smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000182563616 1032110405 /nfs/dbraw/zinc/11/04/05/1032110405.db2.gz DZZPJLUIRAZTAX-YJBOKZPZSA-N 1 1 342.439 3.611 10 0 EHAEMO ClC(Cl)(Cl)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184681133 1032316467 /nfs/dbraw/zinc/31/64/67/1032316467.db2.gz NSVQRUZPCOOZPF-AAEUAGOBSA-N 1 1 325.711 3.695 10 0 EHAEMO ClC(Cl)(Cl)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000184681133 1032316509 /nfs/dbraw/zinc/31/65/09/1032316509.db2.gz NSVQRUZPCOOZPF-AAEUAGOBSA-N 1 1 325.711 3.695 10 0 EHAEMO ClC(Cl)(Cl)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000184681133 1032316516 /nfs/dbraw/zinc/31/65/16/1032316516.db2.gz NSVQRUZPCOOZPF-AAEUAGOBSA-N 1 1 325.711 3.695 10 0 EHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1coc(-c3cccc(F)c3)n1)CC2 ZINC000128526948 1022440736 /nfs/dbraw/zinc/44/07/36/1022440736.db2.gz WURPZHZRVVKDCC-DNVCBOLYSA-N 1 1 330.403 3.608 10 0 EHAEMO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)n1 ZINC000328914114 1022543359 /nfs/dbraw/zinc/54/33/59/1022543359.db2.gz PZVXOMVIALKKSC-YLQAJVPDSA-N 1 1 340.427 3.593 10 0 EHAEMO C[C@@H]1C[C@H](c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638207 1023956151 /nfs/dbraw/zinc/95/61/51/1023956151.db2.gz YTBXSHMTHOHTRY-MMMWYMCRSA-N 1 1 333.476 3.925 10 0 EHAEMO C[C@@H]1C[C@H](c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638207 1023956162 /nfs/dbraw/zinc/95/61/62/1023956162.db2.gz YTBXSHMTHOHTRY-MMMWYMCRSA-N 1 1 333.476 3.925 10 0 EHAEMO Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)[nH+]c1 ZINC000152680686 1026529807 /nfs/dbraw/zinc/52/98/07/1026529807.db2.gz GBPSEJSRFUYMPY-IEBWSBKVSA-N 1 1 341.499 3.788 10 0 EHAEMO Cc1cc(C[C@H](C)[NH2+]C2CC(c3ccc(Br)cc3)C2)n[nH]1 ZINC000194116685 1028493079 /nfs/dbraw/zinc/49/30/79/1028493079.db2.gz ZZEPTLXREKGAKT-WJFWJRBTSA-N 1 1 348.288 3.947 10 0 EHAEMO C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4c(F)cccc4F)n3)CC[C@H]21 ZINC000246500058 1028633651 /nfs/dbraw/zinc/63/36/51/1028633651.db2.gz BDVHTSDTYWPLBD-SUMWQHHRSA-N 1 1 347.409 3.536 10 0 EHAEMO CSc1ccc(Cl)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000246569754 1028658077 /nfs/dbraw/zinc/65/80/77/1028658077.db2.gz BOROBZLFHYRDKV-BLLLJJGKSA-N 1 1 338.904 3.618 10 0 EHAEMO COc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)o1 ZINC000246642607 1028673222 /nfs/dbraw/zinc/67/32/22/1028673222.db2.gz IHABAFJGQKLLHU-GDBMZVCRSA-N 1 1 327.428 3.900 10 0 EHAEMO CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)n1 ZINC000247073120 1028739516 /nfs/dbraw/zinc/73/95/16/1028739516.db2.gz MUTLYWJHJUKKLO-LZWOXQAQSA-N 1 1 345.443 3.554 10 0 EHAEMO CCO[C@H](C)c1noc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)n1 ZINC000247073120 1028739530 /nfs/dbraw/zinc/73/95/30/1028739530.db2.gz MUTLYWJHJUKKLO-LZWOXQAQSA-N 1 1 345.443 3.554 10 0 EHAEMO O[C@@H](C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1)c1cccs1 ZINC000247258751 1028765652 /nfs/dbraw/zinc/76/56/52/1028765652.db2.gz VCXHFRCAHKUSFC-IXDOHACOSA-N 1 1 335.444 3.509 10 0 EHAEMO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000247277969 1028771899 /nfs/dbraw/zinc/77/18/99/1028771899.db2.gz XCUJOKRNGGTWSG-SUMWQHHRSA-N 1 1 343.496 3.543 10 0 EHAEMO Cc1cccc2nc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)cn21 ZINC000247326796 1028776840 /nfs/dbraw/zinc/77/68/40/1028776840.db2.gz YDQVDBAYNMWSLH-DLBZAZTESA-N 1 1 341.480 3.792 10 0 EHAEMO C[C@H](CC1CC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247403551 1028786350 /nfs/dbraw/zinc/78/63/50/1028786350.db2.gz RSFVQZQACBMVCL-HLIPFELVSA-N 1 1 343.515 3.870 10 0 EHAEMO Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248993343 1028974685 /nfs/dbraw/zinc/97/46/85/1028974685.db2.gz GEVOFLBDLMXDHV-PBHICJAKSA-N 1 1 344.846 3.610 10 0 EHAEMO CCCN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245724026 1029140455 /nfs/dbraw/zinc/14/04/55/1029140455.db2.gz RSXAJKGHGPXYOX-CJNGLKHVSA-N 1 1 341.858 3.523 10 0 EHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000245857857 1029387443 /nfs/dbraw/zinc/38/74/43/1029387443.db2.gz CTFURKXFKZNNFF-AOIWGVFYSA-N 1 1 343.515 3.625 10 0 EHAEMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nccs3)C2)o1 ZINC000092788539 1030520695 /nfs/dbraw/zinc/52/06/95/1030520695.db2.gz YKPHGQBIVMHQRN-ZDUSSCGKSA-N 1 1 328.441 3.814 10 0 EHAEMO CCc1ccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000174405241 1031215900 /nfs/dbraw/zinc/21/59/00/1031215900.db2.gz NMJZSFANOOMVJH-UHFFFAOYSA-N 1 1 338.455 3.743 10 0 EHAEMO C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3C[C@@H]3C3CCCCC3)n1)OC2 ZINC000329598795 1031271393 /nfs/dbraw/zinc/27/13/93/1031271393.db2.gz PSNWIFKUFIMOQP-YYAJDYIMSA-N 1 1 331.460 3.679 10 0 EHAEMO C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3C[C@@H]3C3CCCCC3)n1)OC2 ZINC000329598795 1031271405 /nfs/dbraw/zinc/27/14/05/1031271405.db2.gz PSNWIFKUFIMOQP-YYAJDYIMSA-N 1 1 331.460 3.679 10 0 EHAEMO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cn2ccsc2n1)c1cccs1 ZINC000175816066 1031384295 /nfs/dbraw/zinc/38/42/95/1031384295.db2.gz JJSFCOFVPHCRJD-KGLIPLIRSA-N 1 1 333.482 3.545 10 0 EHAEMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1cn2ccsc2n1)c1cccs1 ZINC000175816066 1031384320 /nfs/dbraw/zinc/38/43/20/1031384320.db2.gz JJSFCOFVPHCRJD-KGLIPLIRSA-N 1 1 333.482 3.545 10 0 EHAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CCCCCC1 ZINC000176606367 1031465245 /nfs/dbraw/zinc/46/52/45/1031465245.db2.gz QZNHAGCLASMQJJ-PXNSSMCTSA-N 1 1 343.515 3.769 10 0 EHAEMO Cc1ccc(/C=C/CC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000176648759 1031469384 /nfs/dbraw/zinc/46/93/84/1031469384.db2.gz UEMDGWVQWWGKKF-GQCTYLIASA-N 1 1 349.478 3.887 10 0 EHAEMO Cc1cccc2cc(-c3nc([C@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)oc21 ZINC000329629408 1031496337 /nfs/dbraw/zinc/49/63/37/1031496337.db2.gz WBKBVQLBKYNHKZ-BEFAXECRSA-N 1 1 339.395 3.717 10 0 EHAEMO O=C(CCCc1ccc2ccccc2c1)N1CCC[N@H+](C2CC2)CC1 ZINC000180106252 1031800397 /nfs/dbraw/zinc/80/03/97/1031800397.db2.gz ZIWDMCKZPMZSSF-UHFFFAOYSA-N 1 1 336.479 3.859 10 0 EHAEMO O=C(CC[N@H+]1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1F ZINC000186909721 1035718012 /nfs/dbraw/zinc/71/80/12/1035718012.db2.gz MMWLWIHKFRMCPP-LBPRGKRZSA-N 1 1 336.407 3.874 10 0 EHAEMO CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000108391280 1037647583 /nfs/dbraw/zinc/64/75/83/1037647583.db2.gz POUJQVCMGHJPES-KRWDZBQOSA-N 1 1 339.863 3.988 10 0 EHAEMO Cc1ccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(F)c1 ZINC000116997250 1037846718 /nfs/dbraw/zinc/84/67/18/1037846718.db2.gz MDKFMPRPASHPSB-UHFFFAOYSA-N 1 1 342.418 3.628 10 0 EHAEMO C[C@@H](CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc(F)c1 ZINC000162686789 1043184985 /nfs/dbraw/zinc/18/49/85/1043184985.db2.gz HTJCAVSTSTXALG-HNNXBMFYSA-N 1 1 343.446 3.534 10 0 EHAEMO CC[C@H](CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000162691594 1043669749 /nfs/dbraw/zinc/66/97/49/1043669749.db2.gz ISQKMVGZQFUQJV-GOSISDBHSA-N 1 1 339.483 3.785 10 0 EHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000162718753 1043771824 /nfs/dbraw/zinc/77/18/24/1043771824.db2.gz WRVPUAGMGLUUGL-QPJJXVBHSA-N 1 1 343.858 3.568 10 0 EHAEMO [NH3+][C@@H]1c2cc(F)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000019795665 202021013 /nfs/dbraw/zinc/02/10/13/202021013.db2.gz LYEKXSSHKAJMOF-CQSZACIVSA-N 1 1 325.170 3.679 10 0 EHAEMO CCC[N@@H+](CC(=O)c1ccc(OC)c(Br)c1)C(C)C ZINC000037335048 202339465 /nfs/dbraw/zinc/33/94/65/202339465.db2.gz IVUXBRKDNFUVCH-UHFFFAOYSA-N 1 1 328.250 3.761 10 0 EHAEMO CC[C@H](C)[N@@H+](Cc1cccnc1)Cc1cc2ccccc2n(C)c1=O ZINC000055074015 563933597 /nfs/dbraw/zinc/93/35/97/563933597.db2.gz XXMTVFXLXYWNLR-INIZCTEOSA-N 1 1 335.451 3.734 10 0 EHAEMO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)o1 ZINC000075612302 564089867 /nfs/dbraw/zinc/08/98/67/564089867.db2.gz OYYIPGNHJSBOHP-BBRMVZONSA-N 1 1 337.427 3.709 10 0 EHAEMO NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000183584304 1032209382 /nfs/dbraw/zinc/20/93/82/1032209382.db2.gz DJCLDSRLTPBETP-GJZGRUSLSA-N 1 1 334.872 3.635 10 0 EHAEMO Cc1cc(C[N@H+]2CCCN(c3ccccn3)CC2)c2ccccc2n1 ZINC000183873598 1032236079 /nfs/dbraw/zinc/23/60/79/1032236079.db2.gz VIILFDMKHOHUSZ-UHFFFAOYSA-N 1 1 332.451 3.651 10 0 EHAEMO Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000333212540 1018851142 /nfs/dbraw/zinc/85/11/42/1018851142.db2.gz UFWFQQMLUDFJDD-ZIEJDFEHSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000333212540 1018851164 /nfs/dbraw/zinc/85/11/64/1018851164.db2.gz UFWFQQMLUDFJDD-ZIEJDFEHSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000333212538 1018851574 /nfs/dbraw/zinc/85/15/74/1018851574.db2.gz UFWFQQMLUDFJDD-UZMCECQYSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000333212538 1018851592 /nfs/dbraw/zinc/85/15/92/1018851592.db2.gz