smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328703739 1022471571 /nfs/dbraw/zinc/47/15/71/1022471571.db2.gz OIWXLTMXPCVTCD-ZBFHGGJFSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328703739 1022471579 /nfs/dbraw/zinc/47/15/79/1022471579.db2.gz OIWXLTMXPCVTCD-ZBFHGGJFSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000328715528 1022476243 /nfs/dbraw/zinc/47/62/43/1022476243.db2.gz SWYAOZFHYVSUEH-ZBFHGGJFSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000328715528 1022476247 /nfs/dbraw/zinc/47/62/47/1022476247.db2.gz SWYAOZFHYVSUEH-ZBFHGGJFSA-N 1 1 330.407 3.644 10 30 EHEEMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329045213 1025579807 /nfs/dbraw/zinc/57/98/07/1025579807.db2.gz PPTRSMLTSYNHJE-CJNGLKHVSA-N 1 1 346.475 3.662 10 30 EHEEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329045213 1025579817 /nfs/dbraw/zinc/57/98/17/1025579817.db2.gz PPTRSMLTSYNHJE-CJNGLKHVSA-N 1 1 346.475 3.662 10 30 EHEEMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641724 1027736770 /nfs/dbraw/zinc/73/67/70/1027736770.db2.gz BGTAXMGEYBUEHN-KZULUSFZSA-N 1 1 340.427 3.933 10 30 EHEEMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000252692401 1029227312 /nfs/dbraw/zinc/22/73/12/1029227312.db2.gz BHDNWEGHSDJSRC-SJLPKXTDSA-N 1 1 333.439 3.700 10 30 EHEEMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000252692401 1029227327 /nfs/dbraw/zinc/22/73/27/1029227327.db2.gz BHDNWEGHSDJSRC-SJLPKXTDSA-N 1 1 333.439 3.700 10 30 EHEEMO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437850 201157907 /nfs/dbraw/zinc/15/79/07/201157907.db2.gz KAYXDGQJHOMXPL-CQSZACIVSA-N 1 1 342.393 3.505 10 30 EHEEMO C[C@H](c1c(F)cccc1F)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437850 201157909 /nfs/dbraw/zinc/15/79/09/201157909.db2.gz KAYXDGQJHOMXPL-CQSZACIVSA-N 1 1 342.393 3.505 10 30 EHEEMO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)n1cnc2ccccc21 ZINC000329108594 1025606973 /nfs/dbraw/zinc/60/69/73/1025606973.db2.gz FLRAUZOIAAQJTG-CABCVRRESA-N 1 1 326.444 3.571 10 30 EHEEMO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329495942 1025923678 /nfs/dbraw/zinc/92/36/78/1025923678.db2.gz XERVMKQHNAOJBW-LXZKKBNFSA-N 1 1 331.460 3.627 10 30 EHEEMO C=C[C@H](CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000179445285 1031776049 /nfs/dbraw/zinc/77/60/49/1031776049.db2.gz YPHQYYIQXQXUPA-GOSISDBHSA-N 1 1 337.467 3.561 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000328715527 1022475932 /nfs/dbraw/zinc/47/59/32/1022475932.db2.gz SWYAOZFHYVSUEH-HOCLYGCPSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000328715527 1022475936 /nfs/dbraw/zinc/47/59/36/1022475936.db2.gz SWYAOZFHYVSUEH-HOCLYGCPSA-N 1 1 330.407 3.644 10 30 EHEEMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245751621 1029243928 /nfs/dbraw/zinc/24/39/28/1029243928.db2.gz HEGXZIHNVUMBBH-FUHWJXTLSA-N 1 1 341.455 3.540 10 30 EHEEMO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000181626136 1032012322 /nfs/dbraw/zinc/01/23/22/1032012322.db2.gz HOTRYEWVPUMPRX-KRWDZBQOSA-N 1 1 341.499 3.894 10 30 EHEEMO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135689 1123167446 /nfs/dbraw/zinc/16/74/46/1123167446.db2.gz NUTINYCAWIRQKV-DOTOQJQBSA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135689 1123167447 /nfs/dbraw/zinc/16/74/47/1123167447.db2.gz NUTINYCAWIRQKV-DOTOQJQBSA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135689 1123167450 /nfs/dbraw/zinc/16/74/50/1123167450.db2.gz NUTINYCAWIRQKV-DOTOQJQBSA-N 1 1 325.481 3.792 10 30 EHEEMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC)c1ccnc2ccc(OC)cc21 ZINC000038342874 213207352 /nfs/dbraw/zinc/20/73/52/213207352.db2.gz QSOFUNXFUMLXCR-LATRNWQMSA-N 1 1 338.451 3.827 10 30 EHEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)[C@@H]1C ZINC000329035741 1025577520 /nfs/dbraw/zinc/57/75/20/1025577520.db2.gz MUPDKRFEQWSWTM-VDERGJSUSA-N 1 1 346.475 3.518 10 30 EHEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)[C@@H]1C ZINC000329035741 1025577535 /nfs/dbraw/zinc/57/75/35/1025577535.db2.gz MUPDKRFEQWSWTM-VDERGJSUSA-N 1 1 346.475 3.518 10 30 EHEEMO Cc1ccc(CCC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328640560 564137136 /nfs/dbraw/zinc/13/71/36/564137136.db2.gz XLSDSDDNJCQBPW-LPHOPBHVSA-N 1 1 327.428 3.565 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@]12C(=O)Nc1ccccc12 ZINC000328677396 1022463690 /nfs/dbraw/zinc/46/36/90/1022463690.db2.gz LZJZEQUYTZXZAR-MMACOIQUSA-N 1 1 347.393 3.808 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@]12C(=O)Nc1ccccc12 ZINC000328677396 1022463696 /nfs/dbraw/zinc/46/36/96/1022463696.db2.gz LZJZEQUYTZXZAR-MMACOIQUSA-N 1 1 347.393 3.808 10 30 EHEEMO CC[C@@H]1CC[N@@H+]1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000330266008 1024378967 /nfs/dbraw/zinc/37/89/67/1024378967.db2.gz HJJQUXYFZVMGPW-UZLBHIALSA-N 1 1 346.471 3.986 10 30 EHEEMO CC[C@@H]1CC[N@H+]1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000330266008 1024378980 /nfs/dbraw/zinc/37/89/80/1024378980.db2.gz HJJQUXYFZVMGPW-UZLBHIALSA-N 1 1 346.471 3.986 10 30 EHEEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329548256 1025982236 /nfs/dbraw/zinc/98/22/36/1025982236.db2.gz BDBOEIWBDPVWPI-LIVBEALHSA-N 1 1 339.439 3.525 10 30 EHEEMO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245722856 1029138968 /nfs/dbraw/zinc/13/89/68/1029138968.db2.gz IDMSTINYIFGOGD-LJQANCHMSA-N 1 1 341.480 3.671 10 30 EHEEMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245722856 1029138970 /nfs/dbraw/zinc/13/89/70/1029138970.db2.gz IDMSTINYIFGOGD-LJQANCHMSA-N 1 1 341.480 3.671 10 30 EHEEMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245751630 1030226838 /nfs/dbraw/zinc/22/68/38/1030226838.db2.gz HEGXZIHNVUMBBH-SJLPKXTDSA-N 1 1 341.455 3.540 10 30 EHEEMO C=CCC[C@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000178453686 1031667328 /nfs/dbraw/zinc/66/73/28/1031667328.db2.gz KQXYQHQYOOOSSM-IBGZPJMESA-N 1 1 327.472 3.574 10 30 EHEEMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1C#N ZINC000191360054 1036918680 /nfs/dbraw/zinc/91/86/80/1036918680.db2.gz GVEQAEDZZMMRKM-GOSISDBHSA-N 1 1 345.450 3.666 10 30 EHEEMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1cnc2ccccc2n1 ZINC000072457509 216242026 /nfs/dbraw/zinc/24/20/26/216242026.db2.gz GAKSQVZCMYIBHD-GOSISDBHSA-N 1 1 348.450 3.870 10 30 EHEEMO C=C(C)CC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685959276 564177082 /nfs/dbraw/zinc/17/70/82/564177082.db2.gz QCVZKTVPCFBCAU-QGZVFWFLSA-N 1 1 346.471 3.547 10 30 EHEEMO C=C(C)CC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685959276 564177083 /nfs/dbraw/zinc/17/70/83/564177083.db2.gz QCVZKTVPCFBCAU-QGZVFWFLSA-N 1 1 346.471 3.547 10 30 EHEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000330274155 1042776535 /nfs/dbraw/zinc/77/65/35/1042776535.db2.gz JRAKKLHNLYILCQ-ZDUSSCGKSA-N 1 1 337.427 3.597 10 30 EHEEMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH]ccc32)[C@@H]1c1cccnc1 ZINC000328622588 564136974 /nfs/dbraw/zinc/13/69/74/564136974.db2.gz IMUOWWVPBDQRRF-KXBFYZLASA-N 1 1 334.423 3.561 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000189749051 1016705549 /nfs/dbraw/zinc/70/55/49/1016705549.db2.gz NITWLGWDOCJOQW-IBGZPJMESA-N 1 1 345.450 3.511 10 30 EHEEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330132341 1018002518 /nfs/dbraw/zinc/00/25/18/1018002518.db2.gz LJKVVPMGGGMWJC-DZQUYAIASA-N 1 1 346.515 3.539 10 30 EHEEMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328632891 1022451303 /nfs/dbraw/zinc/45/13/03/1022451303.db2.gz AQIBNCJBLXQEHD-OWCLPIDISA-N 1 1 337.508 3.989 10 30 EHEEMO C=CCOc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000247273665 1028768386 /nfs/dbraw/zinc/76/83/86/1028768386.db2.gz YFPXGIXWNWHUGO-NVXWUHKLSA-N 1 1 339.888 3.611 10 30 EHEEMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000245575020 1028869858 /nfs/dbraw/zinc/86/98/58/1028869858.db2.gz ZSJWBQCBWOPFGX-QGZVFWFLSA-N 1 1 340.496 3.873 10 30 EHEEMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788825 1030522295 /nfs/dbraw/zinc/52/22/95/1030522295.db2.gz ZSJWBQCBWOPFGX-KRWDZBQOSA-N 1 1 340.496 3.873 10 30 EHEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCC2CCCCC2)C1 ZINC000329687376 1031799798 /nfs/dbraw/zinc/79/97/98/1031799798.db2.gz VESXSKFDHVUHIG-KRWDZBQOSA-N 1 1 332.492 3.967 10 30 EHEEMO Cc1nc(C[NH+]2CCC(CNc3ccc(F)cc3C#N)CC2)cs1 ZINC000301390949 1128589689 /nfs/dbraw/zinc/58/96/89/1128589689.db2.gz GSZROSOHIVEULV-UHFFFAOYSA-N 1 1 344.459 3.786 10 30 EHEEMO Cc1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000374757454 1129396186 /nfs/dbraw/zinc/39/61/86/1129396186.db2.gz BXGLRHXMLSBQHT-UXHICEINSA-N 1 1 332.451 3.505 10 30 EHEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(Cl)cn1 ZINC000072478667 216256542 /nfs/dbraw/zinc/25/65/42/216256542.db2.gz BYQSPIHSQKDZNK-UXLLHSPISA-N 1 1 333.863 3.742 10 30 EHEEMO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC000275638957 564009727 /nfs/dbraw/zinc/00/97/27/564009727.db2.gz KBUDOLBNEMKLKO-QGZVFWFLSA-N 1 1 338.480 3.506 10 30 EHEEMO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC000275638957 564009728 /nfs/dbraw/zinc/00/97/28/564009728.db2.gz KBUDOLBNEMKLKO-QGZVFWFLSA-N 1 1 338.480 3.506 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000328677398 1022464488 /nfs/dbraw/zinc/46/44/88/1022464488.db2.gz LZJZEQUYTZXZAR-XWRIVVANSA-N 1 1 347.393 3.808 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000328677398 1022464492 /nfs/dbraw/zinc/46/44/92/1022464492.db2.gz LZJZEQUYTZXZAR-XWRIVVANSA-N 1 1 347.393 3.808 10 30 EHEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788644 1030521755 /nfs/dbraw/zinc/52/17/55/1030521755.db2.gz FEVAMHIJHMWVPX-HOCLYGCPSA-N 1 1 327.453 3.814 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328726475 1022488228 /nfs/dbraw/zinc/48/82/28/1022488228.db2.gz ZQOLYIAFTLNYSN-BBRMVZONSA-N 1 1 332.835 3.850 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328726475 1022488235 /nfs/dbraw/zinc/48/82/35/1022488235.db2.gz ZQOLYIAFTLNYSN-BBRMVZONSA-N 1 1 332.835 3.850 10 30 EHEEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329049109 1025578427 /nfs/dbraw/zinc/57/84/27/1025578427.db2.gz QRCYKYGPCSOGCR-AYDDYBHNSA-N 1 1 346.475 3.660 10 30 EHEEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329049109 1025578441 /nfs/dbraw/zinc/57/84/41/1025578441.db2.gz QRCYKYGPCSOGCR-AYDDYBHNSA-N 1 1 346.475 3.660 10 30 EHEEMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329068944 1025586318 /nfs/dbraw/zinc/58/63/18/1025586318.db2.gz XWZGGIMFPGLVTN-HIFRSBDPSA-N 1 1 340.427 3.721 10 30 EHEEMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329068944 1025586325 /nfs/dbraw/zinc/58/63/25/1025586325.db2.gz XWZGGIMFPGLVTN-HIFRSBDPSA-N 1 1 340.427 3.721 10 30 EHEEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329548255 1025982208 /nfs/dbraw/zinc/98/22/08/1025982208.db2.gz BDBOEIWBDPVWPI-CFLQYTFWSA-N 1 1 339.439 3.525 10 30 EHEEMO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634567 201053614 /nfs/dbraw/zinc/05/36/14/201053614.db2.gz KAYXDGQJHOMXPL-AWEZNQCLSA-N 1 1 342.393 3.505 10 30 EHEEMO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634567 201053618 /nfs/dbraw/zinc/05/36/18/201053618.db2.gz KAYXDGQJHOMXPL-AWEZNQCLSA-N 1 1 342.393 3.505 10 30 EHEEMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1cnc2ccccc2n1 ZINC000072457510 564063856 /nfs/dbraw/zinc/06/38/56/564063856.db2.gz GAKSQVZCMYIBHD-SFHVURJKSA-N 1 1 348.450 3.870 10 30 EHEEMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc3cc[nH]c32)[C@@H]1c1cccnc1 ZINC000328619544 564136954 /nfs/dbraw/zinc/13/69/54/564136954.db2.gz GAFIJAUNTPAUNF-LPHOPBHVSA-N 1 1 334.423 3.561 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@]12C(=O)Nc1ccccc12 ZINC000328677397 1022464645 /nfs/dbraw/zinc/46/46/45/1022464645.db2.gz LZJZEQUYTZXZAR-RFVSGWPVSA-N 1 1 347.393 3.808 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@]12C(=O)Nc1ccccc12 ZINC000328677397 1022464647 /nfs/dbraw/zinc/46/46/47/1022464647.db2.gz LZJZEQUYTZXZAR-RFVSGWPVSA-N 1 1 347.393 3.808 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000328681644 1022466191 /nfs/dbraw/zinc/46/61/91/1022466191.db2.gz CPHCNUTWSJBNOT-CABCVRRESA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000328681644 1022466195 /nfs/dbraw/zinc/46/61/95/1022466195.db2.gz CPHCNUTWSJBNOT-CABCVRRESA-N 1 1 330.407 3.644 10 30 EHEEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C1 ZINC000328927989 1022623565 /nfs/dbraw/zinc/62/35/65/1022623565.db2.gz XMCSEIZJXLLZJO-AAEUAGOBSA-N 1 1 333.457 3.558 10 30 EHEEMO C=C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000248041788 1028842297 /nfs/dbraw/zinc/84/22/97/1028842297.db2.gz MCDINGORCSDRCD-RLLQIKCJSA-N 1 1 326.484 3.820 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328726477 1022489049 /nfs/dbraw/zinc/48/90/49/1022489049.db2.gz ZQOLYIAFTLNYSN-CZUORRHYSA-N 1 1 332.835 3.850 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328726477 1022489055 /nfs/dbraw/zinc/48/90/55/1022489055.db2.gz ZQOLYIAFTLNYSN-CZUORRHYSA-N 1 1 332.835 3.850 10 30 EHEEMO O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329497555 1025926012 /nfs/dbraw/zinc/92/60/12/1025926012.db2.gz XOFIFCKBZCJDCL-NXHRZFHOSA-N 1 1 345.487 3.753 10 30 EHEEMO C=CCOc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000247273673 1028769244 /nfs/dbraw/zinc/76/92/44/1028769244.db2.gz YFPXGIXWNWHUGO-WBVHZDCISA-N 1 1 339.888 3.611 10 30 EHEEMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1cccnc1 ZINC000328633058 564137092 /nfs/dbraw/zinc/13/70/92/564137092.db2.gz SIOKANKQOUGERB-LPHOPBHVSA-N 1 1 334.423 3.561 10 30 EHEEMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000247010466 1016283605 /nfs/dbraw/zinc/28/36/05/1016283605.db2.gz LMZSWMZLWDGCLP-FUHWJXTLSA-N 1 1 342.464 3.587 10 30 EHEEMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328684220 1022466741 /nfs/dbraw/zinc/46/67/41/1022466741.db2.gz DXIWAQYNYMFCJG-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328684220 1022466746 /nfs/dbraw/zinc/46/67/46/1022466746.db2.gz DXIWAQYNYMFCJG-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000330247635 1024370124 /nfs/dbraw/zinc/37/01/24/1024370124.db2.gz FSZVNQDHRDCPNR-KRWDZBQOSA-N 1 1 349.438 3.605 10 30 EHEEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329049110 1025580294 /nfs/dbraw/zinc/58/02/94/1025580294.db2.gz QRCYKYGPCSOGCR-GOPBEWJXSA-N 1 1 346.475 3.660 10 30 EHEEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329049110 1025580309 /nfs/dbraw/zinc/58/03/09/1025580309.db2.gz QRCYKYGPCSOGCR-GOPBEWJXSA-N 1 1 346.475 3.660 10 30 EHEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000329084331 1025592360 /nfs/dbraw/zinc/59/23/60/1025592360.db2.gz TWIOOKJGKHAVHZ-SOLBZPMBSA-N 1 1 346.471 3.746 10 30 EHEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000329084331 1025592367 /nfs/dbraw/zinc/59/23/67/1025592367.db2.gz TWIOOKJGKHAVHZ-SOLBZPMBSA-N 1 1 346.471 3.746 10 30 EHEEMO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(C#N)s3)n2)cc1 ZINC000183315659 1027557427 /nfs/dbraw/zinc/55/74/27/1027557427.db2.gz XOQJINPRXCJDMR-CYBMUJFWSA-N 1 1 338.436 3.665 10 30 EHEEMO CN(CC1CCCC1)C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329298402 1030332999 /nfs/dbraw/zinc/33/29/99/1030332999.db2.gz UJFXCBJJWQCTJC-OAHLLOKOSA-N 1 1 332.492 3.531 10 30 EHEEMO C=CC[C@@H](C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000188221334 1035920371 /nfs/dbraw/zinc/92/03/71/1035920371.db2.gz RYQYBNIZOYHQEE-HXUWFJFHSA-N 1 1 349.478 3.835 10 30 EHEEMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328694415 1022470758 /nfs/dbraw/zinc/47/07/58/1022470758.db2.gz JZHSOGORAYHBNI-AEFFLSMTSA-N 1 1 330.476 3.756 10 30 EHEEMO C=C[C@H](CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000135621514 1028208724 /nfs/dbraw/zinc/20/87/24/1028208724.db2.gz BSPOCJXWEUBIFG-GOSISDBHSA-N 1 1 349.478 3.835 10 30 EHEEMO C=CCNc1[nH+]cnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040709021 213373721 /nfs/dbraw/zinc/37/37/21/213373721.db2.gz HWXNIRWHGWXGNW-UHFFFAOYSA-N 1 1 331.423 3.858 10 30 EHEEMO C=CCNc1nc[nH+]c(NC(c2ccccc2)c2ccccc2)c1N ZINC000040709021 213373725 /nfs/dbraw/zinc/37/37/25/213373725.db2.gz HWXNIRWHGWXGNW-UHFFFAOYSA-N 1 1 331.423 3.858 10 30 EHEEMO Cc1cc(C)n(-c2ccc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)cn2)n1 ZINC000328778191 1020888215 /nfs/dbraw/zinc/88/82/15/1020888215.db2.gz LQJFMRFONWUTIY-OAHLLOKOSA-N 1 1 341.459 3.737 10 30 EHEEMO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[N@H+]1CCc2ccccc2C1 ZINC000328675623 1022460254 /nfs/dbraw/zinc/46/02/54/1022460254.db2.gz QYEYPLNWPPTTBS-QAPCUYQASA-N 1 1 343.471 3.679 10 30 EHEEMO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000328685631 1022465900 /nfs/dbraw/zinc/46/59/00/1022465900.db2.gz FSJQGLFSWCYRCC-GDBMZVCRSA-N 1 1 333.476 3.639 10 30 EHEEMO C=CCc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc(OC)c1O ZINC000092788643 1030522453 /nfs/dbraw/zinc/52/24/53/1030522453.db2.gz QWZHGOKITMHBCE-MRXNPFEDSA-N 1 1 344.480 3.965 10 30 EHEEMO N#Cc1ccc(C2(O)C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000071973786 203155572 /nfs/dbraw/zinc/15/55/72/203155572.db2.gz ZPHQDLXDZDXFCX-UHFFFAOYSA-N 1 1 340.426 3.851 10 30 EHEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000328786582 1022500641 /nfs/dbraw/zinc/50/06/41/1022500641.db2.gz KUORYOMLWQYPHE-QGZVFWFLSA-N 1 1 346.519 3.893 10 30 EHEEMO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCCCC#N ZINC000152477895 1026193729 /nfs/dbraw/zinc/19/37/29/1026193729.db2.gz QDRUQUCEIIWDSW-BBRMVZONSA-N 1 1 337.261 3.905 10 30 EHEEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000246285786 1028158589 /nfs/dbraw/zinc/15/85/89/1028158589.db2.gz OIYVNYXQACSGIA-QZTJIDSGSA-N 1 1 328.456 3.595 10 30 EHEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584380 1028170986 /nfs/dbraw/zinc/17/09/86/1028170986.db2.gz KNJSSDHYDBUYQC-LPHOPBHVSA-N 1 1 331.504 3.762 10 30 EHEEMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000155953764 1029710410 /nfs/dbraw/zinc/71/04/10/1029710410.db2.gz BHXMYXDGOAIDJT-MRXNPFEDSA-N 1 1 327.453 3.663 10 30 EHEEMO CN(c1ncccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000301333789 1128585623 /nfs/dbraw/zinc/58/56/23/1128585623.db2.gz MUXDUGXXOUVVGB-YOFSQIOKSA-N 1 1 332.451 3.585 10 30 EHEEMO C#Cc1ccc(CN2CCC[C@H]([N@@H+](CC)Cc3ccncc3)C2)cc1 ZINC000020918224 518359505 /nfs/dbraw/zinc/35/95/05/518359505.db2.gz BWLKYJPYDDNJTH-QFIPXVFZSA-N 1 1 333.479 3.549 10 30 EHEEMO C#Cc1ccc(C[N@H+]2CCC[C@H](N(CC)Cc3ccncc3)C2)cc1 ZINC000020918224 518359514 /nfs/dbraw/zinc/35/95/14/518359514.db2.gz BWLKYJPYDDNJTH-QFIPXVFZSA-N 1 1 333.479 3.549 10 30 EHEEMO C#Cc1ccc(C[N@@H+]2CCC[C@H](N(CC)Cc3ccncc3)C2)cc1 ZINC000020918224 518359518 /nfs/dbraw/zinc/35/95/18/518359518.db2.gz BWLKYJPYDDNJTH-QFIPXVFZSA-N 1 1 333.479 3.549 10 30 EHEEMO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329495945 1025923182 /nfs/dbraw/zinc/92/31/82/1025923182.db2.gz XERVMKQHNAOJBW-QRTARXTBSA-N 1 1 331.460 3.627 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249193808 1030797459 /nfs/dbraw/zinc/79/74/59/1030797459.db2.gz PNGXDUPFCFJTHG-RTWAWAEBSA-N 1 1 335.451 3.551 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249193808 1030797473 /nfs/dbraw/zinc/79/74/73/1030797473.db2.gz PNGXDUPFCFJTHG-RTWAWAEBSA-N 1 1 335.451 3.551 10 30 EHEEMO C=C[C@@H](CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000179445295 1031776930 /nfs/dbraw/zinc/77/69/30/1031776930.db2.gz YPHQYYIQXQXUPA-SFHVURJKSA-N 1 1 337.467 3.561 10 30 EHEEMO C=CC[N@H+](Cc1ccco1)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000055132002 518788155 /nfs/dbraw/zinc/78/81/55/518788155.db2.gz ZFYVRGLJKJYSOH-UHFFFAOYSA-N 1 1 334.419 3.729 10 30 EHEEMO C=CC[N@@H+](Cc1ccco1)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000055132002 518788159 /nfs/dbraw/zinc/78/81/59/518788159.db2.gz ZFYVRGLJKJYSOH-UHFFFAOYSA-N 1 1 334.419 3.729 10 30 EHEEMO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[N@@H+]1CCc2sccc2C1 ZINC000328686403 1022468856 /nfs/dbraw/zinc/46/88/56/1022468856.db2.gz YEPXYFDZVHOOOK-UKRRQHHQSA-N 1 1 349.500 3.740 10 30 EHEEMO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[N@H+]1CCc2sccc2C1 ZINC000328686403 1022468863 /nfs/dbraw/zinc/46/88/63/1022468863.db2.gz YEPXYFDZVHOOOK-UKRRQHHQSA-N 1 1 349.500 3.740 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1F ZINC000328715526 1022476937 /nfs/dbraw/zinc/47/69/37/1022476937.db2.gz SWYAOZFHYVSUEH-GOEBONIOSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)cc1F