 GGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000282605182 1435853407 /nfs/dbraw/zinc/85/34/07/1435853407.db2.gz YMQYMGSWFDEJAF-GOSISDBHSA-N 2 2 382.533 3.449 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000284109133 1435992212 /nfs/dbraw/zinc/99/22/12/1435992212.db2.gz GPQSBWSADAVFGW-RTWAWAEBSA-N 2 2 386.515 3.107 20 30 GGEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000284109133 1435992213 /nfs/dbraw/zinc/99/22/13/1435992213.db2.gz GPQSBWSADAVFGW-RTWAWAEBSA-N 2 2 386.515 3.107 20 30 GGEDLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)CC1 ZINC001164614188 719025446 /nfs/dbraw/zinc/02/54/46/719025446.db2.gz OXDOXQOYEKOXRH-UHFFFAOYSA-N 2 2 392.503 3.350 20 30 GGEDLP Cc1[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1CC#N ZINC001164706332 719899240 /nfs/dbraw/zinc/89/92/40/719899240.db2.gz HYGNNNZBRMLCRR-UHFFFAOYSA-N 2 2 382.533 3.389 20 30 GGEDLP Cc1[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1CC#N ZINC001164706332 719899241 /nfs/dbraw/zinc/89/92/41/719899241.db2.gz HYGNNNZBRMLCRR-UHFFFAOYSA-N 2 2 382.533 3.389 20 30 GGEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809118 720101998 /nfs/dbraw/zinc/10/19/98/720101998.db2.gz HCFKXZAJRQJZLY-NZQKXSOJSA-N 2 2 376.504 3.291 20 30 GGEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001164809118 720101999 /nfs/dbraw/zinc/10/19/99/720101999.db2.gz HCFKXZAJRQJZLY-NZQKXSOJSA-N 2 2 376.504 3.291 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836184 720615247 /nfs/dbraw/zinc/61/52/47/720615247.db2.gz FDDYOXCCYPIMTR-PCCBWWKXSA-N 2 2 378.524 3.030 20 30 GGEDLP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836184 720615261 /nfs/dbraw/zinc/61/52/61/720615261.db2.gz FDDYOXCCYPIMTR-PCCBWWKXSA-N 2 2 378.524 3.030 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973855 722111025 /nfs/dbraw/zinc/11/10/25/722111025.db2.gz HNLFECKAVAJTMM-FYYLOGMGSA-N 2 2 399.498 3.229 20 30 GGEDLP N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973855 722111027 /nfs/dbraw/zinc/11/10/27/722111027.db2.gz HNLFECKAVAJTMM-FYYLOGMGSA-N 2 2 399.498 3.229 20 30 GGEDLP