UFWFQQMLUDFJDD-UZMCECQYSA-N 1 1 345.830 3.530 10 0 EHAEMO C([C@H]1CCC2(CCCCC2)O1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000191006344 1024017057 /nfs/dbraw/zinc/01/70/57/1024017057.db2.gz UJJMZAAUTOESNM-DLBZAZTESA-N 1 1 344.503 3.743 10 0 EHAEMO C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000191006344 1024017073 /nfs/dbraw/zinc/01/70/73/1024017073.db2.gz UJJMZAAUTOESNM-DLBZAZTESA-N 1 1 344.503 3.743 10 0 EHAEMO C([C@H]1CCC2(CCCCC2)O1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000191006344 1024017077 /nfs/dbraw/zinc/01/70/77/1024017077.db2.gz UJJMZAAUTOESNM-DLBZAZTESA-N 1 1 344.503 3.743 10 0 EHAEMO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000128811731 1024317821 /nfs/dbraw/zinc/31/78/21/1024317821.db2.gz KCBIJZWYJVKUMY-DOTOQJQBSA-N 1 1 346.519 3.599 10 0 EHAEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000104710910 1026393251 /nfs/dbraw/zinc/39/32/51/1026393251.db2.gz CHQXUTBISZHFFZ-MRXNPFEDSA-N 1 1 326.440 3.505 10 0 EHAEMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1)c1ccco1 ZINC000246208390 1027996545 /nfs/dbraw/zinc/99/65/45/1027996545.db2.gz MHWHZWRWABORRY-ZWKOTPCHSA-N 1 1 337.423 3.758 10 0 EHAEMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1)c1ccco1 ZINC000246208390 1027996553 /nfs/dbraw/zinc/99/65/53/1027996553.db2.gz MHWHZWRWABORRY-ZWKOTPCHSA-N 1 1 337.423 3.758 10 0 EHAEMO Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)C[N@H+](C)C3)c(F)c1 ZINC000194513556 1028537270 /nfs/dbraw/zinc/53/72/70/1028537270.db2.gz NYMXNUVBUGCTMZ-CYBMUJFWSA-N 1 1 327.403 3.519 10 0 EHAEMO CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246497113 1028630619 /nfs/dbraw/zinc/63/06/19/1028630619.db2.gz IUJYAWLCPQUZMZ-QZTJIDSGSA-N 1 1 344.480 3.795 10 0 EHAEMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000195351488 1028636671 /nfs/dbraw/zinc/63/66/71/1028636671.db2.gz OLPQJDXHIRANKZ-OAHLLOKOSA-N 1 1 329.469 3.578 10 0 EHAEMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000195351488 1028636678 /nfs/dbraw/zinc/63/66/78/1028636678.db2.gz OLPQJDXHIRANKZ-OAHLLOKOSA-N 1 1 329.469 3.578 10 0 EHAEMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247587322 1028804313 /nfs/dbraw/zinc/80/43/13/1028804313.db2.gz MHEVGASKEVIKMW-CJNGLKHVSA-N 1 1 342.468 3.991 10 0 EHAEMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247587322 1028804331 /nfs/dbraw/zinc/80/43/31/1028804331.db2.gz MHEVGASKEVIKMW-CJNGLKHVSA-N 1 1 342.468 3.991 10 0 EHAEMO CSc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247923112 1028826832 /nfs/dbraw/zinc/82/68/32/1028826832.db2.gz CECRFHVHWRXJPL-DZGCQCFKSA-N 1 1 332.494 3.645 10 0 EHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)c(Cl)cc3Cl)CC[C@H]21 ZINC000247954116 1028831778 /nfs/dbraw/zinc/83/17/78/1028831778.db2.gz FIGVSSXLDSODIV-MEBBXXQBSA-N 1 1 345.245 3.689 10 0 EHAEMO Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@@H](n4ccnc4)C3)on2)cc1 ZINC000245610688 1028920702 /nfs/dbraw/zinc/92/07/02/1028920702.db2.gz NYSLLHLCRAULHA-JXFKEZNVSA-N 1 1 336.439 3.930 10 0 EHAEMO COCc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2c(F)cccc2F)o1 ZINC000248638813 1028930867 /nfs/dbraw/zinc/93/08/67/1028930867.db2.gz XISZVNIGLRTAHR-HZPDHXFCSA-N 1 1 337.366 3.575 10 0 EHAEMO O[C@H](C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccccc1Cl ZINC000248671353 1028937191 /nfs/dbraw/zinc/93/71/91/1028937191.db2.gz BHWQCYCYJKWMAU-RTBURBONSA-N 1 1 329.827 3.505 10 0 EHAEMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)co1 ZINC000249093983 1028985218 /nfs/dbraw/zinc/98/52/18/1028985218.db2.gz XCHONHKXXOJVQZ-KXBFYZLASA-N 1 1 326.440 3.713 10 0 EHAEMO CCN(CC)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245737523 1029210837 /nfs/dbraw/zinc/21/08/37/1029210837.db2.gz VAZKUGFHWDKFTQ-CJNGLKHVSA-N 1 1 341.858 3.523 10 0 EHAEMO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245738755 1029218409 /nfs/dbraw/zinc/21/84/09/1029218409.db2.gz VHHOUNFLWUCDDS-WFASDCNBSA-N 1 1 326.843 3.634 10 0 EHAEMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc(OC)c1OC ZINC000245776787 1029279721 /nfs/dbraw/zinc/27/97/21/1029279721.db2.gz 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SCOXTZMPHQGJTI-XUVXKRRUSA-N 1 1 344.499 3.616 10 0 EHAEMO CCCC[C@H](C(=O)[O-])[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714980570 977687112 /nfs/dbraw/zinc/68/71/12/977687112.db2.gz SCOXTZMPHQGJTI-XUVXKRRUSA-N 1 1 344.499 3.616 10 0 EHAEMO CCCC[C@H](C(=O)[O-])[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714980570 977687118 /nfs/dbraw/zinc/68/71/18/977687118.db2.gz SCOXTZMPHQGJTI-XUVXKRRUSA-N 1 1 344.499 3.616 10 0 EHAEMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1F ZINC000184004209 1032223683 /nfs/dbraw/zinc/22/36/83/1032223683.db2.gz IOWZSFVCJWIXKA-GOSISDBHSA-N 1 1 334.435 3.531 10 0 EHAEMO C[N@@H+](C[C@H]1CC12CCN(C(=O)CC(C)(C)C(F)(F)F)CC2)C1CC1 ZINC000377085664 1017311706 /nfs/dbraw/zinc/31/17/06/1017311706.db2.gz BXZVQEPEAMCOPG-CYBMUJFWSA-N 1 1 346.437 3.688 10 0 EHAEMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000305140536 1018978055 /nfs/dbraw/zinc/97/80/55/1018978055.db2.gz MEWHRUMCONUDGW-XAUMDUMWSA-N 1 1 341.455 3.733 10 0 EHAEMO 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339.479 3.580 10 0 EHAEMO CSCCC[N@H+]1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000012715537 564063564 /nfs/dbraw/zinc/06/35/64/564063564.db2.gz CRZZHHKNRBXVOI-IBGZPJMESA-N 1 1 338.561 3.634 10 0 EHAEMO C[N@H+]1C[C@@H](NCc2ccc(Cl)cc2Br)C(C)(C)C1 ZINC000675075785 564113248 /nfs/dbraw/zinc/11/32/48/564113248.db2.gz QUJVOPWNOXEUJQ-CYBMUJFWSA-N 1 1 331.685 3.532 10 0 EHAEMO CN1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C(C)(C)C1 ZINC000675075785 564113249 /nfs/dbraw/zinc/11/32/49/564113249.db2.gz QUJVOPWNOXEUJQ-CYBMUJFWSA-N 1 1 331.685 3.532 10 0 EHAEMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000182563581 1032110789 /nfs/dbraw/zinc/11/07/89/1032110789.db2.gz DZZPJLUIRAZTAX-MAUKXSAKSA-N 1 1 342.439 3.611 10 0 EHAEMO c1cnn(-c2ncccc2C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000183344099 1032161662 /nfs/dbraw/zinc/16/16/62/1032161662.db2.gz NJOSRUXYGMKEQT-IBGZPJMESA-N 1 1 330.391 3.740 10 0 EHAEMO c1ccn2c(c1)nnc2C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000183797265 1032207303 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347.846 3.517 10 0 EHAEMO Clc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333744773 1023189832 /nfs/dbraw/zinc/18/98/32/1023189832.db2.gz YDDFBGJAZDTXDG-QXSJWSMHSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333744773 1023189836 /nfs/dbraw/zinc/18/98/36/1023189836.db2.gz YDDFBGJAZDTXDG-QXSJWSMHSA-N 1 1 345.830 3.530 10 0 EHAEMO Cc1c2ccccc2oc1-c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000329678516 1024041018 /nfs/dbraw/zinc/04/10/18/1024041018.db2.gz QJHXLANPZIXOQU-DNVCBOLYSA-N 1 1 339.395 3.717 10 0 EHAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)n1 ZINC000246191370 1027933087 /nfs/dbraw/zinc/93/30/87/1027933087.db2.gz WGNCYKLVEPTDRZ-MAUKXSAKSA-N 1 1 345.874 3.511 10 0 EHAEMO CCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)no1 ZINC000246356513 1028276422 /nfs/dbraw/zinc/27/64/22/1028276422.db2.gz GIQROQJIOSHXIR-DLBZAZTESA-N 1 1 329.444 3.500 10 0 EHAEMO CCc1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)no1 ZINC000246356513 1028276438 /nfs/dbraw/zinc/27/64/38/1028276438.db2.gz GIQROQJIOSHXIR-DLBZAZTESA-N 1 1 329.444 3.500 10 0 EHAEMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193607148 1028451755 /nfs/dbraw/zinc/45/17/55/1028451755.db2.gz LBEDNSCYWUXTGE-YUELXQCFSA-N 1 1 331.847 3.549 10 0 EHAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)Nc1ccccc1Cl ZINC000194517157 1028538377 /nfs/dbraw/zinc/53/83/77/1028538377.db2.gz SMGKAFXRZIGKNW-GFCCVEGCSA-N 1 1 329.831 3.725 10 0 EHAEMO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195354468 1028600057 /nfs/dbraw/zinc/60/00/57/1028600057.db2.gz IJPPHMNNJKOBHE-OAHLLOKOSA-N 1 1 329.469 3.524 10 0 EHAEMO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195354468 1028600061 /nfs/dbraw/zinc/60/00/61/1028600061.db2.gz IJPPHMNNJKOBHE-OAHLLOKOSA-N 1 1 329.469 3.524 10 0 EHAEMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000195355633 1028600085 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345.443 3.554 10 0 EHAEMO CCO[C@H](C)c1noc(C[N@H+]2C[C@H](c3ccc(OC)cc3)C[C@H]2C)n1 ZINC000247073086 1028738894 /nfs/dbraw/zinc/73/88/94/1028738894.db2.gz MUTLYWJHJUKKLO-IIAWOOMASA-N 1 1 345.443 3.554 10 0 EHAEMO Cc1c(-c2cc(C[N@@H+]3CC[C@H](C)C[C@H]3c3ccco3)on2)cnn1C ZINC000248640758 1028934450 /nfs/dbraw/zinc/93/44/50/1028934450.db2.gz YEKWKWNPSGYXCM-UGSOOPFHSA-N 1 1 340.427 3.950 10 0 EHAEMO Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000248767521 1028946246 /nfs/dbraw/zinc/94/62/46/1028946246.db2.gz GZZONEPHHWEGKW-WMZOPIPTSA-N 1 1 338.455 3.565 10 0 