ZINC000328715526 1022476946 /nfs/dbraw/zinc/47/69/46/1022476946.db2.gz SWYAOZFHYVSUEH-GOEBONIOSA-N 1 1 330.407 3.644 10 30 EHEEMO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952458 1026623951 /nfs/dbraw/zinc/62/39/51/1026623951.db2.gz YAWVJAKQMBHUJV-QAPCUYQASA-N 1 1 338.455 3.599 10 30 EHEEMO C=C[C@H](CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000135036962 1028164222 /nfs/dbraw/zinc/16/42/22/1028164222.db2.gz IINUWBMBBZFGQU-GOSISDBHSA-N 1 1 349.478 3.835 10 30 EHEEMO C=C1[C@@H](O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4([C@@H]4OCC[N@H+]4C5)[C@@H]2C[C@@H]1CC3 ZINC000056871276 560083363 /nfs/dbraw/zinc/08/33/63/560083363.db2.gz KWVIBDAKHDJCNY-PTRUQLRHSA-N 1 1 343.511 3.578 10 30 biogenic,in-vitro EHEEMO N#Cc1ccccc1Cn1cccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000187119011 1014854012 /nfs/dbraw/zinc/85/40/12/1014854012.db2.gz KKUHNASBDFFKEB-UHFFFAOYSA-N 1 1 345.450 3.511 10 30 EHEEMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1C ZINC000328726658 1022487812 /nfs/dbraw/zinc/48/78/12/1022487812.db2.gz ZSSHZNIECDOWOM-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1C ZINC000328726658 1022487819 /nfs/dbraw/zinc/48/78/19/1022487819.db2.gz ZSSHZNIECDOWOM-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1C ZINC000328726661 1022487964 /nfs/dbraw/zinc/48/79/64/1022487964.db2.gz ZSSHZNIECDOWOM-SJORKVTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1C ZINC000328726661 1022487970 /nfs/dbraw/zinc/48/79/70/1022487970.db2.gz ZSSHZNIECDOWOM-SJORKVTESA-N 1 1 326.444 3.814 10 30 EHEEMO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(C#N)s3)n2)cc1 ZINC000183315638 1027557443 /nfs/dbraw/zinc/55/74/43/1027557443.db2.gz XOQJINPRXCJDMR-ZDUSSCGKSA-N 1 1 338.436 3.665 10 30 EHEEMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248892536 1037085526 /nfs/dbraw/zinc/08/55/26/1037085526.db2.gz SJXJDAFGLZPAHD-FUHWJXTLSA-N 1 1 343.496 3.827 10 30 EHEEMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328632892 1022451852 /nfs/dbraw/zinc/45/18/52/1022451852.db2.gz AQIBNCJBLXQEHD-XHSDSOJGSA-N 1 1 337.508 3.989 10 30 EHEEMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328774182 1022485644 /nfs/dbraw/zinc/48/56/44/1022485644.db2.gz KGGWCTMMGOJHMW-CVEARBPZSA-N 1 1 337.508 3.990 10 30 EHEEMO CCC1CCN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329271065 1025711888 /nfs/dbraw/zinc/71/18/88/1025711888.db2.gz JBUAMFCFJRLQSM-OAHLLOKOSA-N 1 1 332.492 3.531 10 30 EHEEMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127794039 1026502408 /nfs/dbraw/zinc/50/24/08/1026502408.db2.gz LRKMCJWDWAIVFK-UHFFFAOYSA-N 1 1 349.409 3.815 10 30 EHEEMO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584382 1028171510 /nfs/dbraw/zinc/17/15/10/1028171510.db2.gz KNJSSDHYDBUYQC-VQIMIIECSA-N 1 1 331.504 3.762 10 30 EHEEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328677868 1022464161 /nfs/dbraw/zinc/46/41/61/1022464161.db2.gz AUNMVWSKWJNLEQ-AEFFLSMTSA-N 1 1 326.444 3.814 10 30 EHEEMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121760545 1025762207 /nfs/dbraw/zinc/76/22/07/1025762207.db2.gz BHDNWEGHSDJSRC-FUHWJXTLSA-N 1 1 333.439 3.700 10 30 EHEEMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121760545 1025762220 /nfs/dbraw/zinc/76/22/20/1025762220.db2.gz BHDNWEGHSDJSRC-FUHWJXTLSA-N 1 1 333.439 3.700 10 30 EHEEMO C=CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245707318 1029082106 /nfs/dbraw/zinc/08/21/06/1029082106.db2.gz OMARUTDPTIXVDH-KBXCAEBGSA-N 1 1 338.854 3.944 10 30 EHEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2CC)C1 ZINC000329661174 1031652149 /nfs/dbraw/zinc/65/21/49/1031652149.db2.gz IPAJOYVNIYDCTO-BRWVUGGUSA-N 1 1 332.492 3.965 10 30 EHEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752286 1129579794 /nfs/dbraw/zinc/57/97/94/1129579794.db2.gz RVAKMBCEQOEPSG-GRVMKYMCSA-N 1 1 337.467 3.572 10 30 EHEEMO Cc1cc(C)n(-c2ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)cn2)n1 ZINC000328778190 1020888051 /nfs/dbraw/zinc/88/80/51/1020888051.db2.gz LQJFMRFONWUTIY-HNNXBMFYSA-N 1 1 341.459 3.737 10 30 EHEEMO C[C@H](C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328747205 1022478527 /nfs/dbraw/zinc/47/85/27/1022478527.db2.gz PZEMHIRCQOODQH-QXSJWSMHSA-N 1 1 346.519 3.713 10 30 EHEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000329180857 1025649561 /nfs/dbraw/zinc/64/95/61/1025649561.db2.gz OAEOUQXCBTYEPF-VELGLUOQSA-N 1 1 344.499 3.652 10 30 EHEEMO C[N@H+]1CC[C@@H](CNC(=O)c2coc3ccccc23)[C@@H]1c1cccnc1 ZINC000328640928 564137110 /nfs/dbraw/zinc/13/71/10/564137110.db2.gz XPYXIZCUCGAKII-KXBFYZLASA-N 1 1 335.407 3.825 10 30 EHEEMO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[N@H+]1CCc2ccccc2C1 ZINC000328675622 1022460224 /nfs/dbraw/zinc/46/02/24/1022460224.db2.gz QYEYPLNWPPTTBS-CRAIPNDOSA-N 1 1 343.471 3.679 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c(C)c1 ZINC000328688194 1022468707 /nfs/dbraw/zinc/46/87/07/1022468707.db2.gz HNMBFZZIXRADQT-IRXDYDNUSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c(C)c1 ZINC000328688194 1022468708 /nfs/dbraw/zinc/46/87/08/1022468708.db2.gz HNMBFZZIXRADQT-IRXDYDNUSA-N 1 1 326.444 3.814 10 30 EHEEMO CCCCCCCCCC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000124309049 1038168927 /nfs/dbraw/zinc/16/89/27/1038168927.db2.gz KUIQJIWCNOGZQY-GOSISDBHSA-N 1 1 338.536 3.839 10 30 EHEEMO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1ccc(C(C)=O)cn1 ZINC000067434491 215145857 /nfs/dbraw/zinc/14/58/57/215145857.db2.gz CRLSDSAXICOWOP-LJQANCHMSA-N 1 1 339.439 3.525 10 30 EHEEMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(C(C)=O)cn1 ZINC000067434491 215145861 /nfs/dbraw/zinc/14/58/61/215145861.db2.gz CRLSDSAXICOWOP-LJQANCHMSA-N 1 1 339.439 3.525 10 30 EHEEMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328774183 1022485628 /nfs/dbraw/zinc/48/56/28/1022485628.db2.gz KGGWCTMMGOJHMW-HZPDHXFCSA-N 1 1 337.508 3.990 10 30 EHEEMO CC[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000330266006 1024377253 /nfs/dbraw/zinc/37/72/53/1024377253.db2.gz HJJQUXYFZVMGPW-OXQOHEQNSA-N 1 1 346.471 3.986 10 30 EHEEMO CC[C@@H]1CC[N@H+]1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000330266006 1024377270 /nfs/dbraw/zinc/37/72/70/1024377270.db2.gz HJJQUXYFZVMGPW-OXQOHEQNSA-N 1 1 346.471 3.986 10 30 EHEEMO Cc1cc(C(C)C)nc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000187728263 1025746529 /nfs/dbraw/zinc/74/65/29/1025746529.db2.gz UEYBYULUSRNHGG-KRWDZBQOSA-N 1 1 349.482 3.663 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@@]12c1ccccc1NC2=O ZINC000329606815 1026065509 /nfs/dbraw/zinc/06/55/09/1026065509.db2.gz IDFAUDDHNBYAAN-ZEVBXJOLSA-N 1 1 329.403 3.537 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@@]12c1ccccc1NC2=O ZINC000329606815 1026065518 /nfs/dbraw/zinc/06/55/18/1026065518.db2.gz IDFAUDDHNBYAAN-ZEVBXJOLSA-N 1 1 329.403 3.537 10 30 EHEEMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952569 1026620364 /nfs/dbraw/zinc/62/03/64/1026620364.db2.gz YAWVJAKQMBHUJV-CRAIPNDOSA-N 1 1 338.455 3.599 10 30 EHEEMO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584381 1028172157 /nfs/dbraw/zinc/17/21/57/1028172157.db2.gz KNJSSDHYDBUYQC-QFBILLFUSA-N 1 1 331.504 3.762 10 30 EHEEMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(Cl)cn1 ZINC000072440634 564063862 /nfs/dbraw/zinc/06/38/62/564063862.db2.gz RLJDQVVJEAGUMG-QGZVFWFLSA-N 1 1 331.847 3.976 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000189742081 1016707156 /nfs/dbraw/zinc/70/71/56/1016707156.db2.gz PNGXDUPFCFJTHG-SFTDATJTSA-N 1 1 335.451 3.551 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000189742081 1016707174 /nfs/dbraw/zinc/70/71/74/1016707174.db2.gz PNGXDUPFCFJTHG-SFTDATJTSA-N 1 1 335.451 3.551 10 30 EHEEMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329183831 1025650726 /nfs/dbraw/zinc/65/07/26/1025650726.db2.gz PNZXLXHDSAFISQ-CZUORRHYSA-N 1 1 327.428 3.735 10 30 EHEEMO C=C[C@@H](CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000135621540 1028208799 /nfs/dbraw/zinc/20/87/99/1028208799.db2.gz BSPOCJXWEUBIFG-SFHVURJKSA-N 1 1 349.478 3.835 10 30 EHEEMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1F ZINC000328634528 564137076 /nfs/dbraw/zinc/13/70/76/564137076.db2.gz UCMUZISDXWWHOI-YJBOKZPZSA-N 1 1 327.403 3.527 10 30 EHEEMO C=C(C)CC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685959273 564177076 /nfs/dbraw/zinc/17/70/76/564177076.db2.gz QCVZKTVPCFBCAU-KRWDZBQOSA-N 1 1 346.471 3.547 10 30 EHEEMO C=C(C)CC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685959273 564177077 /nfs/dbraw/zinc/17/70/77/564177077.db2.gz QCVZKTVPCFBCAU-KRWDZBQOSA-N 1 1 346.471 3.547 10 30 EHEEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)c1 ZINC000329188155 1025650594 /nfs/dbraw/zinc/65/05/94/1025650594.db2.gz QZKZZWVVGAMROP-FUHWJXTLSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)C2)c1 ZINC000329188155 1025650600 /nfs/dbraw/zinc/65/06/00/1025650600.db2.gz QZKZZWVVGAMROP-FUHWJXTLSA-N 1 1 326.444 3.814 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@]12c1ccccc1NC2=O ZINC000329606809 1026067193 /nfs/dbraw/zinc/06/71/93/1026067193.db2.gz IDFAUDDHNBYAAN-NNNWTRQLSA-N 1 1 329.403 3.537 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@]12c1ccccc1NC2=O ZINC000329606809 1026067214 /nfs/dbraw/zinc/06/72/14/1026067214.db2.gz IDFAUDDHNBYAAN-NNNWTRQLSA-N 1 1 329.403 3.537 10 30 EHEEMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952338 1026624420 /nfs/dbraw/zinc/62/44/20/1026624420.db2.gz YAWVJAKQMBHUJV-MAUKXSAKSA-N 1 1 338.455 3.599 10 30 EHEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000180148695 1035845517 /nfs/dbraw/zinc/84/55/17/1035845517.db2.gz PWICMMZUTCICLE-ZDUSSCGKSA-N 1 1 328.437 3.626 10 30 EHEEMO N#CC1(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)CCC1 ZINC000333716437 1138324396 /nfs/dbraw/zinc/32/43/96/1138324396.db2.gz QPHVBTBHAOCQBG-MRXNPFEDSA-N 1 1 327.476 3.726 10 30 EHEEMO N#CC1(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000333716437 1138324403 /nfs/dbraw/zinc/32/44/03/1138324403.db2.gz QPHVBTBHAOCQBG-MRXNPFEDSA-N 1 1 327.476 3.726 10 30 EHEEMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1 ZINC000328632145 564137083 /nfs/dbraw/zinc/13/70/83/564137083.db2.gz