EHAEMO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1)C(C)C ZINC000248920916 1028966455 /nfs/dbraw/zinc/96/64/55/1028966455.db2.gz WORMBWXBKRVCKL-VQTJNVASSA-N 1 1 344.499 3.604 10 0 EHAEMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C12CCC2 ZINC000249194613 1028996011 /nfs/dbraw/zinc/99/60/11/1028996011.db2.gz PZFCSCANZRWZBF-BRWVUGGUSA-N 1 1 329.419 3.576 10 0 EHAEMO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000245698822 1029035964 /nfs/dbraw/zinc/03/59/64/1029035964.db2.gz CUDKJYQUTVVMCX-UGSOOPFHSA-N 1 1 330.453 3.669 10 0 EHAEMO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000245698822 1029035985 /nfs/dbraw/zinc/03/59/85/1029035985.db2.gz CUDKJYQUTVVMCX-UGSOOPFHSA-N 1 1 330.453 3.669 10 0 EHAEMO c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc(OC2CCCC2)c1 ZINC000245700058 1029039391 /nfs/dbraw/zinc/03/93/91/1029039391.db2.gz BLPOSOCJZVHWGO-RTBURBONSA-N 1 1 333.497 3.714 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)c(F)c3)CC2)[nH+]1 ZINC000154352126 1029115296 /nfs/dbraw/zinc/11/52/96/1029115296.db2.gz WCMSKECXOYZKFO-UHFFFAOYSA-N 1 1 347.821 3.581 10 0 EHAEMO Fc1ccccc1-c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1 ZINC000077482661 1029115975 /nfs/dbraw/zinc/11/59/75/1029115975.db2.gz DDGVWOZUSXMDDG-UHFFFAOYSA-N 1 1 331.460 3.619 10 0 EHAEMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc(OC)c1OC ZINC000245776789 1029280002 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CC(C)(Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1)C1CCCCC1 ZINC000329558061 1031101927 /nfs/dbraw/zinc/10/19/27/1031101927.db2.gz FGPGHFUBHKZADX-JKSUJKDBSA-N 1 1 333.476 3.754 10 0 EHAEMO CC(C)(Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1)C1CCCCC1 ZINC000329558061 1031101940 /nfs/dbraw/zinc/10/19/40/1031101940.db2.gz FGPGHFUBHKZADX-JKSUJKDBSA-N 1 1 333.476 3.754 10 0 EHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000178793743 1031703522 /nfs/dbraw/zinc/70/35/22/1031703522.db2.gz AXTTZEAZLDNNGE-UHFFFAOYSA-N 1 1 332.835 3.560 10 0 EHAEMO C[C@H](CC(=O)N1CCC[N@H+](C2CC2)CC1)Cc1ccc(Cl)cc1 ZINC000179882199 1031817039 /nfs/dbraw/zinc/81/70/39/1031817039.db2.gz BUKBXNYQGAGSGK-HNNXBMFYSA-N 1 1 334.891 3.605 10 0 EHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(C)CCCCCC1 ZINC000180803466 1031950502 /nfs/dbraw/zinc/95/05/02/1031950502.db2.gz GXEYVSPFLJGSOK-MJGOQNOKSA-N 1 1 343.515 3.769 10 0 EHAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000086340128 1034071519 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Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000106225603 1041631237 /nfs/dbraw/zinc/63/12/37/1041631237.db2.gz PEFXVDSUEXDQFS-YOEHRIQHSA-N 1 1 346.862 3.509 10 0 EHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000106225603 1041631242 /nfs/dbraw/zinc/63/12/42/1041631242.db2.gz PEFXVDSUEXDQFS-YOEHRIQHSA-N 1 1 346.862 3.509 10 0 EHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000162340770 1042721241 /nfs/dbraw/zinc/72/12/41/1042721241.db2.gz YAYKSNWUBBRALT-UHFFFAOYSA-N 1 1 339.464 3.730 10 0 EHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000162541456 1042737367 /nfs/dbraw/zinc/73/73/67/1042737367.db2.gz IXNLWHFAFVLVGS-UHFFFAOYSA-N 1 1 339.483 3.813 10 0 EHAEMO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000330266086 1042749130 /nfs/dbraw/zinc/74/91/30/1042749130.db2.gz PTYSOGHOUOMALB-VQISRLSMSA-N 1 1 333.819 3.608 10 0 EHAEMO C[C@@H]([NH2+][C@H](C)c1sccc1Br)C(=O)N1CCCCC1 ZINC000037784459 202036582 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CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cs1 ZINC000246364258 1028286712 /nfs/dbraw/zinc/28/67/12/1028286712.db2.gz GXEYREPSEXMIKU-RDTXWAMCSA-N 1 1 343.496 3.894 10 0 EHAEMO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cs1 ZINC000246364258 1028286729 /nfs/dbraw/zinc/28/67/29/1028286729.db2.gz GXEYREPSEXMIKU-RDTXWAMCSA-N 1 1 343.496 3.894 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)N(CC3CCC3)C(C)C)CC2)[nH+]c1 ZINC000193792952 1028463816 /nfs/dbraw/zinc/46/38/16/1028463816.db2.gz DPDNVIALVZZDAI-UHFFFAOYSA-N 1 1 344.503 3.579 10 0 EHAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)Nc1cccc2ncccc21 ZINC000194510266 1028539338 /nfs/dbraw/zinc/53/93/38/1028539338.db2.gz HUVNRBBGLBQBSZ-CQSZACIVSA-N 1 1 346.434 3.619 10 0 EHAEMO CCC(CC)(CC)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000074301977 1028606237 /nfs/dbraw/zinc/60/62/37/1028606237.db2.gz CNMCWCLUGXSNFX-WMZOPIPTSA-N 1 1 346.519 3.560 10 0 EHAEMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195351423 1028635822 /nfs/dbraw/zinc/63/58/22/1028635822.db2.gz IVWULRXHRGNUNL-HNNXBMFYSA-N 1 1 329.469 3.578 10 0 EHAEMO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195351423 1028635840 /nfs/dbraw/zinc/63/58/40/1028635840.db2.gz IVWULRXHRGNUNL-HNNXBMFYSA-N 1 1 329.469 3.578 10 0 EHAEMO Cc1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000246589883 1028664338 /nfs/dbraw/zinc/66/43/38/1028664338.db2.gz CPGFOYKSTVNISC-IAGOWNOFSA-N 1 1 346.521 3.825 10 0 EHAEMO Cc1ccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000246589883 1028664345 /nfs/dbraw/zinc/66/43/45/1028664345.db2.gz CPGFOYKSTVNISC-IAGOWNOFSA-N 1 1 346.521 3.825 10 0 EHAEMO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000246709360 1028680363 /nfs/dbraw/zinc/68/03/63/1028680363.db2.gz ZKEZYPLMTYJVDQ-CHWSQXEVSA-N 1 1 341.908 3.670 10 0 EHAEMO CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000246709360 1028680374 /nfs/dbraw/zinc/68/03/74/1028680374.db2.gz ZKEZYPLMTYJVDQ-CHWSQXEVSA-N 1 1 341.908 3.670 10 0 EHAEMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1C ZINC000246827777 1028700656 /nfs/dbraw/zinc/70/06/56/1028700656.db2.gz KBLXQYKNUQOHBI-MSOLQXFVSA-N 1 1 333.497 3.521 10 0 EHAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc4cc(F)ccc4s3)CC[C@H]21 ZINC000247129627 1028748703 /nfs/dbraw/zinc/74/87/03/1028748703.db2.gz ARLJJHJOIURSDF-SWLSCSKDSA-N 1 1 332.444 3.597 10 0 EHAEMO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000247512147 1028798261 /nfs/dbraw/zinc/79/82/61/1028798261.db2.gz JRZJXMUKTJQDRJ-CVEARBPZSA-N 1 1 330.453 3.627 10 0 EHAEMO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000247512147 1028798279 /nfs/dbraw/zinc/79/82/79/1028798279.db2.gz JRZJXMUKTJQDRJ-CVEARBPZSA-N 1 1 330.453 3.627 10 0 EHAEMO Cc1ccnc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000248460559 1028912530 /nfs/dbraw/zinc/91/25/30/1028912530.db2.gz SSDPGDAMSCJKCO-SJORKVTESA-N 1 1 330.476 3.508 10 0 EHAEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccsc2Cl)[C@H]1c1ccccc1 ZINC000248987597 1028975288 /nfs/dbraw/zinc/97/52/88/1028975288.db2.gz FFXPGLZHDARBIW-TZMCWYRMSA-N 1 1 335.860 3.968 10 0 EHAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nnc(-c4ccco4)o3)C2)cc1 ZINC000076391299 1028986600 /nfs/dbraw/zinc/98/66/00/1028986600.db2.gz MTIIHSGWYPDKJF-UKRRQHHQSA-N 1 1 339.395 3.716 10 0 EHAEMO c1c[nH]c([C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc2)n1 ZINC000249190426 1028997915 /nfs/dbraw/zinc/99/79/15/1028997915.db2.gz NPURBUNZNADUHS-NHCUHLMSSA-N 1 1 346.478 3.753 10 0 EHAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000245697479 1029028832 /nfs/dbraw/zinc/02/88/32/1029028832.db2.gz SSBJFUUGXXAYPN-SWLSCSKDSA-N 1 1 341.377 3.653 10 0 EHAEMO c1csc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)c2ncc[nH]2)c1 ZINC000253355592 1029326814 /nfs/dbraw/zinc/32/68/14/1029326814.db2.gz UEIZWUVHQRPWMU-CRAIPNDOSA-N 1 1 338.480 3.819 10 0 EHAEMO C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1n1ccnc1 ZINC000245845413 1029370993 /nfs/dbraw/zinc/37/09/93/1029370993.db2.gz KZGCMYWXZGROOG-UKRRQHHQSA-N 1 1 341.484 3.553 10 0 EHAEMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000245889693 1029427396 /nfs/dbraw/zinc/42/73/96/1029427396.db2.gz CBTGEVUCMRPYJW-INMHGKMJSA-N 1 1 349.544 3.961 10 0 EHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CCC(CC)CC2)C1 ZINC000152373961 1030069162 /nfs/dbraw/zinc/06/91/62/1030069162.db2.gz NNDJJDRUUHINJY-OFLPRAFFSA-N 1 1 332.492 3.761 10 0 EHAEMO Cc1cc(C)c(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(C)c1 ZINC000090592758 1030147619 /nfs/dbraw/zinc/14/76/19/1030147619.db2.gz YDRXKQDJUFMTCA-UHFFFAOYSA-N 1 1 337.467 3.714 10 0 EHAEMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000092787310 1030517253 /nfs/dbraw/zinc/51/72/53/1030517253.db2.gz KBOUKFVZVVFGDI-UHFFFAOYSA-N 1 1 338.908 3.780 10 0 EHAEMO COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788866 1030521140 /nfs/dbraw/zinc/52/11/40/1030521140.db2.gz RHWQLJDAXJXEDE-CQSZACIVSA-N 1 1 348.468 3.514 10 0 EHAEMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000172159513 1030845069 /nfs/dbraw/zinc/84/50/69/1030845069.db2.gz HIBHKRXNWLYJNI-UHFFFAOYSA-N 1 1 336.842 3.598 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)[C@H](C)CC3CCCC3)CC2)[nH+]c1 ZINC000157912822 1030962442 /nfs/dbraw/zinc/96/24/42/1030962442.db2.gz RGRACDKWCWCZQP-MRXNPFEDSA-N 1 1 329.488 3.691 10 0 EHAEMO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000173602855 1031119029 /nfs/dbraw/zinc/11/90/29/1031119029.db2.gz ONNOJOWHPOSBMB-AWEZNQCLSA-N 1 1 342.443 3.848 10 0 EHAEMO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000173602855 1031119047 /nfs/dbraw/zinc/11/90/47/1031119047.db2.gz ONNOJOWHPOSBMB-AWEZNQCLSA-N 1 1 342.443 3.848 10 0 EHAEMO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC=C(c3cccs3)CC2)c1 ZINC000177085081 1031532580 /nfs/dbraw/zinc/53/25/80/1031532580.db2.gz DQXXJIVTSTUWRG-UHFFFAOYSA-N 1 1 345.443 3.587 10 0 EHAEMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1O ZINC000180061647 1031838862 /nfs/dbraw/zinc/83/88/62/1031838862.db2.gz TXYXPWZBOCDSSA-HNNXBMFYSA-N 1 1 338.407 3.922 10 0 EHAEMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185639422 1035506794 /nfs/dbraw/zinc/50/67/94/1035506794.db2.gz VGGPOTPCYIASRT-UHFFFAOYSA-N 1 1 347.890 3.681 10 0 EHAEMO COCCC1(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CCCCC1 ZINC000187309214 1035788404 /nfs/dbraw/zinc/78/84/04/1035788404.db2.gz PFRYBQYYXMMYOL-LJQANCHMSA-N 1 1 333.472 3.753 10 0 EHAEMO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000188921040 1035985853 /nfs/dbraw/zinc/98/58/53/1035985853.db2.gz OKDHWRYOAQACAF-AWEZNQCLSA-N 1 1 342.443 3.848 10 0 EHAEMO Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000188921040 1035985872 /nfs/dbraw/zinc/98/58/72/1035985872.db2.gz OKDHWRYOAQACAF-AWEZNQCLSA-N 1 1 342.443 3.848 10 0 EHAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000188951289 1036018023 /nfs/dbraw/zinc/01/80/23/1036018023.db2.gz BHKGFQDHZPAYCR-INIZCTEOSA-N 1 1 327.815 3.910 10 0 EHAEMO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000188948443 1036018114 /nfs/dbraw/zinc/01/81/14/1036018114.db2.gz OMEDNGZWDAPXGM-SFHVURJKSA-N 1 1 343.423 3.600 10 0 EHAEMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000102800210 1036661445 /nfs/dbraw/zinc/66/14/45/1036661445.db2.gz PQZGIXXYIMNVIK-NSHDSACASA-N 1 1 347.356 3.840 10 0 EHAEMO C[N@H+]1Cc2ccc(N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2C1 ZINC000111372906 1037733618 /nfs/dbraw/zinc/73/36/18/1037733618.db2.gz VLVROEQJWPLYAY-KRWDZBQOSA-N 1 1 341.842 3.503 10 0 EHAEMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1F ZINC000125085759 1038275663 /nfs/dbraw/zinc/27/56/63/1038275663.db2.gz YZKXLRXZRAPXSF-SIFCLUCFSA-N 1 1 345.437 3.921 10 0 EHAEMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1F ZINC000125085759 1038275674 /nfs/dbraw/zinc/27/56/74/1038275674.db2.gz YZKXLRXZRAPXSF-SIFCLUCFSA-N 1 1 345.437 3.921 10 0 EHAEMO C[C@H](CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc(F)c1 ZINC000162686894 1043199407 /nfs/dbraw/zinc/19/94/07/1043199407.db2.gz HTJCAVSTSTXALG-OAHLLOKOSA-N 1 1 343.446 3.534 10 0 EHAEMO FC(F)C(F)(F)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364746841 1127385212 /nfs/dbraw/zinc/38/52/12/1127385212.db2.gz UHQYLDWERQMISL-GOOCMWNKSA-N 1 1 330.369 3.672 10 0 EHAEMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCC(C)=O)CC2 ZINC000102671804 1137873645 /nfs/dbraw/zinc/87/36/45/1137873645.db2.gz OPRGWLKPTVBNIZ-NRFANRHFSA-N 1 1 339.435 3.630 10 0 EHAEMO CC(C)C[NH2+]C[C@H](C)CN(C)Cc1ccc(Br)cc1 ZINC000052371752 214126824 /nfs/dbraw/zinc/12/68/24/214126824.db2.gz NDXUNPNYBRTHSA-AWEZNQCLSA-N 1 1 327.310 3.763 10 0 EHAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1OC ZINC000022931705 202095058 /nfs/dbraw/zinc/09/50/58/202095058.db2.gz BEIWWKIZNFXVAZ-HXUWFJFHSA-N 1 1 339.483 3.577 10 0 EHAEMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCc3ccccc3C2)cc1F ZINC000023128490 202099480 /nfs/dbraw/zinc/09/94/80/202099480.db2.gz YUGWDHUYHJULPZ-UHFFFAOYSA-N 1 1 337.398 3.783 10 0 EHAEMO COc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000032271959 202222240 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Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)OCc2ccccc2)cs1 ZINC000189849884 1140368069 /nfs/dbraw/zinc/36/80/69/1140368069.db2.gz VFZGDGVKZQFGOS-KRWDZBQOSA-N 1 1 330.453 3.722 10 0 EHAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2cccnc2)cs1 ZINC000189932156 1140372604 /nfs/dbraw/zinc/37/26/04/1140372604.db2.gz TYXLLSLZZZSWGO-KRWDZBQOSA-N 1 1 339.468 3.584 10 0 EHAEMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2cccnc2)cs1 ZINC000189932156 1140372612 /nfs/dbraw/zinc/37/26/12/1140372612.db2.gz TYXLLSLZZZSWGO-KRWDZBQOSA-N 1 1 339.468 3.584 10 0 EHAEMO CC(C)C[NH2+]C[C@@H](C)CN(C)Cc1ccc(Br)cc1 ZINC000052371751 214126748 /nfs/dbraw/zinc/12/67/48/214126748.db2.gz NDXUNPNYBRTHSA-CQSZACIVSA-N 1 1 327.310 3.763 10 0 EHAEMO CN[C@@H](CC[N@@H+](C)C1CCCC1)c1ccc(Br)cc1 ZINC000053939317 214205951 /nfs/dbraw/zinc/20/59/51/214205951.db2.gz BDFWOJJKCRDFKJ-INIZCTEOSA-N 1 1 325.294 3.974 10 0 EHAEMO CC(=O)c1ccc(C[N@H+]2CCCC23CCN(c2ccccn2)CC3)cc1 ZINC000072467885 216248021 /nfs/dbraw/zinc/24/80/21/216248021.db2.gz MRBQPEXMPUPHPN-UHFFFAOYSA-N 1 1 349.478 3.919 10 0 EHAEMO O=C1CC[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]2N1Cc1cccc(F)c1 ZINC000020915895 212185900 /nfs/dbraw/zinc/18/59/00/212185900.db2.gz MGCMYBACMRLMMD-APWZRJJASA-N 1 1 330.447 3.581 10 0 EHAEMO CCC(CC)[C@@H](CNCc1cccc(Br)c1)[NH+](C)C ZINC000020548626 212146878 /nfs/dbraw/zinc/14/68/78/212146878.db2.gz ATSWOEQPEFWKIF-MRXNPFEDSA-N 1 1 327.310 3.905 10 0 EHAEMO CC(C)[N@H+]1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@@H]1CCO ZINC000020541142 212145521 /nfs/dbraw/zinc/14/55/21/212145521.db2.gz MJBSMLXWNYFFCG-QFIPXVFZSA-N 1 1 338.495 3.631 10 0 EHAEMO CC(C)N1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1CCO ZINC000020541142 212145523 /nfs/dbraw/zinc/14/55/23/212145523.db2.gz MJBSMLXWNYFFCG-QFIPXVFZSA-N 1 1 338.495 3.631 10 0 EHAEMO CC(C)N1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1CCO ZINC000020541142 212145526 /nfs/dbraw/zinc/14/55/26/212145526.db2.gz MJBSMLXWNYFFCG-QFIPXVFZSA-N 1 1 338.495 3.631 10 0 EHAEMO C[C@H](c1ccccc1)[NH+]1CCN(CC(=O)c2ccc(Cl)s2)CC1 ZINC000090488142 217933474 /nfs/dbraw/zinc/93/34/74/217933474.db2.gz WQKFHJGUZHDTFW-CQSZACIVSA-N 1 1 348.899 3.963 10 0 EHAEMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1)C[C@@H](O)COCc1ccco1 ZINC000169679088 564098168 /nfs/dbraw/zinc/09/81/68/564098168.db2.gz SLLCCLUMFNWVCS-PKOBYXMFSA-N 1 1 331.456 3.766 10 0 EHAEMO CCCCC(=O)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961031 564177158 /nfs/dbraw/zinc/17/71/58/564177158.db2.gz AENQOCKCFNCTDT-KRWDZBQOSA-N 1 1 348.487 3.771 10 0 EHAEMO CCCCC(=O)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961031 564177159 /nfs/dbraw/zinc/17/71/59/564177159.db2.gz AENQOCKCFNCTDT-KRWDZBQOSA-N 1 1 348.487 3.771 10 0 EHAEMO ClC(Cl)(Cl)CC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000184592440 1032302246 /nfs/dbraw/zinc/30/22/46/1032302246.db2.gz QZKDODUIOILXHI-UHFFFAOYSA-N 1 1 345.661 3.521 10 0 EHAEMO ClC(Cl)(Cl)CC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000184592440 1032302256 /nfs/dbraw/zinc/30/22/56/1032302256.db2.gz QZKDODUIOILXHI-UHFFFAOYSA-N 1 1 345.661 3.521 10 0 EHAEMO ClC(Cl)(Cl)CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000184703138 1032319827 /nfs/dbraw/zinc/31/98/27/1032319827.db2.gz FTTPCJQSWJQZHP-JTQLQIEISA-N 1 1 337.682 3.622 10 0 EHAEMO ClC(Cl)(Cl)CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000184703138 1032319832 /nfs/dbraw/zinc/31/98/32/1032319832.db2.gz FTTPCJQSWJQZHP-JTQLQIEISA-N 1 1 337.682 3.622 10 0 EHAEMO O=C1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Cl)c3)no2)C2(CCC2)N1 ZINC000328721375 1019227154 /nfs/dbraw/zinc/22/71/54/1019227154.db2.gz WURSYUZRBCSLKZ-CYBMUJFWSA-N 1 1 346.818 3.521 10 0 EHAEMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000248001960 1021846532 /nfs/dbraw/zinc/84/65/32/1021846532.db2.gz KLWFSBZTGOIACY-TWOQFEAHSA-N 1 1 341.455 3.733 10 0 EHAEMO Clc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000333814615 1022174641 /nfs/dbraw/zinc/17/46/41/1022174641.db2.gz IQTMMDWAFBHOIJ-JONQDZQNSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000333814615 1022174650 /nfs/dbraw/zinc/17/46/50/1022174650.db2.gz IQTMMDWAFBHOIJ-JONQDZQNSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333744771 1023189225 /nfs/dbraw/zinc/18/92/25/1023189225.db2.gz YDDFBGJAZDTXDG-QKPAOTATSA-N 1 1 345.830 3.530 10 0 EHAEMO Clc1ccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333744771 1023189232 /nfs/dbraw/zinc/18/92/32/1023189232.db2.gz YDDFBGJAZDTXDG-QKPAOTATSA-N 1 1 345.830 3.530 10 0 EHAEMO C[C@@H]1C[C@H](c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638206 1023956491 /nfs/dbraw/zinc/95/64/91/1023956491.db2.gz YTBXSHMTHOHTRY-GJRWTSMGSA-N 1 1 333.476 3.925 10 0 EHAEMO C[C@@H]1C[C@H](c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)CC(C)(C)C1 ZINC000329638206 1023956500 /nfs/dbraw/zinc/95/65/00/1023956500.db2.gz