RQLCWKWMFVRKFH-HKUYNNGSSA-N 1 1 334.423 3.561 10 30 EHEEMO C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000328966861 1022555860 /nfs/dbraw/zinc/55/58/60/1022555860.db2.gz NDGDFVYCFXBMPO-LMMKCTJWSA-N 1 1 349.434 3.816 10 30 EHEEMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329045214 1025579906 /nfs/dbraw/zinc/57/99/06/1025579906.db2.gz PPTRSMLTSYNHJE-CZUORRHYSA-N 1 1 346.475 3.662 10 30 EHEEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329045214 1025579919 /nfs/dbraw/zinc/57/99/19/1025579919.db2.gz PPTRSMLTSYNHJE-CZUORRHYSA-N 1 1 346.475 3.662 10 30 EHEEMO N#CCSCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000174159626 1031171567 /nfs/dbraw/zinc/17/15/67/1031171567.db2.gz DXYFDCSZLZQPRM-QGZVFWFLSA-N 1 1 340.496 3.903 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329055107 1025581638 /nfs/dbraw/zinc/58/16/38/1025581638.db2.gz SHCUMFIOHYHDHL-DGCLKSJQSA-N 1 1 344.390 3.552 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329055107 1025581653 /nfs/dbraw/zinc/58/16/53/1025581653.db2.gz SHCUMFIOHYHDHL-DGCLKSJQSA-N 1 1 344.390 3.552 10 30 EHEEMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121760707 1025762163 /nfs/dbraw/zinc/76/21/63/1025762163.db2.gz BHDNWEGHSDJSRC-WMZOPIPTSA-N 1 1 333.439 3.700 10 30 EHEEMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121760707 1025762173 /nfs/dbraw/zinc/76/21/73/1025762173.db2.gz BHDNWEGHSDJSRC-WMZOPIPTSA-N 1 1 333.439 3.700 10 30 EHEEMO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000329484355 1025911066 /nfs/dbraw/zinc/91/10/66/1025911066.db2.gz FOIBHSMKNOYQLW-JENIJYKNSA-N 1 1 331.460 3.523 10 30 EHEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000333559365 1027304027 /nfs/dbraw/zinc/30/40/27/1027304027.db2.gz GUKPJCBRPNXIMO-IRFCIJBXSA-N 1 1 339.483 3.706 10 30 EHEEMO [NH2+]=C(NOC(=O)c1cc(Cl)cnc1Cl)c1ccc(Cl)cc1 ZINC000004280820 210160587 /nfs/dbraw/zinc/16/05/87/210160587.db2.gz FUUAKVVJBFMRCW-UHFFFAOYSA-N 1 1 344.585 3.519 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000189749076 1016706267 /nfs/dbraw/zinc/70/62/67/1016706267.db2.gz NITWLGWDOCJOQW-LJQANCHMSA-N 1 1 345.450 3.511 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000189742102 1016707663 /nfs/dbraw/zinc/70/76/63/1016707663.db2.gz PNGXDUPFCFJTHG-LEWJYISDSA-N 1 1 335.451 3.551 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000189742102 1016707674 /nfs/dbraw/zinc/70/76/74/1016707674.db2.gz PNGXDUPFCFJTHG-LEWJYISDSA-N 1 1 335.451 3.551 10 30 EHEEMO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000328615514 1022448986 /nfs/dbraw/zinc/44/89/86/1022448986.db2.gz RUEJGPOIRBQVPS-QKYXUNIQSA-N 1 1 338.455 3.730 10 30 EHEEMO CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000328743138 1022478858 /nfs/dbraw/zinc/47/88/58/1022478858.db2.gz NFBNUOSUGZGDBD-WBVHZDCISA-N 1 1 329.444 3.678 10 30 EHEEMO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000328932862 1022664117 /nfs/dbraw/zinc/66/41/17/1022664117.db2.gz DRKZRKNWOBPXRS-SFHVURJKSA-N 1 1 338.455 3.593 10 30 EHEEMO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000328932862 1022664125 /nfs/dbraw/zinc/66/41/25/1022664125.db2.gz DRKZRKNWOBPXRS-SFHVURJKSA-N 1 1 338.455 3.593 10 30 EHEEMO CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330285912 1024385347 /nfs/dbraw/zinc/38/53/47/1024385347.db2.gz ZKNAGXRKUCBGPI-KZUMUSTHSA-N 1 1 333.476 3.699 10 30 EHEEMO CC[C@@H]1CC[N@@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000330284767 1024385397 /nfs/dbraw/zinc/38/53/97/1024385397.db2.gz XZAIYHBSRQWEPX-MRXNPFEDSA-N 1 1 344.455 3.668 10 30 EHEEMO CC[C@@H]1CC[N@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000330284767 1024385414 /nfs/dbraw/zinc/38/54/14/1024385414.db2.gz XZAIYHBSRQWEPX-MRXNPFEDSA-N 1 1 344.455 3.668 10 30 EHEEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000245702447 1029050179 /nfs/dbraw/zinc/05/01/79/1029050179.db2.gz BPURCWSEIPWRFE-ZWKOTPCHSA-N 1 1 328.456 3.595 10 30 EHEEMO C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(CN2CCCCC2)cn1 ZINC000072479923 216260702 /nfs/dbraw/zinc/26/07/02/216260702.db2.gz NLKKBAVDOMRBKK-FQEVSTJZSA-N 1 1 343.515 3.877 10 30 EHEEMO C=CC[NH+]1CCN(c2nc3ccccc3c(OCCCCC)n2)CC1 ZINC000001889512 518868339 /nfs/dbraw/zinc/86/83/39/518868339.db2.gz SILQTPIQCRBVFV-UHFFFAOYSA-N 1 1 340.471 3.507 10 30 EHEEMO Cc1cscc1NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328625911 564137016 /nfs/dbraw/zinc/13/70/16/564137016.db2.gz LCRSKKVNJXSFGG-RDJZCZTQSA-N 1 1 344.484 3.622 10 30 EHEEMO Cc1nccc(NC(=O)[C@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000329319104 1030399019 /nfs/dbraw/zinc/39/90/19/1030399019.db2.gz FWYQQIBDZVBLQF-XLIONFOSSA-N 1 1 336.439 3.675 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328696090 1022470232 /nfs/dbraw/zinc/47/02/32/1022470232.db2.gz KSLHFHXLPYSUNN-SJORKVTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328696090 1022470243 /nfs/dbraw/zinc/47/02/43/1022470243.db2.gz KSLHFHXLPYSUNN-SJORKVTESA-N 1 1 326.444 3.814 10 30 EHEEMO CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000328743137 1022479045 /nfs/dbraw/zinc/47/90/45/1022479045.db2.gz NFBNUOSUGZGDBD-RDJZCZTQSA-N 1 1 329.444 3.678 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328726476 1022488537 /nfs/dbraw/zinc/48/85/37/1022488537.db2.gz ZQOLYIAFTLNYSN-CJNGLKHVSA-N 1 1 332.835 3.850 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328726476 1022488544 /nfs/dbraw/zinc/48/85/44/1022488544.db2.gz ZQOLYIAFTLNYSN-CJNGLKHVSA-N 1 1 332.835 3.850 10 30 EHEEMO O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434525 1025846010 /nfs/dbraw/zinc/84/60/10/1025846010.db2.gz JFVAQUDFQFPJRQ-GDBMZVCRSA-N 1 1 344.459 3.569 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@]12c1ccccc1NC2=O ZINC000329606805 1026065425 /nfs/dbraw/zinc/06/54/25/1026065425.db2.gz IDFAUDDHNBYAAN-HQEOYTPBSA-N 1 1 329.403 3.537 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@]12c1ccccc1NC2=O ZINC000329606805 1026065436 /nfs/dbraw/zinc/06/54/36/1026065436.db2.gz IDFAUDDHNBYAAN-HQEOYTPBSA-N 1 1 329.403 3.537 10 30 EHEEMO C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329298325 1030319104 /nfs/dbraw/zinc/31/91/04/1030319104.db2.gz UGNAZWSXAHFJHG-CABCVRRESA-N 1 1 332.492 3.531 10 30 EHEEMO CCCCCCCCCC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000124309274 1038168372 /nfs/dbraw/zinc/16/83/72/1038168372.db2.gz KUIQJIWCNOGZQY-SFHVURJKSA-N 1 1 338.536 3.839 10 30 EHEEMO CSc1nc2c(c(-c3ccccc3Cl)c1C#N)C[N@@H+](C)CC2 ZINC000040570040 213352061 /nfs/dbraw/zinc/35/20/61/213352061.db2.gz FRQDBMFCOLPUNC-UHFFFAOYSA-N 1 1 329.856 3.983 10 30 EHEEMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccccc3F)CC2)c(C)c1 ZINC000019791083 212067605 /nfs/dbraw/zinc/06/76/05/212067605.db2.gz KPTDKZBLPIBXFQ-HMAPJEAMSA-N 1 1 325.431 3.594 10 30 EHEEMO N#CC1(c2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000038208298 132396668 /nfs/dbraw/zinc/39/66/68/132396668.db2.gz GSCDSWQGFDVKHH-UHFFFAOYSA-N 1 1 337.814 3.673 10 30 EHEEMO CCc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328635167 564137124 /nfs/dbraw/zinc/13/71/24/564137124.db2.gz UPQJXDQELXBNFY-HOTGVXAUSA-N 1 1 329.469 3.703 10 30 EHEEMO C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000328672205 1022459588 /nfs/dbraw/zinc/45/95/88/1022459588.db2.gz OAWZYCRXBUEGPE-XHSDSOJGSA-N 1 1 335.492 3.885 10 30 EHEEMO Cc1cc(C#N)cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000588001142 1035665616 /nfs/dbraw/zinc/66/56/16/1035665616.db2.gz WHFQJIQXXDNHAI-SFTDATJTSA-N 1 1 346.478 3.753 10 30 EHEEMO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC000275638953 564009730 /nfs/dbraw/zinc/00/97/30/564009730.db2.gz KBUDOLBNEMKLKO-KRWDZBQOSA-N 1 1 338.480 3.506 10 30 EHEEMO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC000275638953 564009731 /nfs/dbraw/zinc/00/97/31/564009731.db2.gz KBUDOLBNEMKLKO-KRWDZBQOSA-N 1 1 338.480 3.506 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000328681646 1022466726 /nfs/dbraw/zinc/46/67/26/1022466726.db2.gz CPHCNUTWSJBNOT-GJZGRUSLSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000328681646 1022466729 /nfs/dbraw/zinc/46/67/29/1022466729.db2.gz CPHCNUTWSJBNOT-GJZGRUSLSA-N 1 1 330.407 3.644 10 30 EHEEMO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952242 1026623936 /nfs/dbraw/zinc/62/39/36/1026623936.db2.gz YAWVJAKQMBHUJV-YJBOKZPZSA-N 1 1 338.455 3.599 10 30 EHEEMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000189887989 1016754368 /nfs/dbraw/zinc/75/43/68/1016754368.db2.gz ZQEYJWIXVXYELN-HNNXBMFYSA-N 1 1 339.464 3.529 10 30 EHEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000189887989 1016754377 /nfs/dbraw/zinc/75/43/77/1016754377.db2.gz ZQEYJWIXVXYELN-HNNXBMFYSA-N 1 1 339.464 3.529 10 30 EHEEMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328677871 1022464353 /nfs/dbraw/zinc/46/43/53/1022464353.db2.gz AUNMVWSKWJNLEQ-WMZOPIPTSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329068943 1025587966 /nfs/dbraw/zinc/58/79/66/1025587966.db2.gz XWZGGIMFPGLVTN-DZGCQCFKSA-N 1 1 340.427 3.721 10 30 EHEEMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329068943 1025587974 /nfs/dbraw/zinc/58/79/74/1025587974.db2.gz XWZGGIMFPGLVTN-DZGCQCFKSA-N 1 1 340.427 3.721 10 30 EHEEMO Cc1cc(C(C)C)nc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000186870057 1025650926 /nfs/dbraw/zinc/65/09/26/1025650926.db2.gz RXDVOIJAMNBALV-QGZVFWFLSA-N 1 1 349.482 3.663 10 30 EHEEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000329518336 1025944222 /nfs/dbraw/zinc/94/42/22/1025944222.db2.gz ZHXZPGHNGNAILW-CZUORRHYSA-N 1 1 347.484 3.970 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@]12c1ccccc1NC2=O ZINC000329606812 1026067459 /nfs/dbraw/zinc/06/74/59/1026067459.db2.gz IDFAUDDHNBYAAN-NVEXJGOOSA-N 1 1 329.403 3.537 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@]12c1ccccc1NC2=O ZINC000329606812 1026067473 /nfs/dbraw/zinc/06/74/73/1026067473.db2.gz IDFAUDDHNBYAAN-NVEXJGOOSA-N 1 1 329.403 3.537 10 30 EHEEMO C=CC[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000187027478 1035741775 /nfs/dbraw/zinc/74/17/75/1035741775.db2.gz JMJZMHOKHUGION-LJQANCHMSA-N 1 1 337.467 3.561 10 30 EHEEMO CCN(CC)c1ccc(/C=[NH+]\NC(=S)NC2CCCCC2)cc1 ZINC000038204385 213205482 /nfs/dbraw/zinc/20/54/82/213205482.db2.gz