YTBXSHMTHOHTRY-GJRWTSMGSA-N 1 1 333.476 3.925 10 0 EHAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3csc4ccccc34)n1)OC2 ZINC000329661826 1024017038 /nfs/dbraw/zinc/01/70/38/1024017038.db2.gz IVNSUPHQJYABKA-KBXCAEBGSA-N 1 1 341.436 3.877 10 0 EHAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4cccs4)o3)C2)c1 ZINC000329159274 1025634128 /nfs/dbraw/zinc/63/41/28/1025634128.db2.gz XMSUAMLXHNZEOL-KGLIPLIRSA-N 1 1 343.456 3.701 10 0 EHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4cccs4)o3)C2)c1 ZINC000329159274 1025634138 /nfs/dbraw/zinc/63/41/38/1025634138.db2.gz XMSUAMLXHNZEOL-KGLIPLIRSA-N 1 1 343.456 3.701 10 0 EHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2cc(C)oc2C)C1 ZINC000152562004 1026340623 /nfs/dbraw/zinc/34/06/23/1026340623.db2.gz BLXQBWMQZCGPNR-HOCLYGCPSA-N 1 1 344.459 3.763 10 0 EHAEMO Cc1cc(F)cc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000152791724 1026722434 /nfs/dbraw/zinc/72/24/34/1026722434.db2.gz UBYBZOGITCHSMZ-UHFFFAOYSA-N 1 1 342.418 3.628 10 0 EHAEMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1O ZINC000246131770 1027796283 /nfs/dbraw/zinc/79/62/83/1027796283.db2.gz KUYVFJVYQSWJAP-QZTJIDSGSA-N 1 1 345.414 3.628 10 0 EHAEMO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)n1 ZINC000246191363 1027933807 /nfs/dbraw/zinc/93/38/07/1027933807.db2.gz WGNCYKLVEPTDRZ-CRAIPNDOSA-N 1 1 345.874 3.511 10 0 EHAEMO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246244796 1028060887 /nfs/dbraw/zinc/06/08/87/1028060887.db2.gz DRNKNCXFYQDKOQ-LQWHRVPQSA-N 1 1 340.511 3.964 10 0 EHAEMO C[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1n1ccnc1 ZINC000246273427 1028134757 /nfs/dbraw/zinc/13/47/57/1028134757.db2.gz MSRDVEMFPSLOKM-DZGCQCFKSA-N 1 1 328.441 3.683 10 0 EHAEMO C[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1n1ccnc1 ZINC000246273427 1028134766 /nfs/dbraw/zinc/13/47/66/1028134766.db2.gz MSRDVEMFPSLOKM-DZGCQCFKSA-N 1 1 328.441 3.683 10 0 EHAEMO CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000068355296 1028395945 /nfs/dbraw/zinc/39/59/45/1028395945.db2.gz CQTUUTOLKJVKAZ-DLBZAZTESA-N 1 1 343.496 3.542 10 0 EHAEMO Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)C[N@H+](C)C3)cc1F ZINC000194514671 1028538782 /nfs/dbraw/zinc/53/87/82/1028538782.db2.gz RWULLQAPBPDWSX-ZDUSSCGKSA-N 1 1 327.403 3.519 10 0 EHAEMO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246474757 1028599205 /nfs/dbraw/zinc/59/92/05/1028599205.db2.gz GDWNIVXUDDGGFM-CSMYWGQOSA-N 1 1 345.418 3.735 10 0 EHAEMO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246474757 1028599213 /nfs/dbraw/zinc/59/92/13/1028599213.db2.gz GDWNIVXUDDGGFM-CSMYWGQOSA-N 1 1 345.418 3.735 10 0 EHAEMO CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195352159 1028634429 /nfs/dbraw/zinc/63/44/29/1028634429.db2.gz RXPCIFRRBDGHJK-OAHLLOKOSA-N 1 1 329.469 3.524 10 0 EHAEMO CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195352159 1028634440 /nfs/dbraw/zinc/63/44/40/1028634440.db2.gz RXPCIFRRBDGHJK-OAHLLOKOSA-N 1 1 329.469 3.524 10 0 EHAEMO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)Nc1ccc(Cl)cc1 ZINC000195351623 1028635680 /nfs/dbraw/zinc/63/56/80/1028635680.db2.gz ZWFWOPZEFUIJQE-LBPRGKRZSA-N 1 1 335.860 3.615 10 0 EHAEMO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)Nc1ccc(Cl)cc1 ZINC000195351623 1028635695 /nfs/dbraw/zinc/63/56/95/1028635695.db2.gz ZWFWOPZEFUIJQE-LBPRGKRZSA-N 1 1 335.860 3.615 10 0 EHAEMO Cc1ccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)cc1 ZINC000246589894 1028665498 /nfs/dbraw/zinc/66/54/98/1028665498.db2.gz CPGFOYKSTVNISC-SJORKVTESA-N 1 1 346.521 3.825 10 0 EHAEMO Cc1ccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)cc1 ZINC000246589894 1028665506 /nfs/dbraw/zinc/66/55/06/1028665506.db2.gz CPGFOYKSTVNISC-SJORKVTESA-N 1 1 346.521 3.825 10 0 EHAEMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)s1 ZINC000246703358 1028680268 /nfs/dbraw/zinc/68/02/68/1028680268.db2.gz MZSMVHNHWUVVMF-GUYCJALGSA-N 1 1 343.496 3.543 10 0 EHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246916559 1028710697 /nfs/dbraw/zinc/71/06/97/1028710697.db2.gz GNDPKHNAJVMRQH-IUODEOHRSA-N 1 1 341.377 3.653 10 0 EHAEMO CC[N@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245445243 1028730820 /nfs/dbraw/zinc/73/08/20/1028730820.db2.gz YRYHXUWGUGFVOD-XJKSGUPXSA-N 1 1 348.878 3.552 10 0 EHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000247088593 1028743772 /nfs/dbraw/zinc/74/37/72/1028743772.db2.gz PHDWCTWGBAPHON-IAQYHMDHSA-N 1 1 342.270 3.941 10 0 EHAEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)C1 ZINC000247126801 1028747374 /nfs/dbraw/zinc/74/73/74/1028747374.db2.gz ZDEOZJZMBYTOHF-IJEWVQPXSA-N 1 1 347.330 3.683 10 0 EHAEMO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000247277957 1028772180 /nfs/dbraw/zinc/77/21/80/1028772180.db2.gz XCUJOKRNGGTWSG-GUYCJALGSA-N 1 1 343.496 3.543 10 0 EHAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247927258 1028830611 /nfs/dbraw/zinc/83/06/11/1028830611.db2.gz BSUMOBZGZZWLOR-IUODEOHRSA-N 1 1 341.377 3.653 10 0 EHAEMO CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000248397342 1028896356 /nfs/dbraw/zinc/89/63/56/1028896356.db2.gz RKXDRSBWPGRPDZ-MJGOQNOKSA-N 1 1 343.515 3.769 10 0 EHAEMO C[C@H](C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1cccc(Cl)c1 ZINC000249500156 1029005198 /nfs/dbraw/zinc/00/51/98/1029005198.db2.gz HLMQKOBXCQKQSH-GDBMZVCRSA-N 1 1 344.890 3.861 10 0 EHAEMO CCCCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245703086 1029055264 /nfs/dbraw/zinc/05/52/64/1029055264.db2.gz NSIKNRDCCPEHLN-DYVFJYSZSA-N 1 1 326.843 3.778 10 0 EHAEMO CCCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245703087 1029057771 /nfs/dbraw/zinc/05/77/71/1029057771.db2.gz NSIKNRDCCPEHLN-GUYCJALGSA-N 1 1 326.843 3.778 10 0 EHAEMO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000251891531 1029168679 /nfs/dbraw/zinc/16/86/79/1029168679.db2.gz XEXIHENJMZQSRF-UXPWSPDFSA-N 1 1 338.499 3.514 10 0 EHAEMO C[C@H]1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)[C@@H](c2ccco2)C1 ZINC000245790298 1029303286 /nfs/dbraw/zinc/30/32/86/1029303286.db2.gz WACAWWRJIOMPJN-GOEBONIOSA-N 1 1 347.484 3.546 10 0 EHAEMO Cc1csc(C2CC[NH+](CC(=O)Nc3ccccc3C)CC2)n1 ZINC000156755246 1030000161 /nfs/dbraw/zinc/00/01/61/1030000161.db2.gz MIXHQCKHJDNMOG-UHFFFAOYSA-N 1 1 329.469 3.578 10 0 EHAEMO CSc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000156772282 1030008600 /nfs/dbraw/zinc/00/86/00/1030008600.db2.gz RJQXJWLQZNRXMX-UHFFFAOYSA-N 1 1 344.484 3.629 10 0 EHAEMO CCCc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000156865305 1030082329 /nfs/dbraw/zinc/08/23/29/1030082329.db2.gz NQLCLLLGTGJBKB-UHFFFAOYSA-N 1 1 340.471 3.859 10 0 EHAEMO CC(C)c1nnc(CNc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)n1C ZINC000171221909 1030749347 /nfs/dbraw/zinc/74/93/47/1030749347.db2.gz XURMOQWMAOIYBD-OAHLLOKOSA-N 1 1 341.503 3.911 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)[C@@H](C)CC3CCCC3)CC2)[nH+]c1 ZINC000157912667 1030963731 /nfs/dbraw/zinc/96/37/31/1030963731.db2.gz RGRACDKWCWCZQP-INIZCTEOSA-N 1 1 329.488 3.691 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000116930236 1031476353 /nfs/dbraw/zinc/47/63/53/1031476353.db2.gz COQIQINHSRJXLW-UHFFFAOYSA-N 1 1 344.846 3.834 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCC[C@H](C)C3)CC2)[nH+]1 ZINC000117057325 1031547057 /nfs/dbraw/zinc/54/70/57/1031547057.db2.gz UXNNIXRJXJWBJS-YJBOKZPZSA-N 1 1 344.503 3.579 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCC(C)(C)C3)CC2)[nH+]1 ZINC000178930000 1031722195 /nfs/dbraw/zinc/72/21/95/1031722195.db2.gz CXYCJEZWHAZFSN-MRXNPFEDSA-N 1 1 329.488 3.691 10 0 EHAEMO O[C@H](C[C@H]1CCC[N@H+]1Cc1cn2ccsc2n1)c1ccc(F)cc1 ZINC000179160859 1031755654 /nfs/dbraw/zinc/75/56/54/1031755654.db2.gz VLFPQJSTBDRLDY-IAGOWNOFSA-N 1 1 345.443 3.623 10 0 EHAEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000159094566 1031868064 /nfs/dbraw/zinc/86/80/64/1031868064.db2.gz WLAKUIJKAQPHRU-INIZCTEOSA-N 1 1 349.544 3.607 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)N([C@@H](C)C(C)C)C3CC3)CC2)[nH+]c1 ZINC000086403681 1034077582 /nfs/dbraw/zinc/07/75/82/1034077582.db2.gz OYPDFXPIXSSWDN-INIZCTEOSA-N 1 1 344.503 3.577 10 0 EHAEMO 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O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nnc(-c3ccc(Cl)cc3)o1)CC2 ZINC000128388937 1022427666 /nfs/dbraw/zinc/42/76/66/1022427666.db2.gz GZFKRFNNMCKZLI-RDTXWAMCSA-N 1 1 347.846 3.517 10 0 EHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000090224649 1023257498 /nfs/dbraw/zinc/25/74/98/1023257498.db2.gz AYYZPXPFPZLYNF-IRXDYDNUSA-N 1 1 326.444 3.542 10 0 EHAEMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc4c(c3)CCC=C4)n1)OC2 ZINC000329615187 1026075942 /nfs/dbraw/zinc/07/59/42/1026075942.db2.gz SFBAAUMPDVXWSJ-PXNSSMCTSA-N 1 1 337.423 3.622 10 0 EHAEMO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000127634453 1027333974 /nfs/dbraw/zinc/33/39/74/1027333974.db2.gz BLHPRQQYOZXGBQ-HNNXBMFYSA-N 1 1 334.508 3.599 10 0 EHAEMO Cc1cnn(CCCCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246411541 1028477086 /nfs/dbraw/zinc/47/70/86/1028477086.db2.gz CAMCHUSEPNRNKF-ZWKOTPCHSA-N 1 1 331.460 3.543 10 0 EHAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)Nc1cc(Cl)ccc1F ZINC000194514029 1028539126 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EHAEMO COCCC1(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)CCCCC1 ZINC000187234165 1035798005 /nfs/dbraw/zinc/79/80/05/1035798005.db2.gz VDKHBDBRLYCEOM-IBGZPJMESA-N 1 1 348.535 3.594 10 0 EHAEMO COCCOc1cccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189939824 1036164706 /nfs/dbraw/zinc/16/47/06/1036164706.db2.gz ORMVYYDZYNIYLQ-SFHVURJKSA-N 1 1 332.469 3.814 10 0 EHAEMO COCCOc1cccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189939824 1036164712 /nfs/dbraw/zinc/16/47/12/1036164712.db2.gz ORMVYYDZYNIYLQ-SFHVURJKSA-N 1 1 332.469 3.814 10 0 EHAEMO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cn1 ZINC000191300515 1036360445 /nfs/dbraw/zinc/36/04/45/1036360445.db2.gz BIKLKCHXWVCTTK-INIZCTEOSA-N 1 1 330.501 3.762 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)C(C)(C)C3CCCC3)CC2)[nH+]c1 ZINC000123547598 1038035039 /nfs/dbraw/zinc/03/50/39/1038035039.db2.gz CHCZZOOTTMCZNL-UHFFFAOYSA-N 1 1 329.488 3.691 10 0 EHAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000162373491 1042724490 /nfs/dbraw/zinc/72/44/90/1042724490.db2.gz KANHQWOYNJJSAE-UHFFFAOYSA-N 1 1 333.435 3.668 10 0 EHAEMO C[N@H+](Cc1cc(Br)cs1)C[C@H]1CCCCC[C@@H]1O ZINC000053885868 214202655 /nfs/dbraw/zinc/20/26/55/214202655.db2.gz ALFOLWGQFKZZAX-RISCZKNCSA-N 1 1 332.307 3.884 10 0 EHAEMO CC(C)C[N@@H+](CC[C@H](N)c1ccccc1Br)C1CC1 ZINC000054020041 214211178 /nfs/dbraw/zinc/21/11/78/214211178.db2.gz CMXXHRDUYWHDPE-INIZCTEOSA-N 1 1 325.294 3.959 10 0 EHAEMO Cc1cc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)c(C)n1-n1cnnc1 ZINC000055200137 214288334 /nfs/dbraw/zinc/28/83/34/214288334.db2.gz XYTGBRGNUILLQW-MRXNPFEDSA-N 1 1 341.459 3.648 10 0 EHAEMO CC[NH2+][C@H](c1ccc(Br)o1)c1cc(F)ccc1OC ZINC000035554315 213037365 /nfs/dbraw/zinc/03/73/65/213037365.db2.gz BYUIKWYMXUFUPP-AWEZNQCLSA-N 1 1 328.181 3.889 10 0 EHAEMO COc1ccc(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000019732090 212058003 /nfs/dbraw/zinc/05/80/03/212058003.db2.gz IFSVAIMDMJNPPC-NRFANRHFSA-N 1 1 336.479 3.718 10 0 EHAEMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000019732090 212058007 /nfs/dbraw/zinc/05/80/07/212058007.db2.gz IFSVAIMDMJNPPC-NRFANRHFSA-N 1 1 336.479 3.718 10 0 EHAEMO COc1ccc(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000019732090 212058008 /nfs/dbraw/zinc/05/80/08/212058008.db2.gz IFSVAIMDMJNPPC-NRFANRHFSA-N 1 1 336.479 3.718 10 0 EHAEMO C[N@@H+]([C@@H](CN)c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000019503227 212035519 /nfs/dbraw/zinc/03/55/19/212035519.db2.gz IFHMVYJJLQMDEO-HNNXBMFYSA-N 1 1 329.257 3.853 10 0 EHAEMO CN([C@@H](C[NH3+])c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000019503227 212035521 /nfs/dbraw/zinc/03/55/21/212035521.db2.gz IFHMVYJJLQMDEO-HNNXBMFYSA-N 1 1 329.257 3.853 10 0 EHAEMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000012298822 211337749 /nfs/dbraw/zinc/33/77/49/211337749.db2.gz CWAARSDBESEZDX-QOKNQOGYSA-N 1 1 342.464 3.588 10 0 EHAEMO C[C@@H]1C[N@H+]2[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@@]1(C)[C@H]1CC[C@H]3CCC=C3[C@@H]12 ZINC000096023807 564051229 /nfs/dbraw/zinc/05/12/29/564051229.db2.gz NGQSEZXJVMCXSC-BPGMYFSDSA-N 1 1 341.495 3.927 10 0 biogenic EHAEMO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](Nc3ccc(N)nc3)CC2)s1 ZINC000328646634 564137206 /nfs/dbraw/zinc/13/72/06/564137206.db2.gz STTVOLSSWXHSNS-CQSZACIVSA-N 1 1 345.516 3.541 10 0 EHAEMO CC(C)c1cnc(C[N@H+]2CCC[C@@H](Nc3ccc(N)nc3)CC2)s1 ZINC000328646634 564137207 /nfs/dbraw/zinc/13/72/07/564137207.db2.gz STTVOLSSWXHSNS-CQSZACIVSA-N 1 1 345.516 3.541 10 0 EHAEMO c1csc(-c2nc(C[N@@H+]3CCCN(c4ccccn4)CC3)co2)c1 ZINC000183839210 1032232606 /nfs/dbraw/zinc/23/26/06/1032232606.db2.gz PCPQFOVWNOSNNK-UHFFFAOYSA-N 1 1 340.452 3.510 10 0 EHAEMO c1csc(-c2nc(C[N@H+]3CCCN(c4ccccn4)CC3)co2)c1 ZINC000183839210 1032232621 /nfs/dbraw/zinc/23/26/21/1032232621.db2.gz PCPQFOVWNOSNNK-UHFFFAOYSA-N 1 1 340.452 3.510 10 0 EHAEMO C[C@@H]1C[C@@H](C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC(C)(C)C1 ZINC000184242297 1032276824 /nfs/dbraw/zinc/27/68/24/1032276824.db2.gz WYIITWJHLWEEKO-NVXWUHKLSA-N 1 1 331.504 3.664 10 0 EHAEMO COc1c(C)cc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2F)cc1C ZINC000101566491 1022510934 /nfs/dbraw/zinc/51/09/34/1022510934.db2.gz MFJGITXOEXAXFR-UHFFFAOYSA-N 1 1 348.393 3.661 10 0 EHAEMO COc1c(C)cc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)cc1C ZINC000101566491 1022510950 /nfs/dbraw/zinc/51/09/50/1022510950.db2.gz MFJGITXOEXAXFR-UHFFFAOYSA-N 1 1 348.393 3.661 10 0 EHAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000121844851 1025910650 /nfs/dbraw/zinc/91/06/50/1025910650.db2.gz BYAKGQHNFJDBQA-APWZRJJASA-N 1 1 343.515 3.625 10 0 EHAEMO Cc1nc(C[NH+]2CCC(CNc3nc4ccccc4[nH]3)CC2)cs1 ZINC000301890459 1026981107 /nfs/dbraw/zinc/98/11/07/1026981107.db2.gz QWZULNMNBFUFNI-UHFFFAOYSA-N 1 1 341.484 3.652 10 0 EHAEMO CC[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C)sc2C1 ZINC000127114146 1027276132 /nfs/dbraw/zinc/27/61/32/1027276132.db2.gz BQXJICYMHNWMGI-CABCVRRESA-N 1 1 341.480 3.572 10 0 EHAEMO CC[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C)sc2C1 ZINC000127114146 1027276144 /nfs/dbraw/zinc/27/61/44/1027276144.db2.gz BQXJICYMHNWMGI-CABCVRRESA-N 1 1 341.480 3.572 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)c3cccc(C)c3Cl)CC2)[nH+]1 ZINC000133147848 1028002799 /nfs/dbraw/zinc/00/27/99/1028002799.db2.gz BVCVBNHRPJGRLU-UHFFFAOYSA-N 1 1 343.858 3.751 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)c3cc(C)c(F)c(C)c3)CC2)[nH+]c1 ZINC000134741621 1028147415 /nfs/dbraw/zinc/14/74/15/1028147415.db2.gz ZRGDGKGGADOMLS-UHFFFAOYSA-N 1 1 341.430 3.545 10 0 EHAEMO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105246754 1028183063 /nfs/dbraw/zinc/18/30/63/1028183063.db2.gz SWYXOQKQHUDFNJ-OAHLLOKOSA-N 1 1 347.528 3.738 10 0 EHAEMO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(Cl)c1 ZINC000195352509 1028634397 /nfs/dbraw/zinc/63/43/97/1028634397.db2.gz PCOASXJDWIPDGI-GFCCVEGCSA-N 1 1 335.860 3.615 10 0 EHAEMO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(Cl)c1 ZINC000195352509 1028634405 /nfs/dbraw/zinc/63/44/05/1028634405.db2.gz PCOASXJDWIPDGI-GFCCVEGCSA-N 1 1 335.860 3.615 10 0 EHAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000246669623 1028674440 /nfs/dbraw/zinc/67/44/40/1028674440.db2.gz MAMXLBDREDYPTP-WFASDCNBSA-N 1 1 332.444 3.597 10 0 EHAEMO O[C@H](C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1F)c1ccc(F)cc1 ZINC000246802623 1028693982 /nfs/dbraw/zinc/69/39/82/1028693982.db2.gz MWDJUOMREHVMNP-PWIZWCRZSA-N 1 1 347.405 3.586 10 0 EHAEMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000246825563 1028700463 /nfs/dbraw/zinc/70/04/63/1028700463.db2.gz RLNCEUCBBOKCLZ-APWZRJJASA-N 1 1 335.455 3.665 10 0 EHAEMO c1csc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000246856959 1028701711 /nfs/dbraw/zinc/70/17/11/1028701711.db2.gz PKHVEAFKEQQCQL-ZWKOTPCHSA-N 1 1 327.497 3.630 10 0 EHAEMO Clc1ccccc1-c1cnc(C[NH+]2CCC(C3OCCO3)CC2)o1 ZINC000075684697 1028733832 /nfs/dbraw/zinc/73/38/32/1028733832.db2.gz UULRZMWURAMCBZ-UHFFFAOYSA-N 1 1 348.830 3.580 10 0 EHAEMO C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccc(Cl)cc1 ZINC000245542185 1028791015 /nfs/dbraw/zinc/79/10/15/1028791015.db2.gz RBGJSFRHCSIUDB-VDZJLULYSA-N 1 1 348.918 3.851 10 0 EHAEMO C[C@@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@H]1n1ccnc1 ZINC000247736758 1028812764 /nfs/dbraw/zinc/81/27/64/1028812764.db2.gz VPZYFPOBXGJZSE-CXAGYDPISA-N 1 1 343.862 3.506 10 0 EHAEMO C[C@@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@H]1n1ccnc1 ZINC000247736758 1028812779 /nfs/dbraw/zinc/81/27/79/1028812779.db2.gz VPZYFPOBXGJZSE-CXAGYDPISA-N 1 1 343.862 3.506 10 0 EHAEMO c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3C[C@H]3CCC=CO3)n2)cc1 ZINC000249041569 1028979625 /nfs/dbraw/zinc/97/96/25/1028979625.db2.gz UXZYUBDGQWTGAT-SJORKVTESA-N 1 1 325.412 3.956 10 0 EHAEMO C[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1n1ccnc1 ZINC000252663722 1029223225 /nfs/dbraw/zinc/22/32/25/1029223225.db2.gz DPRFEGPJMKUACG-OXJNMPFZSA-N 1 1 348.450 3.558 10 0 EHAEMO Cc1csc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000156705685 1029960227 /nfs/dbraw/zinc/96/02/27/1029960227.db2.gz KVHUNBDXOPJJPW-CYBMUJFWSA-N 1 1 347.459 3.797 10 0 EHAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccn1Cc1cccs1 ZINC000091892328 1030332387 /nfs/dbraw/zinc/33/23/87/1030332387.db2.gz CIFXXUDFMVCQGU-AEFFLSMTSA-N 1 1 329.513 3.657 10 0 EHAEMO FC(F)SCc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)o1 ZINC000093691595 1030661296 /nfs/dbraw/zinc/66/12/96/1030661296.db2.gz QNEDIRPILVSAPZ-CQSZACIVSA-N 1 1 340.395 3.784 10 0 EHAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc4ccsc43)n1)OC2 ZINC000329552325 1031097557 /nfs/dbraw/zinc/09/75/57/1031097557.db2.gz CZENOWDZCMTXOU-KBXCAEBGSA-N 1 1 341.436 3.877 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(C)cc3F)CC2)[nH+]c1 ZINC000174436315 1031218592 /nfs/dbraw/zinc/21/85/92/1031218592.db2.gz GBNJWCUJRUXOJH-UHFFFAOYSA-N 1 1 342.418 3.628 10 0 EHAEMO C[N@H+]1Cc2ccc(N[C@H]3CCN(c4cccc(Cl)c4)C3=O)cc2C1 ZINC000175210673 1031310530 /nfs/dbraw/zinc/31/05/30/1031310530.db2.gz GNMJHAGTXNHOGD-SFHVURJKSA-N 1 1 341.842 3.503 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3C(C)C)CC2)[nH+]1 ZINC000117498805 1031717140 /nfs/dbraw/zinc/71/71/40/1031717140.db2.gz KLBKXANTPLPRKH-SFHVURJKSA-N 1 1 344.503 3.579 10 0 EHAEMO COc1ccc(F)c(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000179798087 1037927904 /nfs/dbraw/zinc/92/79/04/1037927904.db2.gz CFOAAZRVELRONR-KDOFPFPSSA-N 1 1 329.419 3.552 10 0 EHAEMO CO[C@H](C)c1nsc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310358779 1039810682 /nfs/dbraw/zinc/81/06/82/1039810682.db2.gz JDNYSCWWDVOYIY-KDOFPFPSSA-N 1 1 346.500 3.570 10 0 EHAEMO FC(F)COCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000189671929 1040274611 /nfs/dbraw/zinc/27/46/11/1040274611.db2.gz OXKNPPKSXGHWMJ-HNNXBMFYSA-N 1 1 335.398 3.538 10 0 EHAEMO CN[C@@H](CC[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000053937589 214205892 /nfs/dbraw/zinc/20/58/92/214205892.db2.gz VJCXXUHOMGFBSR-BBRMVZONSA-N 1 1 325.294 3.974 10 0 EHAEMO CN[C@@H](CC[N@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000053937589 214205896 /nfs/dbraw/zinc/20/58/96/214205896.db2.gz VJCXXUHOMGFBSR-BBRMVZONSA-N 1 1 325.294 3.974 10 0 EHAEMO CCCN[C@@H](CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000053937401 214206421 /nfs/dbraw/zinc/20/64/21/214206421.db2.gz JCNIHKMFXGMSGM-INIZCTEOSA-N 1 1 325.294 3.976 10 0 EHAEMO CCC[NH2+][C@@H](CCN1CCCC1)c1cccc(Br)c1 ZINC000053937401 214206424 /nfs/dbraw/zinc/20/64/24/214206424.db2.gz JCNIHKMFXGMSGM-INIZCTEOSA-N 1 1 325.294 3.976 10 0 EHAEMO COc1cccc([C@H]2CC[N@H+]2Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000067675085 215181936 /nfs/dbraw/zinc/18/19/36/215181936.db2.gz DRYZTOPCSNVWJZ-HXUWFJFHSA-N 1 1 334.419 3.792 10 0 EHAEMO Cc1ccccc1C[N@@H+](CC(C)C)C[C@H](O)COc1ccccc1 ZINC000036099810 213065789 /nfs/dbraw/zinc/06/57/89/213065789.db2.gz QIJBVAXUGBCRMI-FQEVSTJZSA-N 1 1 327.468 3.893 10 0 EHAEMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COCc2ccco2)cc1 ZINC000036094932 213063920 /nfs/dbraw/zinc/06/39/20/213063920.db2.gz BQTLIKAVWPRLEU-IBGZPJMESA-N 1 1 331.456 3.624 10 0 EHAEMO C[C@@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)s1 ZINC000216409877 241189959 /nfs/dbraw/zinc/18/99/59/241189959.db2.gz BDRQXZFTUJUWOR-WOPDTQHZSA-N 1 1 329.307 3.788 10 0 EHAEMO C[C@@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Br)s1 ZINC000216409877 241189966 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COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC000177422714 1031538758 /nfs/dbraw/zinc/53/87/58/1031538758.db2.gz UGVXARXVNGOKCX-AWEZNQCLSA-N 1 1 338.407 3.835 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)[nH+]1 ZINC000117057571 1031546794 /nfs/dbraw/zinc/54/67/94/1031546794.db2.gz ICLDUYFNECBGGQ-YJBOKZPZSA-N 1 1 344.503 3.579 10 0 EHAEMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(O)c(OC)c1)CCC2 ZINC000180089779 1031840191 /nfs/dbraw/zinc/84/01/91/1031840191.db2.gz SYWPGZLWALQUMC-AWEZNQCLSA-N 1 1 332.469 3.929 10 0 EHAEMO Cc1ccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccccc3)CCO2)o1 ZINC000180644144 1031894746 /nfs/dbraw/zinc/89/47/46/1031894746.db2.gz PEPUIQFTQDDBRX-LJQANCHMSA-N 1 1 337.423 3.562 10 0 EHAEMO Cc1ccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccccc3)CCO2)o1 ZINC000180644144 1031894761 /nfs/dbraw/zinc/89/47/61/1031894761.db2.gz PEPUIQFTQDDBRX-LJQANCHMSA-N 1 1 337.423 3.562 10 0 EHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000105895825 1037604710 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CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2sccc2C)C1 ZINC000012436351 211380531 /nfs/dbraw/zinc/38/05/31/211380531.db2.gz ZGKWMVRHBLIBOV-QGZVFWFLSA-N 1 1 343.496 3.578 10 0 EHAEMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000182563598 1032109910 /nfs/dbraw/zinc/10/99/10/1032109910.db2.gz DZZPJLUIRAZTAX-QAPCUYQASA-N 1 1 342.439 3.611 10 0 EHAEMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000248001958 1021845582 /nfs/dbraw/zinc/84/55/82/1021845582.db2.gz KLWFSBZTGOIACY-FTRWYGJKSA-N 1 1 341.455 3.733 10 0 EHAEMO C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(n2cncn2)CC1 ZINC000151691857 1024416198 /nfs/dbraw/zinc/41/61/98/1024416198.db2.gz WJJMOTGUPDQTOQ-NSHDSACASA-N 1 1 325.243 3.983 10 0 EHAEMO C[C@@H](CCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000152126479 1025209730 /nfs/dbraw/zinc/20/97/30/1025209730.db2.gz LGXAWTNLDODSGU-KRWDZBQOSA-N 1 1 339.483 3.785 10 0 EHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000122907332 1026853651 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Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000195355316 1028599361 /nfs/dbraw/zinc/59/93/61/1028599361.db2.gz ITHHOPPWIGLTLL-ZDUSSCGKSA-N 1 1 344.415 3.712 10 0 EHAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(Cl)c2Cl)C1 ZINC000246521462 1028651676 /nfs/dbraw/zinc/65/16/76/1028651676.db2.gz FTFOVBNWBSVLBN-SMDDNHRTSA-N 1 1 327.255 3.550 10 0 EHAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2sccc2-c2ccccc2)C1 ZINC000246574723 1028662038 /nfs/dbraw/zinc/66/20/38/1028662038.db2.gz VFCGHMNQXWRMCN-FUHWJXTLSA-N 1 1 340.492 3.971 10 0 EHAEMO Clc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c2ncccc12 ZINC000246806602 1028693592 /nfs/dbraw/zinc/69/35/92/1028693592.db2.gz JGZYHJRRLHDQIY-CVEARBPZSA-N 1 1 334.872 3.595 10 0 EHAEMO Cc1nc(Cl)ccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246733642 1028714876 /nfs/dbraw/zinc/71/48/76/1028714876.db2.gz OVDDYVATYISYDS-GDBMZVCRSA-N 1 1 349.906 3.770 10 0 EHAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000247126768 1028749603 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EHAEMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246083555 1029636920 /nfs/dbraw/zinc/63/69/20/1029636920.db2.gz FVELRUYKZRTICK-IAGOWNOFSA-N 1 1 332.513 3.856 10 0 EHAEMO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(n2cncn2)CC1 ZINC000156650101 1029915970 /nfs/dbraw/zinc/91/59/70/1029915970.db2.gz OMCSLNFVYBYSTG-NSHDSACASA-N 1 1 325.243 3.983 10 0 EHAEMO Cc1csc(C2CC[NH+](CC(=O)N[C@H](C)c3ccccc3)CC2)n1 ZINC000156741422 1029988185 /nfs/dbraw/zinc/98/81/85/1029988185.db2.gz CCSIPHIHDMOIRJ-OAHLLOKOSA-N 1 1 343.496 3.508 10 0 EHAEMO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000171691975 1030806117 /nfs/dbraw/zinc/80/61/17/1030806117.db2.gz VFWCZKXMMYKDJN-IBGZPJMESA-N 1 1 345.462 3.547 10 0 EHAEMO O=C1O[C@@H](C[N@@H+]2CC=C(c3cccs3)CC2)CN1c1ccccc1 ZINC000172827453 1031005403 /nfs/dbraw/zinc/00/54/03/1031005403.db2.gz LVJMSFMHYYHXOJ-KRWDZBQOSA-N 1 1 340.448 3.863 10 0 EHAEMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc4ccsc43)n1)OC2 ZINC000329552330 1031096298 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343.427 3.515 10 0 EHAEMO Cc1oc2ccccc2c1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000185908694 1035537135 /nfs/dbraw/zinc/53/71/35/1035537135.db2.gz BZOPKOMWWSNGQT-UHFFFAOYSA-N 1 1 337.423 3.570 10 0 EHAEMO Fc1ccc(COC2CC[NH+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000179741645 1037909607 /nfs/dbraw/zinc/90/96/07/1037909607.db2.gz BBEFTXLMBUVPOP-UHFFFAOYSA-N 1 1 345.443 3.716 10 0 EHAEMO c1[nH]c([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000119962517 1037917470 /nfs/dbraw/zinc/91/74/70/1037917470.db2.gz FARYGHPLTZUTKU-IBGZPJMESA-N 1 1 338.499 3.742 10 0 EHAEMO c1[nH]c([C@H]2CCCN(CCC[NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000119962517 1037917485 /nfs/dbraw/zinc/91/74/85/1037917485.db2.gz FARYGHPLTZUTKU-IBGZPJMESA-N 1 1 338.499 3.742 10 0 EHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000106225601 1041631401 /nfs/dbraw/zinc/63/14/01/1041631401.db2.gz PEFXVDSUEXDQFS-WMLDXEAASA-N 1 1 346.862 3.509 10 0 EHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)C2)c1 ZINC000106225601 1041631410 /nfs/dbraw/zinc/63/14/10/1041631410.db2.gz PEFXVDSUEXDQFS-WMLDXEAASA-N 1 1 346.862 3.509 10 0 EHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000106225413 1041631511 /nfs/dbraw/zinc/63/15/11/1041631511.db2.gz