OHANDFDMRNPTOB-RGEXLXHISA-N 1 1 332.517 3.664 10 30 EHEEMO C=CCC[C@H](C[NH+]1CCCC1)Oc1ccc(CN2CCCCC2)cn1 ZINC000072479924 216260351 /nfs/dbraw/zinc/26/03/51/216260351.db2.gz NLKKBAVDOMRBKK-HXUWFJFHSA-N 1 1 343.515 3.877 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329055109 1025581838 /nfs/dbraw/zinc/58/18/38/1025581838.db2.gz SHCUMFIOHYHDHL-YPMHNXCESA-N 1 1 344.390 3.552 10 30 EHEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329055109 1025581850 /nfs/dbraw/zinc/58/18/50/1025581850.db2.gz SHCUMFIOHYHDHL-YPMHNXCESA-N 1 1 344.390 3.552 10 30 EHEEMO Cc1ccc([C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)o1 ZINC000093864968 1030686905 /nfs/dbraw/zinc/68/69/05/1030686905.db2.gz MRNPHYQPAYMWGS-HXUWFJFHSA-N 1 1 339.439 3.511 10 30 EHEEMO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)o1 ZINC000093864968 1030686918 /nfs/dbraw/zinc/68/69/18/1030686918.db2.gz MRNPHYQPAYMWGS-HXUWFJFHSA-N 1 1 339.439 3.511 10 30 EHEEMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000180721171 1031904467 /nfs/dbraw/zinc/90/44/67/1031904467.db2.gz BPURCWSEIPWRFE-ROUUACIJSA-N 1 1 328.456 3.595 10 30 EHEEMO Cc1cc(C#N)cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000588001140 1035665762 /nfs/dbraw/zinc/66/57/62/1035665762.db2.gz WHFQJIQXXDNHAI-NHCUHLMSSA-N 1 1 346.478 3.753 10 30 EHEEMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000328642836 523957060 /nfs/dbraw/zinc/95/70/60/523957060.db2.gz YNRQFRBIAAYZTL-LPHOPBHVSA-N 1 1 335.407 3.825 10 30 EHEEMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000247010491 1016284009 /nfs/dbraw/zinc/28/40/09/1016284009.db2.gz LMZSWMZLWDGCLP-SJLPKXTDSA-N 1 1 342.464 3.587 10 30 EHEEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328677870 1022464221 /nfs/dbraw/zinc/46/42/21/1022464221.db2.gz AUNMVWSKWJNLEQ-SJLPKXTDSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328696088 1022470330 /nfs/dbraw/zinc/47/03/30/1022470330.db2.gz KSLHFHXLPYSUNN-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328696088 1022470337 /nfs/dbraw/zinc/47/03/37/1022470337.db2.gz KSLHFHXLPYSUNN-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328696089 1022470855 /nfs/dbraw/zinc/47/08/55/1022470855.db2.gz KSLHFHXLPYSUNN-IRXDYDNUSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000328696089 1022470861 /nfs/dbraw/zinc/47/08/61/1022470861.db2.gz KSLHFHXLPYSUNN-IRXDYDNUSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1F ZINC000328715525 1022476435 /nfs/dbraw/zinc/47/64/35/1022476435.db2.gz SWYAOZFHYVSUEH-GDBMZVCRSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)cc1F ZINC000328715525 1022476446 /nfs/dbraw/zinc/47/64/46/1022476446.db2.gz SWYAOZFHYVSUEH-GDBMZVCRSA-N 1 1 330.407 3.644 10 30 EHEEMO C=C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000248041791 1028844296 /nfs/dbraw/zinc/84/42/96/1028844296.db2.gz MCDINGORCSDRCD-SXLOBPIMSA-N 1 1 326.484 3.820 10 30 EHEEMO C=CCCCCCN(C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000154351077 1029116020 /nfs/dbraw/zinc/11/60/20/1029116020.db2.gz DAOQHVLOWKFNDR-UHFFFAOYSA-N 1 1 344.503 3.747 10 30 EHEEMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000252692400 1029226677 /nfs/dbraw/zinc/22/66/77/1029226677.db2.gz BHDNWEGHSDJSRC-AEFFLSMTSA-N 1 1 333.439 3.700 10 30 EHEEMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000252692400 1029226688 /nfs/dbraw/zinc/22/66/88/1029226688.db2.gz BHDNWEGHSDJSRC-AEFFLSMTSA-N 1 1 333.439 3.700 10 30 EHEEMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000155953656 1029709899 /nfs/dbraw/zinc/70/98/99/1029709899.db2.gz BHXMYXDGOAIDJT-INIZCTEOSA-N 1 1 327.453 3.663 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000328681653 1022465868 /nfs/dbraw/zinc/46/58/68/1022465868.db2.gz CPHCNUTWSJBNOT-LSDHHAIUSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000328681653 1022465877 /nfs/dbraw/zinc/46/58/77/1022465877.db2.gz CPHCNUTWSJBNOT-LSDHHAIUSA-N 1 1 330.407 3.644 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329055108 1025581272 /nfs/dbraw/zinc/58/12/72/1025581272.db2.gz SHCUMFIOHYHDHL-WCQYABFASA-N 1 1 344.390 3.552 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329055108 1025581283 /nfs/dbraw/zinc/58/12/83/1025581283.db2.gz SHCUMFIOHYHDHL-WCQYABFASA-N 1 1 344.390 3.552 10 30 EHEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000329180855 1025648857 /nfs/dbraw/zinc/64/88/57/1025648857.db2.gz OAEOUQXCBTYEPF-RBAQFSTRSA-N 1 1 344.499 3.652 10 30 EHEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000333559367 1027303581 /nfs/dbraw/zinc/30/35/81/1027303581.db2.gz GUKPJCBRPNXIMO-ZJOUEHCJSA-N 1 1 339.483 3.706 10 30 EHEEMO CN(CC1CCCC1)C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329298401 1030333373 /nfs/dbraw/zinc/33/33/73/1030333373.db2.gz UJFXCBJJWQCTJC-HNNXBMFYSA-N 1 1 332.492 3.531 10 30 EHEEMO CCSc1nc2c(c(-c3cccc(OC)c3)c1C#N)C[N@@H+](C)CC2 ZINC000040569963 213352786 /nfs/dbraw/zinc/35/27/86/213352786.db2.gz BUSUOHDWCZTINI-UHFFFAOYSA-N 1 1 339.464 3.729 10 30 EHEEMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000036095744 564096016 /nfs/dbraw/zinc/09/60/16/564096016.db2.gz IGVXQDFUFCCSAD-KRWDZBQOSA-N 1 1 345.439 3.626 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328696087 1022470172 /nfs/dbraw/zinc/47/01/72/1022470172.db2.gz KSLHFHXLPYSUNN-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328696087 1022470184 /nfs/dbraw/zinc/47/01/84/1022470184.db2.gz KSLHFHXLPYSUNN-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328786334 1022499980 /nfs/dbraw/zinc/49/99/80/1022499980.db2.gz OOPZARJPLWLAHI-XHSDSOJGSA-N 1 1 337.508 3.846 10 30 EHEEMO O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329497554 1025926551 /nfs/dbraw/zinc/92/65/51/1025926551.db2.gz XOFIFCKBZCJDCL-JQHSSLGASA-N 1 1 345.487 3.753 10 30 EHEEMO C=CCCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245707321 1029081716 /nfs/dbraw/zinc/08/17/16/1029081716.db2.gz OMARUTDPTIXVDH-RDTXWAMCSA-N 1 1 338.854 3.944 10 30 EHEEMO Cc1cnc([C@@H](C)NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC000329273977 1030214059 /nfs/dbraw/zinc/21/40/59/1030214059.db2.gz JDXOICSECDOCMO-MRXNPFEDSA-N 1 1 348.491 3.546 10 30 EHEEMO Cc1cnc([C@H](C)NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC000329273976 1030215268 /nfs/dbraw/zinc/21/52/68/1030215268.db2.gz JDXOICSECDOCMO-INIZCTEOSA-N 1 1 348.491 3.546 10 30 EHEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](C)c2csc(C)n2)C1 ZINC000329661493 1031650852 /nfs/dbraw/zinc/65/08/52/1031650852.db2.gz IRLGREKYWIKKGT-GXTWGEPZSA-N 1 1 347.488 3.523 10 30 EHEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752287 1129579673 /nfs/dbraw/zinc/57/96/73/1129579673.db2.gz RVAKMBCEQOEPSG-UCKNYWNBSA-N 1 1 337.467 3.572 10 30 EHEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329067401 1025584926 /nfs/dbraw/zinc/58/49/26/1025584926.db2.gz WZDNCEWTRBPDBU-VRKREXBASA-N 1 1 346.475 3.660 10 30 EHEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329067401 1025584933 /nfs/dbraw/zinc/58/49/33/1025584933.db2.gz WZDNCEWTRBPDBU-VRKREXBASA-N 1 1 346.475 3.660 10 30 EHEEMO CC1(C)CN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1c1cccs1 ZINC000329339809 1025763412 /nfs/dbraw/zinc/76/34/12/1025763412.db2.gz REQJFFCASARUKA-XJKSGUPXSA-N 1 1 344.484 3.504 10 30 EHEEMO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1c1cccs1 ZINC000329339809 1025763427 /nfs/dbraw/zinc/76/34/27/1025763427.db2.gz REQJFFCASARUKA-XJKSGUPXSA-N 1 1 344.484 3.504 10 30 EHEEMO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000333559366 1027302493 /nfs/dbraw/zinc/30/24/93/1027302493.db2.gz GUKPJCBRPNXIMO-QKNQBKEWSA-N 1 1 339.483 3.706 10 30 EHEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000245553207 1028821606 /nfs/dbraw/zinc/82/16/06/1028821606.db2.gz FEVAMHIJHMWVPX-GOEBONIOSA-N 1 1 327.453 3.814 10 30 EHEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCC2CCCCC2)C1 ZINC000329687377 1031799768 /nfs/dbraw/zinc/79/97/68/1031799768.db2.gz VESXSKFDHVUHIG-QGZVFWFLSA-N 1 1 332.492 3.967 10 30 EHEEMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195340192 1123369523 /nfs/dbraw/zinc/36/95/23/1123369523.db2.gz GYUSKNSINURSBK-INIZCTEOSA-N 1 1 327.453 3.663 10 30 EHEEMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(Cl)cn1 ZINC000072440636 564063844 /nfs/dbraw/zinc/06/38/44/564063844.db2.gz RLJDQVVJEAGUMG-KRWDZBQOSA-N 1 1 331.847 3.976 10 30 EHEEMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc(C#N)s2)C3)n1 ZINC000276104204 564136477 /nfs/dbraw/zinc/13/64/77/564136477.db2.gz JKIMJLUPYPPKGN-FZKQIMNGSA-N 1 1 342.468 3.680 10 30 EHEEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330132342 1018001617 /nfs/dbraw/zinc/00/16/17/1018001617.db2.gz LJKVVPMGGGMWJC-PXGGHBFRSA-N 1 1 346.515 3.539 10 30 EHEEMO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)c12 ZINC000328662613 1022458770 /nfs/dbraw/zinc/45/87/70/1022458770.db2.gz XKOJFBGSOYDLLC-CQSZACIVSA-N 1 1 344.459 3.527 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328703736 1022472975 /nfs/dbraw/zinc/47/29/75/1022472975.db2.gz OIWXLTMXPCVTCD-GOEBONIOSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328703736 1022472982 /nfs/dbraw/zinc/47/29/82/1022472982.db2.gz OIWXLTMXPCVTCD-GOEBONIOSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)o1 ZINC000093864967 1030687836 /nfs/dbraw/zinc/68/78/36/1030687836.db2.gz MRNPHYQPAYMWGS-FQEVSTJZSA-N 1 1 339.439 3.511 10 30 EHEEMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)o1 ZINC000093864967 1030687840 /nfs/dbraw/zinc/68/78/40/1030687840.db2.gz MRNPHYQPAYMWGS-FQEVSTJZSA-N 1 1 339.439 3.511 10 30 EHEEMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccs1 ZINC000328628361 564137031 /nfs/dbraw/zinc/13/70/31/564137031.db2.gz NRDBHWLKTGMXHV-KMFMINBZSA-N 1 1 329.469 3.896 10 30 EHEEMO C=CCCC(=O)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961965 564177240 /nfs/dbraw/zinc/17/72/40/564177240.db2.gz QLJKPVBAGNZSSC-QGZVFWFLSA-N 1 1 346.471 3.547 10 30 EHEEMO C=CCCC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961965 564177241 /nfs/dbraw/zinc/17/72/41/564177241.db2.gz QLJKPVBAGNZSSC-QGZVFWFLSA-N 1 1 346.471 3.547 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328703735 1022473001 /nfs/dbraw/zinc/47/30/01/1022473001.db2.gz OIWXLTMXPCVTCD-GDBMZVCRSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328703735 1022473006 /nfs/dbraw/zinc/47/30/06/1022473006.db2.gz OIWXLTMXPCVTCD-GDBMZVCRSA-N 1 1 330.407 3.644 10 30 EHEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000329059949 1025582701 /nfs/dbraw/zinc/58/27/01/1025582701.db2.gz JFGQYCJFSFJSCI-CZUORRHYSA-N 1 1 345.443 3.644 10 30 EHEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000329059949 1025582709 /nfs/dbraw/zinc/58/27/09/1025582709.db2.gz JFGQYCJFSFJSCI-CZUORRHYSA-N 1 1 345.443 3.644 10 30 EHEEMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641687 1027734841 /nfs/dbraw/zinc/73/48/41/1027734841.db2.gz BGTAXMGEYBUEHN-XIKOKIGWSA-N 1 1 340.427 3.933 10 30 EHEEMO N#CCSCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000174159636 1031172025 /nfs/dbraw/zinc/17/20/25/1031172025.db2.gz DXYFDCSZLZQPRM-KRWDZBQOSA-N 1 1 340.496 3.903 10 30 EHEEMO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000328685632 1022466811 /nfs/dbraw/zinc/46/68/11/1022466811.db2.gz FSJQGLFSWCYRCC-GOEBONIOSA-N 1 1 333.476 3.639 10 30 EHEEMO O=C(N[C@@H]1CCCNC1=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434526 1025846594 /nfs/dbraw/zinc/84/65/94/1025846594.db2.gz JFVAQUDFQFPJRQ-GOEBONIOSA-N 1 1 344.459 3.569 10 30 EHEEMO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000329486348 1030903710 /nfs/dbraw/zinc/90/37/10/1030903710.db2.gz SZKWUHOHOCDKMH-HOCLYGCPSA-N 1 1 332.444 3.740 10 30 EHEEMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248892539 1037087712 /nfs/dbraw/zinc/08/77/12/1037087712.db2.gz SJXJDAFGLZPAHD-SJLPKXTDSA-N 1 1 343.496 3.827 10 30 EHEEMO Cc1nc([C@@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)cs1 ZINC000189822676 1140366632 /nfs/dbraw/zinc/36/66/32/1140366632.db2.gz SWHYUCWPMHOWFU-SFHVURJKSA-N 1 1 327.453 3.929 10 30 EHEEMO Cc1nc([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)cs1 ZINC000189822676 1140366638 /nfs/dbraw/zinc/36/66/38/1140366638.db2.gz SWHYUCWPMHOWFU-SFHVURJKSA-N 1 1 327.453 3.929 10 30 EHEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cc(CC)ncn1 ZINC000072476778 564063865 /nfs/dbraw/zinc/06/38/65/564063865.db2.gz ANQUIYXBILMOHE-SCTDSRPQSA-N 1 1 327.472 3.651 10 30 EHEEMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccs1 ZINC000328628362 564137057 /nfs/dbraw/zinc/13/70/57/564137057.db2.gz NRDBHWLKTGMXHV-QRTARXTBSA-N 1 1 329.469 3.896 10 30 EHEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)[C@H]1C ZINC000329035742 1025577050 /nfs/dbraw/zinc/57/70/50/1025577050.db2.gz MUPDKRFEQWSWTM-VRKREXBASA-N 1 1 346.475 3.518 10 30 EHEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)[C@H]1C ZINC000329035742 1025577061 /nfs/dbraw/zinc/57/70/61/1025577061.db2.gz MUPDKRFEQWSWTM-VRKREXBASA-N 1 1 346.475 3.518 10 30 EHEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000329084330 1025593493 /nfs/dbraw/zinc/59/34/93/1025593493.db2.gz TWIOOKJGKHAVHZ-JFIYKMOQSA-N 1 1 346.471 3.746 10 30 EHEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000329084330 1025593505 /nfs/dbraw/zinc/59/35/05/1025593505.db2.gz TWIOOKJGKHAVHZ-JFIYKMOQSA-N 1 1 346.471 3.746 10 30 EHEEMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000329484356 1025910681 /nfs/dbraw/zinc/91/06/81/1025910681.db2.gz FOIBHSMKNOYQLW-ZIFCJYIRSA-N 1 1 331.460 3.523 10 30 EHEEMO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000333559368 1027303531 /nfs/dbraw/zinc/30/35/31/1027303531.db2.gz GUKPJCBRPNXIMO-ZVDOUQERSA-N 1 1 339.483 3.706 10 30 EHEEMO C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000329486346 1030904097 /nfs/dbraw/zinc/90/40/97/1030904097.db2.gz SZKWUHOHOCDKMH-GOEBONIOSA-N 1 1 332.444 3.740 10 30 EHEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)c2csc(C)n2)C1 ZINC000329661494 1031651535 /nfs/dbraw/zinc/65/15/35/1031651535.db2.gz IRLGREKYWIKKGT-TZMCWYRMSA-N 1 1 347.488 3.523 10 30 EHEEMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000180721149 1031904823 /nfs/dbraw/zinc/90/48/23/1031904823.db2.gz BPURCWSEIPWRFE-MSOLQXFVSA-N 1 1 328.456 3.595 10 30 EHEEMO C=CC[N@@H+](Cc1cccc(NC(C)=O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000101546988 1033771362 /nfs/dbraw/zinc/77/13/62/1033771362.db2.gz WMKRTZRTBMACSB-UHFFFAOYSA-N 1 1 339.395 3.741 10 30 EHEEMO C=CC[N@H+](Cc1cccc(NC(C)=O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000101546988 1033771379 /nfs/dbraw/zinc/77/13/79/1033771379.db2.gz WMKRTZRTBMACSB-UHFFFAOYSA-N 1 1 339.395 3.741 10 30 EHEEMO C=CC[C@@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000188065915 1035889190 /nfs/dbraw/zinc/88/91/90/1035889190.db2.gz UQAASEFQIYLFBQ-HXUWFJFHSA-N 1 1 349.478 3.835 10 30 EHEEMO N#CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000038039114 526476550 /nfs/dbraw/zinc/47/65/50/526476550.db2.gz RBZGDZJAXMTOTA-UHFFFAOYSA-N 1 1 349.203 3.780 10 30 EHEEMO N#C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000328677399 1022464402 /nfs/dbraw/zinc/46/44/02/1022464402.db2.gz LZJZEQUYTZXZAR-YFZFPPMRSA-N 1 1 347.393 3.808 10 30 EHEEMO N#C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000328677399 1022464410 /nfs/dbraw/zinc/46/44/10/1022464410.db2.gz LZJZEQUYTZXZAR-YFZFPPMRSA-N 1 1 347.393 3.808 10 30 EHEEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000329518331 1025946232 /nfs/dbraw/zinc/94/62/32/1025946232.db2.gz ZHXZPGHNGNAILW-CJNGLKHVSA-N 1 1 347.484 3.970 10 30 EHEEMO Cc1nnc(NC(=O)[C@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)s1 ZINC000329188530 1029978972 /nfs/dbraw/zinc/97/89/72/1029978972.db2.gz BQVKTAPFMOZSIJ-QAPCUYQASA-N 1 1 342.468 3.737 10 30 EHEEMO C=CCC[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000178453699 1031667545 /nfs/dbraw/zinc/66/75/45/1031667545.db2.gz KQXYQHQYOOOSSM-LJQANCHMSA-N 1 1 327.472 3.574 10 30 EHEEMO N#Cc1ccc2[nH]c(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000053219044 132186597 /nfs/dbraw/zinc/18/65/97/132186597.db2.gz VEYSGMPQWOSGTB-UHFFFAOYSA-N 1 1 334.398 3.501 10 30 EHEEMO C=CCC[C@H](CN1CCC[N@H+](C)CC1)Oc1nc2ccccc2s1 ZINC000072478898 564063871 /nfs/dbraw/zinc/06/38/71/564063871.db2.gz RJGAUFHSQDJGKA-MRXNPFEDSA-N 1 1 345.512 3.647 10 30 EHEEMO C=CCC[C@H](C[N@H+]1CCCN(C)CC1)Oc1nc2ccccc2s1 ZINC000072478898 564063872 /nfs/dbraw/zinc/06/38/72/564063872.db2.gz RJGAUFHSQDJGKA-MRXNPFEDSA-N 1 1 345.512 3.647 10 30 EHEEMO C=CCC[C@H](C[N@@H+]1CCCN(C)CC1)Oc1nc2ccccc2s1 ZINC000072478898 564063873 /nfs/dbraw/zinc/06/38/73/564063873.db2.gz RJGAUFHSQDJGKA-MRXNPFEDSA-N 1 1 345.512 3.647 10 30 EHEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)NCC2CCCCC2)C1 ZINC000328728804 1022488356 /nfs/dbraw/zinc/48/83/56/1022488356.db2.gz HCKMAXJADRXUJM-BVBHFADKSA-N 1 1 336.520 3.785 10 30 EHEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788645 1030520813 /nfs/dbraw/zinc/52/08/13/1030520813.db2.gz FEVAMHIJHMWVPX-ZBFHGGJFSA-N 1 1 327.453 3.814 10 30 EHEEMO Cn1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1C#N ZINC000191360039 1036918531 /nfs/dbraw/zinc/91/85/31/1036918531.db2.gz GVEQAEDZZMMRKM-SFHVURJKSA-N 1 1 345.450 3.666 10 30 EHEEMO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000328641492 564137107 /nfs/dbraw/zinc/13/71/07/564137107.db2.gz XZDROCJRCLCHOR-YJBOKZPZSA-N 1 1 327.403 3.527 10 30 EHEEMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)n1cnc2ccccc21 ZINC000329108595 1025607847 /nfs/dbraw/zinc/60/78/47/1025607847.db2.gz FLRAUZOIAAQJTG-HUUCEWRRSA-N 1 1 326.444 3.571 10 30 EHEEMO C=CC[N@H+](Cc1ccc(C)s1)Cc1cc(C)n(-n2cnnc2)c1C ZINC000055342913 518777884 /nfs/dbraw/zinc/77/78/84/518777884.db2.gz FREFRNPINOAXCK-UHFFFAOYSA-N 1 1 341.484 3.566 10 30 EHEEMO CC[C@H]1CC[N@@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000330284766 1024385178 /nfs/dbraw/zinc/38/51/78/1024385178.db2.gz XZAIYHBSRQWEPX-INIZCTEOSA-N 1 1 344.455 3.668 10 30 EHEEMO CC[C@H]1CC[N@H+]1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000330284766 1024385193 /nfs/dbraw/zinc/38/51/93/1024385193.db2.gz XZAIYHBSRQWEPX-INIZCTEOSA-N 1 1 344.455 3.668 10 30 EHEEMO Cc1cc(C#N)cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000367344945 1025133536 /nfs/dbraw/zinc/13/35/36/1025133536.db2.gz CDLQZLLBZDNYKR-UXHICEINSA-N 1 1 332.451 3.505 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329055106 1025581606 /nfs/dbraw/zinc/58/16/06/1025581606.db2.gz SHCUMFIOHYHDHL-AAEUAGOBSA-N 1 1 344.390 3.552 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329055106 1025581618 /nfs/dbraw/zinc/58/16/18/1025581618.db2.gz SHCUMFIOHYHDHL-AAEUAGOBSA-N 1 1 344.390 3.552 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249193807 1030797884 /nfs/dbraw/zinc/79/78/84/1030797884.db2.gz PNGXDUPFCFJTHG-NHCUHLMSSA-N 1 1 335.451 3.551 10 30 EHEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249193807 1030797898 /nfs/dbraw/zinc/79/78/98/1030797898.db2.gz PNGXDUPFCFJTHG-NHCUHLMSSA-N 1 1 335.451 3.551 10 30 EHEEMO CCSc1nc2c(c(-c3ccc(OC)cc3)c1C#N)C[N@@H+](C)CC2 ZINC000040569937 213352467 /nfs/dbraw/zinc/35/24/67/213352467.db2.gz HERJHFBZJRNAQO-UHFFFAOYSA-N 1 1 339.464 3.729 10 30 EHEEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000122915768 1022279782 /nfs/dbraw/zinc/27/97/82/1022279782.db2.gz JKIGBSZMEXOTFV-MRXNPFEDSA-N 1 1 331.423 3.707 10 30 EHEEMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328694417 1022469639 /nfs/dbraw/zinc/46/96/39/1022469639.db2.gz JZHSOGORAYHBNI-SJLPKXTDSA-N 1 1 330.476 3.756 10 30 EHEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CC(=O)NCC2CCCCC2)C1 ZINC000328728805 1022488774 /nfs/dbraw/zinc/48/87/74/1022488774.db2.gz HCKMAXJADRXUJM-LULLPPNCSA-N 1 1 336.520 3.785 10 30 EHEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329067400 1025583506 /nfs/dbraw/zinc/58/35/06/1025583506.db2.gz WZDNCEWTRBPDBU-CLWVCHIJSA-N 1 1 346.475 3.660 10 30 EHEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329067400 1025583522 /nfs/dbraw/zinc/58/35/22/1025583522.db2.gz WZDNCEWTRBPDBU-CLWVCHIJSA-N 1 1 346.475 3.660 10 30 EHEEMO C=C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000248039316 1028844257 /nfs/dbraw/zinc/84/42/57/1028844257.db2.gz LROSLNJCPGAWTB-SLYNCCJLSA-N 1 1 338.495 3.822 10 30 EHEEMO NC(=[NH2+])Nc1ncc(Cl)c2ccc(Sc3ccccc3)cc12 ZINC000035570199 213039112 /nfs/dbraw/zinc/03/91/12/213039112.db2.gz WFWVGNODYCIFAT-UHFFFAOYSA-N 1 1 328.828 3.944 10 30 EHEEMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000328677869 1022464582 /nfs/dbraw/zinc/46/45/82/1022464582.db2.gz AUNMVWSKWJNLEQ-FUHWJXTLSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328684222 1022465380 /nfs/dbraw/zinc/46/53/80/1022465380.db2.gz DXIWAQYNYMFCJG-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328684222 1022465399 /nfs/dbraw/zinc/46/53/99/1022465399.db2.gz DXIWAQYNYMFCJG-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c(C)c1 ZINC000328688192 1022468219 /nfs/dbraw/zinc/46/82/19/1022468219.db2.gz HNMBFZZIXRADQT-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c(C)c1 ZINC000328688192 1022468229 /nfs/dbraw/zinc/46/82/29/1022468229.db2.gz HNMBFZZIXRADQT-DLBZAZTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000328932861 1022663684 /nfs/dbraw/zinc/66/36/84/1022663684.db2.gz DRKZRKNWOBPXRS-GOSISDBHSA-N 1 1 338.455 3.593 10 30 EHEEMO Cn1cc([C@H]2CCC[N@H+]2CC(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000328932861 1022663695 /nfs/dbraw/zinc/66/36/95/1022663695.db2.gz DRKZRKNWOBPXRS-GOSISDBHSA-N 1 1 338.455 3.593 10 30 EHEEMO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCCCC#N ZINC000152477597 1026192525 /nfs/dbraw/zinc/19/25/25/1026192525.db2.gz QDRUQUCEIIWDSW-CZUORRHYSA-N 1 1 337.261 3.905 10 30 EHEEMO COc1cccc2c1CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000194570534 1028523609 /nfs/dbraw/zinc/52/36/09/1028523609.db2.gz LWHPGMXXZUFOJO-INIZCTEOSA-N 1 1 336.435 3.587 10 30 EHEEMO C=CC[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000187027462 1035743077 /nfs/dbraw/zinc/74/30/77/1035743077.db2.gz JMJZMHOKHUGION-IBGZPJMESA-N 1 1 337.467 3.561 10 30 EHEEMO CN(c1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000301354129 1128587242 /nfs/dbraw/zinc/58/72/42/1128587242.db2.gz XHUISWPVXZAJID-YOFSQIOKSA-N 1 1 332.451 3.585 10 30 EHEEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C1 ZINC000328927990 1022624463 /nfs/dbraw/zinc/62/44/63/1022624463.db2.gz XMCSEIZJXLLZJO-YPMHNXCESA-N 1 1 333.457 3.558 10 30 EHEEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)c1 ZINC000329188156 1025651284 /nfs/dbraw/zinc/65/12/84/1025651284.db2.gz QZKZZWVVGAMROP-SJLPKXTDSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)C2)c1 ZINC000329188156 1025651291 /nfs/dbraw/zinc/65/12/91/1025651291.db2.gz QZKZZWVVGAMROP-SJLPKXTDSA-N 1 1 326.444 3.814 10 30 EHEEMO CCC1CCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329271062 1025711669 /nfs/dbraw/zinc/71/16/69/1025711669.db2.gz JBUAMFCFJRLQSM-HNNXBMFYSA-N 1 1 332.492 3.531 10 30 EHEEMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000135452754 1028195695 /nfs/dbraw/zinc/19/56/95/1028195695.db2.gz OIYVNYXQACSGIA-ROUUACIJSA-N 1 1 328.456 3.595 10 30 EHEEMO O=C(NCCC1(O)CCC1)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000329162626 1029929610 /nfs/dbraw/zinc/92/96/10/1029929610.db2.gz ZTYKAIBZIZEEHR-NQIIRXRSSA-N 1 1 342.483 3.550 10 30 EHEEMO C=CC[C@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000188065895 1035888694 /nfs/dbraw/zinc/88/86/94/1035888694.db2.gz UQAASEFQIYLFBQ-FQEVSTJZSA-N 1 1 349.478 3.835 10 30 EHEEMO CCSc1nc2c(c(-c3ccccc3OC)c1C#N)C[N@@H+](C)CC2 ZINC000040569989 213352138 /nfs/dbraw/zinc/35/21/38/213352138.db2.gz KOGBEULRJSLEMS-UHFFFAOYSA-N 1 1 339.464 3.729 10 30 EHEEMO C[C@H](NC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000328615513 1016243039 /nfs/dbraw/zinc/24/30/39/1016243039.db2.gz RUEJGPOIRBQVPS-CVAIRZPRSA-N 1 1 338.455 3.730 10 30 EHEEMO CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330285913 1024385011 /nfs/dbraw/zinc/38/50/11/1024385011.db2.gz ZKNAGXRKUCBGPI-SXUGBLPRSA-N 1 1 333.476 3.699 10 30 EHEEMO C=C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000248039313 1028843393 /nfs/dbraw/zinc/84/33/93/1028843393.db2.gz LROSLNJCPGAWTB-LMNJBCLMSA-N 1 1 338.495 3.822 10 30 EHEEMO C=CC[C@H](C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000188221304 1035922167 /nfs/dbraw/zinc/92/21/67/1035922167.db2.gz RYQYBNIZOYHQEE-FQEVSTJZSA-N 1 1 349.478 3.835 10 30 EHEEMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329183832 1025651398 /nfs/dbraw/zinc/65/13/98/1025651398.db2.gz PNZXLXHDSAFISQ-XJKSGUPXSA-N 1 1 327.428 3.735 10 30 EHEEMO CC1(C)CN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)[C@H]1c1cccs1 ZINC000329339808 1025762660 /nfs/dbraw/zinc/76/26/60/1025762660.db2.gz REQJFFCASARUKA-BBRMVZONSA-N 1 1 344.484 3.504 10 30 EHEEMO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)[C@H]1c1cccs1 ZINC000329339808 1025762674 /nfs/dbraw/zinc/76/26/74/1025762674.db2.gz REQJFFCASARUKA-BBRMVZONSA-N 1 1 344.484 3.504 10 30 EHEEMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641665 1027734494 /nfs/dbraw/zinc/73/44/94/1027734494.db2.gz BGTAXMGEYBUEHN-SGTLLEGYSA-N 1 1 340.427 3.933 10 30 EHEEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000246285792 1028158631 /nfs/dbraw/zinc/15/86/31/1028158631.db2.gz OIYVNYXQACSGIA-ZWKOTPCHSA-N 1 1 328.456 3.595 10 30 EHEEMO COc1cccc2c1CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000194570547 1028525262 /nfs/dbraw/zinc/52/52/62/1028525262.db2.gz LWHPGMXXZUFOJO-MRXNPFEDSA-N 1 1 336.435 3.587 10 30 EHEEMO C=CCCCCCN(C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173367430 1031082688 /nfs/dbraw/zinc/08/26/88/1031082688.db2.gz HWWVHWVYUYJOEE-UHFFFAOYSA-N 1 1 344.503 3.747 10 30 EHEEMO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135696 1123167252 /nfs/dbraw/zinc/16/72/52/1123167252.db2.gz NUTINYCAWIRQKV-NVXWUHKLSA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135696 1123167257 /nfs/dbraw/zinc/16/72/57/1123167257.db2.gz NUTINYCAWIRQKV-NVXWUHKLSA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135696 1123167260 /nfs/dbraw/zinc/16/72/60/1123167260.db2.gz NUTINYCAWIRQKV-NVXWUHKLSA-N 1 1 325.481 3.792 10 30 EHEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(Cl)cn1 ZINC000072478668 216257226 /nfs/dbraw/zinc/25/72/26/216257226.db2.gz BYQSPIHSQKDZNK-HLLBOEOZSA-N 1 1 333.863 3.742 10 30 EHEEMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000189888007 1016753737 /nfs/dbraw/zinc/75/37/37/1016753737.db2.gz ZQEYJWIXVXYELN-OAHLLOKOSA-N 1 1 339.464 3.529 10 30 EHEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000189888007 1016753754 /nfs/dbraw/zinc/75/37/54/1016753754.db2.gz ZQEYJWIXVXYELN-OAHLLOKOSA-N 1 1 339.464 3.529 10 30 EHEEMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1C ZINC000328726659 1022487775 /nfs/dbraw/zinc/48/77/75/1022487775.db2.gz ZSSHZNIECDOWOM-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1C ZINC000328726659 1022487787 /nfs/dbraw/zinc/48/77/87/1022487787.db2.gz ZSSHZNIECDOWOM-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1C ZINC000328726660 1022488171 /nfs/dbraw/zinc/48/81/71/1022488171.db2.gz ZSSHZNIECDOWOM-IRXDYDNUSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1C ZINC000328726660 1022488184 /nfs/dbraw/zinc/48/81/84/1022488184.db2.gz ZSSHZNIECDOWOM-IRXDYDNUSA-N 1 1 326.444 3.814 10 30 EHEEMO C=C[C@@H](CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000135036984 1028163814 /nfs/dbraw/zinc/16/38/14/1028163814.db2.gz IINUWBMBBZFGQU-SFHVURJKSA-N 1 1 349.478 3.835 10 30 EHEEMO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135682 1123167469 /nfs/dbraw/zinc/16/74/69/1123167469.db2.gz NUTINYCAWIRQKV-WBVHZDCISA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135682 1123167471 /nfs/dbraw/zinc/16/74/71/1123167471.db2.gz NUTINYCAWIRQKV-WBVHZDCISA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135682 1123167473 /nfs/dbraw/zinc/16/74/73/1123167473.db2.gz NUTINYCAWIRQKV-WBVHZDCISA-N 1 1 325.481 3.792 10 30 EHEEMO Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cs1 ZINC000189803885 1016723397 /nfs/dbraw/zinc/72/33/97/1016723397.db2.gz LRGQYEFMZSMANO-AWEZNQCLSA-N 1 1 346.481 3.550 10 30 EHEEMO Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cs1 ZINC000189803885 1016723410 /nfs/dbraw/zinc/72/34/10/1016723410.db2.gz LRGQYEFMZSMANO-AWEZNQCLSA-N 1 1 346.481 3.550 10 30 EHEEMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328786333 1022499205 /nfs/dbraw/zinc/49/92/05/1022499205.db2.gz OOPZARJPLWLAHI-OWCLPIDISA-N 1 1 337.508 3.846 10 30 EHEEMO Cc1cc(C#N)cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000588001141 1035667472 /nfs/dbraw/zinc/66/74/72/1035667472.db2.gz WHFQJIQXXDNHAI-RTWAWAEBSA-N 1 1 346.478 3.753 10 30 EHEEMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1ccc(C(C)=O)cn1 ZINC000067434486 215145687 /nfs/dbraw/zinc/14/56/87/215145687.db2.gz CRLSDSAXICOWOP-IBGZPJMESA-N 1 1 339.439 3.525 10 30 EHEEMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(C(C)=O)cn1 ZINC000067434486 215145689 /nfs/dbraw/zinc/14/56/89/215145689.db2.gz CRLSDSAXICOWOP-IBGZPJMESA-N 1 1 339.439 3.525 10 30 EHEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cc(CC)ncn1 ZINC000072476779 216254448 /nfs/dbraw/zinc/25/44/48/216254448.db2.gz ANQUIYXBILMOHE-ZIFCJYIRSA-N 1 1 327.472 3.651 10 30 EHEEMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624011 564149118 /nfs/dbraw/zinc/14/91/18/564149118.db2.gz BDLWTQJLPQTZHV-YZGWKJHDSA-N 1 1 342.483 3.504 10 30 EHEEMO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[N@@H+]1CCc2sccc2C1 ZINC000328686402 1022468190 /nfs/dbraw/zinc/46/81/90/1022468190.db2.gz YEPXYFDZVHOOOK-HIFRSBDPSA-N 1 1 349.500 3.740 10 30 EHEEMO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[N@H+]1CCc2sccc2C1 ZINC000328686402 1022468199 /nfs/dbraw/zinc/46/81/99/1022468199.db2.gz YEPXYFDZVHOOOK-HIFRSBDPSA-N 1 1 349.500 3.740 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328703738 1022471763 /nfs/dbraw/zinc/47/17/63/1022471763.db2.gz OIWXLTMXPCVTCD-HOCLYGCPSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328703738 1022471769 /nfs/dbraw/zinc/47/17/69/1022471769.db2.gz OIWXLTMXPCVTCD-HOCLYGCPSA-N 1 1 330.407 3.644 10 30 EHEEMO O=C(CCc1nc2ccccc2o1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329205416 1030018108 /nfs/dbraw/zinc/01/81/08/1030018108.db2.gz ZGUTZGBSAGJDCS-AWEZNQCLSA-N 1 1 327.428 3.734 10 30 EHEEMO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000181626153 1032012870 /nfs/dbraw/zinc/01/28/70/1032012870.db2.gz HOTRYEWVPUMPRX-QGZVFWFLSA-N 1 1 341.499 3.894 10 30 EHEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000180148670 1035846277 /nfs/dbraw/zinc/84/62/77/1035846277.db2.gz PWICMMZUTCICLE-CYBMUJFWSA-N 1 1 328.437 3.626 10 30 EHEEMO C=CCC[C@H](C[N@H+]1CCCOCC1)Oc1nc2ccccc2s1 ZINC000072448149 564063818 /nfs/dbraw/zinc/06/38/18/564063818.db2.gz NTMYLYSSYCHWBA-OAHLLOKOSA-N 1 1 332.469 3.732 10 30 EHEEMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624007 564149047 /nfs/dbraw/zinc/14/90/47/564149047.db2.gz BDLWTQJLPQTZHV-YSIASYRMSA-N 1 1 342.483 3.504 10 30 EHEEMO C=CCCC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961964 564177230 /nfs/dbraw/zinc/17/72/30/564177230.db2.gz QLJKPVBAGNZSSC-KRWDZBQOSA-N 1 1 346.471 3.547 10 30 EHEEMO C=CCCC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961964 564177231 /nfs/dbraw/zinc/17/72/31/564177231.db2.gz QLJKPVBAGNZSSC-KRWDZBQOSA-N 1 1 346.471 3.547 10 30 EHEEMO Cc1nc([C@@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)cs1 ZINC000189800284 1016731874 /nfs/dbraw/zinc/73/18/74/1016731874.db2.gz GMTPLJFXZPAQSN-SFHVURJKSA-N 1 1 327.453 3.929 10 30 EHEEMO Cc1nc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)cs1 ZINC000189800284 1016731887 /nfs/dbraw/zinc/73/18/87/1016731887.db2.gz GMTPLJFXZPAQSN-SFHVURJKSA-N 1 1 327.453 3.929 10 30 EHEEMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329068946 1025587189 /nfs/dbraw/zinc/58/71/89/1025587189.db2.gz XWZGGIMFPGLVTN-ZFWWWQNUSA-N 1 1 340.427 3.721 10 30 EHEEMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329068946 1025587196 /nfs/dbraw/zinc/58/71/96/1025587196.db2.gz XWZGGIMFPGLVTN-ZFWWWQNUSA-N 1 1 340.427 3.721 10 30 EHEEMO C=CCc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc(OC)c1O ZINC000092788642 1030520521 /nfs/dbraw/zinc/52/05/21/1030520521.db2.gz QWZHGOKITMHBCE-INIZCTEOSA-N 1 1 344.480 3.965 10 30 EHEEMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195340201 1123369282 /nfs/dbraw/zinc/36/92/82/1123369282.db2.gz GYUSKNSINURSBK-MRXNPFEDSA-N 1 1 327.453 3.663 10 30 EHEEMO C[C@H](C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328747204 1022478730 /nfs/dbraw/zinc/47/87/30/1022478730.db2.gz PZEMHIRCQOODQH-QKPAOTATSA-N 1 1 346.519 3.713 10 30 EHEEMO Cc1cc(C(C)C)nc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000187728278 1025750018 /nfs/dbraw/zinc/75/00/18/1025750018.db2.gz UEYBYULUSRNHGG-QGZVFWFLSA-N 1 1 349.482 3.663 10 30 EHEEMO C#Cc1ccc(CN2CCC[C@@H]([N@@H+](CC)Cc3ccncc3)C2)cc1 ZINC000020918218 518358699 /nfs/dbraw/zinc/35/86/99/518358699.db2.gz BWLKYJPYDDNJTH-JOCHJYFZSA-N 1 1 333.479 3.549 10 30 EHEEMO C#Cc1ccc(C[N@H+]2CCC[C@@H](N(CC)Cc3ccncc3)C2)cc1 ZINC000020918218 518358707 /nfs/dbraw/zinc/35/87/07/518358707.db2.gz BWLKYJPYDDNJTH-JOCHJYFZSA-N 1 1 333.479 3.549 10 30 EHEEMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](N(CC)Cc3ccncc3)C2)cc1 ZINC000020918218 518358713 /nfs/dbraw/zinc/35/87/13/518358713.db2.gz BWLKYJPYDDNJTH-JOCHJYFZSA-N 1 1 333.479 3.549 10 30 EHEEMO C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1nc2ccccc2s1 ZINC000072448148 564063829 /nfs/dbraw/zinc/06/38/29/564063829.db2.gz NTMYLYSSYCHWBA-HNNXBMFYSA-N 1 1 332.469 3.732 10 30 EHEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000329007736 1025568540 /nfs/dbraw/zinc/56/85/40/1025568540.db2.gz YLNZKLSFLAMXDU-AGERRDQYSA-N 1 1 343.471 3.805 10 30 EHEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000245553206 1028822297 /nfs/dbraw/zinc/82/22/97/1028822297.db2.gz FEVAMHIJHMWVPX-GDBMZVCRSA-N 1 1 327.453 3.814 10 30 EHEEMO Cc1cc(C#N)cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000588001139 1035666607 /nfs/dbraw/zinc/66/66/07/1035666607.db2.gz WHFQJIQXXDNHAI-LEWJYISDSA-N 1 1 346.478 3.753 10 30 EHEEMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752288 1129579699 /nfs/dbraw/zinc/57/96/99/1129579699.db2.gz RVAKMBCEQOEPSG-WELBPKCISA-N 1 1 337.467 3.572 10 30 EHEEMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329068945 1025587885 /nfs/dbraw/zinc/58/78/85/1025587885.db2.gz XWZGGIMFPGLVTN-UKRRQHHQSA-N 1 1 340.427 3.721 10 30 EHEEMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329068945 1025587895 /nfs/dbraw/zinc/58/78/95/1025587895.db2.gz XWZGGIMFPGLVTN-UKRRQHHQSA-N 1 1 340.427 3.721 10 30 EHEEMO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584372 1028172666 /nfs/dbraw/zinc/17/26/66/1028172666.db2.gz KNJSSDHYDBUYQC-APWZRJJASA-N 1 1 331.504 3.762 10 30 EHEEMO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135671 1123167389 /nfs/dbraw/zinc/16/73/89/1123167389.db2.gz NUTINYCAWIRQKV-RDJZCZTQSA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135671 1123167390 /nfs/dbraw/zinc/16/73/90/1123167390.db2.gz NUTINYCAWIRQKV-RDJZCZTQSA-N 1 1 325.481 3.792 10 30 EHEEMO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000195135671 1123167393 /nfs/dbraw/zinc/16/73/93/1123167393.db2.gz NUTINYCAWIRQKV-RDJZCZTQSA-N 1 1 325.481 3.792 10 30 EHEEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000245702442 1029052386 /nfs/dbraw/zinc/05/23/86/1029052386.db2.gz BPURCWSEIPWRFE-QZTJIDSGSA-N 1 1 328.456 3.595 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c(C)c1 ZINC000328688195 1022467727 /nfs/dbraw/zinc/46/77/27/1022467727.db2.gz HNMBFZZIXRADQT-SJORKVTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c(C)c1 ZINC000328688195 1022467736 /nfs/dbraw/zinc/46/77/36/1022467736.db2.gz HNMBFZZIXRADQT-SJORKVTESA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1cc(C(C)C)nc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000186870034 1025648874 /nfs/dbraw/zinc/64/88/74/1025648874.db2.gz RXDVOIJAMNBALV-KRWDZBQOSA-N 1 1 349.482 3.663 10 30 EHEEMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189748963 1140361991 /nfs/dbraw/zinc/36/19/91/1140361991.db2.gz KDUPRUHIPUYLJA-INIZCTEOSA-N 1 1 343.452 3.548 10 30 EHEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189748963 1140361995 /nfs/dbraw/zinc/36/19/95/1140361995.db2.gz KDUPRUHIPUYLJA-INIZCTEOSA-N 1 1 343.452 3.548 10 30 EHEEMO C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000328672204 1022460194 /nfs/dbraw/zinc/46/01/94/1022460194.db2.gz OAWZYCRXBUEGPE-JYJNAYRXSA-N 1 1 335.492 3.885 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c(C)c1 ZINC000328688193 1022468542 /nfs/dbraw/zinc/46/85/42/1022468542.db2.gz HNMBFZZIXRADQT-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c(C)c1 ZINC000328688193 1022468551 /nfs/dbraw/zinc/46/85/51/1022468551.db2.gz HNMBFZZIXRADQT-IAGOWNOFSA-N 1 1 326.444 3.814 10 30 EHEEMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641706 1027733644 /nfs/dbraw/zinc/73/36/44/1027733644.db2.gz BGTAXMGEYBUEHN-KPZWWZAWSA-N 1 1 340.427 3.933 10 30 EHEEMO O=C(CCc1nc2ccccc2o1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329205417 1030017479 /nfs/dbraw/zinc/01/74/79/1030017479.db2.gz ZGUTZGBSAGJDCS-CQSZACIVSA-N 1 1 327.428 3.734 10 30 EHEEMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)C1 ZINC000328752285 1129579572 /nfs/dbraw/zinc/57/95/72/1129579572.db2.gz RVAKMBCEQOEPSG-DOSUHQCWSA-N 1 1 337.467 3.572 10 30 EHEEMO N#CCCC[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053141342 214166235 /nfs/dbraw/zinc/16/62/35/214166235.db2.gz QXMLISGIIWZCGN-UHFFFAOYSA-N 1 1 346.784 3.570 10 30 EHEEMO N#CCCC[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053141342 214166238 /nfs/dbraw/zinc/16/62/38/214166238.db2.gz QXMLISGIIWZCGN-UHFFFAOYSA-N 1 1 346.784 3.570 10 30 EHEEMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624000 564149051 /nfs/dbraw/zinc/14/90/51/564149051.db2.gz BDLWTQJLPQTZHV-DFQSSKMNSA-N 1 1 342.483 3.504 10 30 EHEEMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183874167 1032237418 /nfs/dbraw/zinc/23/74/18/1032237418.db2.gz DBHJZQAVTWBKPG-UHFFFAOYSA-N 1 1 334.467 3.595 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328726478 1022488507 /nfs/dbraw/zinc/48/85/07/1022488507.db2.gz ZQOLYIAFTLNYSN-XJKSGUPXSA-N 1 1 332.835 3.850 10 30 EHEEMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328726478 1022488515 /nfs/dbraw/zinc/48/85/15/1022488515.db2.gz ZQOLYIAFTLNYSN-XJKSGUPXSA-N 1 1 332.835 3.850 10 30 EHEEMO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cncc(F)c1 ZINC000329336146 1030444911 /nfs/dbraw/zinc/44/49/11/1030444911.db2.gz OZVUPMKRDQLQRR-XUXNNNHQSA-N 1 1 331.435 3.797 10 30 EHEEMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000036095743 564095958 /nfs/dbraw/zinc/09/59/58/564095958.db2.gz IGVXQDFUFCCSAD-QGZVFWFLSA-N 1 1 345.439 3.626 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000328681650 1022466426 /nfs/dbraw/zinc/46/64/26/1022466426.db2.gz CPHCNUTWSJBNOT-HUUCEWRRSA-N 1 1 330.407 3.644 10 30 EHEEMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000328681650 1022466434 /nfs/dbraw/zinc/46/64/34/1022466434.db2.gz CPHCNUTWSJBNOT-HUUCEWRRSA-N 1 1 330.407 3.644 10 30 EHEEMO C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000328966860 1022556690 /nfs/dbraw/zinc/55/66/90/1022556690.db2.gz NDGDFVYCFXBMPO-AOIWGVFYSA-N 1 1 349.434 3.816 10 30 EHEEMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000135452729 1028195342 /nfs/dbraw/zinc/19/53/42/1028195342.db2.gz OIYVNYXQACSGIA-MSOLQXFVSA-N 1 1 328.456 3.595 10 30 EHEEMO N#CC1(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)CCC1 ZINC000333716431 1138324715 /nfs/dbraw/zinc/32/47/15/1138324715.db2.gz QPHVBTBHAOCQBG-INIZCTEOSA-N 1 1 327.476 3.726 10 30 EHEEMO N#CC1(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CCC1 ZINC000333716431 1138324723 /nfs/dbraw/zinc/32/47/23/1138324723.db2.gz QPHVBTBHAOCQBG-INIZCTEOSA-N 1 1 327.476 3.726 10 30 EHEEMO C=CCN(Cc1ccccc1Cl)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000055060805 258015094 /nfs/dbraw/zinc/01/50/94/258015094.db2.gz FPZKSQSXDVBBKQ-UHFFFAOYSA-N 1 1 332.831 3.823 10 30 EHEEMO C=CCC[C@@H](CN1CCC[N@H+](C)CC1)Oc1nc2ccccc2s1 ZINC000107008311 564073287 /nfs/dbraw/zinc/07/32/87/564073287.db2.gz RJGAUFHSQDJGKA-INIZCTEOSA-N 1 1 345.512 3.647 10 30 EHEEMO C=CCC[C@@H](C[N@H+]1CCCN(C)CC1)Oc1nc2ccccc2s1 ZINC000107008311 564073288 /nfs/dbraw/zinc/07/32/88/564073288.db2.gz RJGAUFHSQDJGKA-INIZCTEOSA-N 1 1 345.512 3.647 10 30 EHEEMO C=CCC[C@@H](C[N@@H+]1CCCN(C)CC1)Oc1nc2ccccc2s1 ZINC000107008311 564073289 /nfs/dbraw/zinc/07/32/89/564073289.db2.gz RJGAUFHSQDJGKA-INIZCTEOSA-N 1 1 345.512 3.647 10 30 EHEEMO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000284624004 564149041 /nfs/dbraw/zinc/14/90/41/564149041.db2.gz BDLWTQJLPQTZHV-MISYRCLQSA-N 1 1 342.483 3.504 10 30 EHEEMO