OSJSAIJZZDBQAG-WMLDXEAASA-N 1 1 346.862 3.509 10 0 EHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000106225413 1041631518 /nfs/dbraw/zinc/63/15/18/1041631518.db2.gz OSJSAIJZZDBQAG-WMLDXEAASA-N 1 1 346.862 3.509 10 0 EHAEMO COCCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)Cc1ccccc1 ZINC000036097385 213065520 /nfs/dbraw/zinc/06/55/20/213065520.db2.gz PGXWYVZQWVUCTB-JOCHJYFZSA-N 1 1 341.495 3.746 10 0 EHAEMO C[C@H]1CN(CCCCO)CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000023478453 212379501 /nfs/dbraw/zinc/37/95/01/212379501.db2.gz KNCBCVCTBDGVSV-IBGZPJMESA-N 1 1 338.495 3.555 10 0 EHAEMO C[C@H]1C[N@H+](CCCCO)CCN1C(c1ccccc1)c1ccccc1 ZINC000023478453 212379504 /nfs/dbraw/zinc/37/95/04/212379504.db2.gz KNCBCVCTBDGVSV-IBGZPJMESA-N 1 1 338.495 3.555 10 0 EHAEMO C[C@H]1C[N@@H+](CCCCO)CCN1C(c1ccccc1)c1ccccc1 ZINC000023478453 212379506 /nfs/dbraw/zinc/37/95/06/212379506.db2.gz KNCBCVCTBDGVSV-IBGZPJMESA-N 1 1 338.495 3.555 10 0 EHAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(OC)cc1)Cc1cccnc1 ZINC000022931714 212335691 /nfs/dbraw/zinc/33/56/91/212335691.db2.gz RULLZDBUJOKZBH-HXUWFJFHSA-N 1 1 339.483 3.577 10 0 EHAEMO Cc1cc(C)c(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000011815138 211250788 /nfs/dbraw/zinc/25/07/88/211250788.db2.gz LHQPTDRVKKCVDE-IBGZPJMESA-N 1 1 340.467 3.676 10 0 EHAEMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)o1 ZINC000075612298 564089874 /nfs/dbraw/zinc/08/98/74/564089874.db2.gz OYYIPGNHJSBOHP-CJNGLKHVSA-N 1 1 337.427 3.709 10 0 EHAEMO C[N@H+]1C[C@H](NCc2ccc(Cl)cc2Br)C(C)(C)C1 ZINC000675075786 564113220 /nfs/dbraw/zinc/11/32/20/564113220.db2.gz QUJVOPWNOXEUJQ-ZDUSSCGKSA-N 1 1 331.685 3.532 10 0 EHAEMO CN1C[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C(C)(C)C1 ZINC000675075786 564113221 /nfs/dbraw/zinc/11/32/21/564113221.db2.gz 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EHAEMO Cc1nc(Cl)ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248662284 1028936228 /nfs/dbraw/zinc/93/62/28/1028936228.db2.gz YFIGYDDUTZNHRM-RDJZCZTQSA-N 1 1 344.846 3.610 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)c(F)c3)CC2)[nH+]c1 ZINC000154415343 1029173182 /nfs/dbraw/zinc/17/31/82/1029173182.db2.gz IVIFIJZCZQLKFQ-UHFFFAOYSA-N 1 1 347.821 3.581 10 0 EHAEMO COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788865 1030521699 /nfs/dbraw/zinc/52/16/99/1030521699.db2.gz RHWQLJDAXJXEDE-AWEZNQCLSA-N 1 1 348.468 3.514 10 0 EHAEMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820053 1030679705 /nfs/dbraw/zinc/67/97/05/1030679705.db2.gz PHPVQRSQIZLOGH-GOSISDBHSA-N 1 1 349.837 3.586 10 0 EHAEMO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC[N@H+](C2CC2)CC1 ZINC000171711376 1030808313 /nfs/dbraw/zinc/80/83/13/1030808313.db2.gz SRXWETXEXFVXIK-LEWJYISDSA-N 1 1 334.463 3.640 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3F)CC2)[nH+]c1 ZINC000157903733 1030945156 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EHAEMO CCC1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCCCC1 ZINC000185889748 1035557153 /nfs/dbraw/zinc/55/71/53/1035557153.db2.gz AJABKQXPKHWUGT-UHFFFAOYSA-N 1 1 329.488 3.836 10 0 EHAEMO c1cc2c(nc[nH+]c2NCc2ccccc2OCc2ccccc2)[nH]1 ZINC000588896818 1036172624 /nfs/dbraw/zinc/17/26/24/1036172624.db2.gz SFMXBQHOSSSDBB-UHFFFAOYSA-N 1 1 330.391 3.571 10 0 EHAEMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000104709881 1037073158 /nfs/dbraw/zinc/07/31/58/1037073158.db2.gz UAMVOYUHCAJJIE-QGZVFWFLSA-N 1 1 340.467 3.814 10 0 EHAEMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000253613882 1041036303 /nfs/dbraw/zinc/03/63/03/1041036303.db2.gz WZTQJARHKFCZOS-CHWSQXEVSA-N 1 1 340.452 3.733 10 0 EHAEMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000253613882 1041036324 /nfs/dbraw/zinc/03/63/24/1041036324.db2.gz WZTQJARHKFCZOS-CHWSQXEVSA-N 1 1 340.452 3.733 10 0 EHAEMO C[C@H]1CC(c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)C[C@H](C)C1 ZINC000333384272 1138283904 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ZINC000182647310 1032119212 /nfs/dbraw/zinc/11/92/12/1032119212.db2.gz QKNAKCVTUBOMHQ-LBPRGKRZSA-N 1 1 336.819 3.769 10 0 EHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nnc(-c3ccccc3Cl)o1)CC2 ZINC000128520166 1022439551 /nfs/dbraw/zinc/43/95/51/1022439551.db2.gz ANVBXBPICYOUGF-ACJLOTCBSA-N 1 1 347.846 3.517 10 0 EHAEMO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)n1 ZINC000328914113 1022544151 /nfs/dbraw/zinc/54/41/51/1022544151.db2.gz PZVXOMVIALKKSC-XGWLTEMNSA-N 1 1 340.427 3.593 10 0 EHAEMO Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c2ccccc12 ZINC000333673774 1024585101 /nfs/dbraw/zinc/58/51/01/1024585101.db2.gz NOJSBNKPRFSBGJ-KSSFIOAISA-N 1 1 335.407 3.734 10 0 EHAEMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000247379983 1025855922 /nfs/dbraw/zinc/85/59/22/1025855922.db2.gz VUFIHQFLRQKLAZ-ZIAGYGMSSA-N 1 1 331.464 3.524 10 0 EHAEMO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000153474754 1027994999 /nfs/dbraw/zinc/99/49/99/1027994999.db2.gz GNJJKKKMUFMRME-SFHVURJKSA-N 1 1 330.472 3.566 10 0 EHAEMO O[C@H](C[C@@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1)c1ccco1 ZINC000246465823 1028584882 /nfs/dbraw/zinc/58/48/82/1028584882.db2.gz OGKCFERPZDTFNE-ZWKOTPCHSA-N 1 1 325.408 3.644 10 0 EHAEMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)s1 ZINC000246703372 1028680817 /nfs/dbraw/zinc/68/08/17/1028680817.db2.gz MZSMVHNHWUVVMF-SUMWQHHRSA-N 1 1 343.496 3.543 10 0 EHAEMO c1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000246769898 1028688465 /nfs/dbraw/zinc/68/84/65/1028688465.db2.gz PVLZVASVPOQXRA-IEBWSBKVSA-N 1 1 327.497 3.630 10 0 EHAEMO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000247243731 1028763663 /nfs/dbraw/zinc/76/36/63/1028763663.db2.gz TZCWCEJFSHLEPF-MAUKXSAKSA-N 1 1 326.440 3.679 10 0 EHAEMO C[N@H+]1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H]1c1ccccc1 ZINC000248139976 1028853445 /nfs/dbraw/zinc/85/34/45/1028853445.db2.gz YHCCBLNLGWEVQQ-DLBZAZTESA-N 1 1 330.378 3.799 10 0 EHAEMO c1[nH]c([C@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)nc1-c1ccccc1 ZINC000114200905 1028862471 /nfs/dbraw/zinc/86/24/71/1028862471.db2.gz XSLRUAWQROCFFC-INIZCTEOSA-N 1 1 349.438 3.717 10 0 EHAEMO c1[nH]c([C@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)nc1-c1ccccc1 ZINC000114200905 1028862486 /nfs/dbraw/zinc/86/24/86/1028862486.db2.gz XSLRUAWQROCFFC-INIZCTEOSA-N 1 1 349.438 3.717 10 0 EHAEMO FC(F)(F)c1ccc([C@H]2C[N@H+](C[C@H]3CCCCO3)CCO2)cc1 ZINC000248414005 1028897814 /nfs/dbraw/zinc/89/78/14/1028897814.db2.gz GOXRBHWLWCZVFW-HZPDHXFCSA-N 1 1 329.362 3.648 10 0 EHAEMO FC(F)(F)c1ccc([C@H]2C[N@@H+](C[C@H]3CCCCO3)CCO2)cc1 ZINC000248414005 1028897834 /nfs/dbraw/zinc/89/78/34/1028897834.db2.gz GOXRBHWLWCZVFW-HZPDHXFCSA-N 1 1 329.362 3.648 10 0 EHAEMO Cc1c(F)cccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249021408 1028977011 /nfs/dbraw/zinc/97/70/11/1028977011.db2.gz KDMBXNMYPNBZQL-ROUUACIJSA-N 1 1 327.403 3.701 10 0 EHAEMO CCS(=O)(=O)CCCCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000249065926 1028983566 /nfs/dbraw/zinc/98/35/66/1028983566.db2.gz KGFIYOMAISPRHS-NVXWUHKLSA-N 1 1 341.492 3.609 10 0 EHAEMO C[C@@H]1C[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000249208428 1028996846 /nfs/dbraw/zinc/99/68/46/1028996846.db2.gz XEELJDFYYSZHMT-JRGCBEDISA-N 1 1 346.478 3.752 10 0 EHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000245702570 1029050664 /nfs/dbraw/zinc/05/06/64/1029050664.db2.gz BQSBZAXCEAEYSC-ZBFHGGJFSA-N 1 1 331.460 3.564 10 0 EHAEMO CC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245713462 1029111343 /nfs/dbraw/zinc/11/13/43/1029111343.db2.gz PRHUMCORLRLBQL-RBOXIYTFSA-N 1 1 326.843 3.634 10 0 EHAEMO COc1cccc([C@H](C)[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000079434553 1029643005 /nfs/dbraw/zinc/64/30/05/1029643005.db2.gz AJLVXLBYZZUVLQ-HNNXBMFYSA-N 1 1 344.480 3.666 10 0 EHAEMO COc1cccc([C@H](C)[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000079434553 1029643015 /nfs/dbraw/zinc/64/30/15/1029643015.db2.gz AJLVXLBYZZUVLQ-HNNXBMFYSA-N 1 1 344.480 3.666 10 0 EHAEMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)cc1C ZINC000246096988 1030358293 /nfs/dbraw/zinc/35/82/93/1030358293.db2.gz OHQRVAXJIBCXDH-QWHCGFSZSA-N 1 1 334.441 3.772 10 0 EHAEMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000174233697 1031181854 /nfs/dbraw/zinc/18/18/54/1031181854.db2.gz LLWOKKVSNIUNBP-UHFFFAOYSA-N 1 1 344.846 3.834 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC(C)(C)C3)CC2)[nH+]1 ZINC000178930012 1031722522 /nfs/dbraw/zinc/72/25/22/1031722522.db2.gz CXYCJEZWHAZFSN-INIZCTEOSA-N 1 1 329.488 3.691 10 0 EHAEMO Cc1noc(C)c1C[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000179044347 1031728591 /nfs/dbraw/zinc/72/85/91/1031728591.db2.gz PKSHKMHCVZVTQB-MRXNPFEDSA-N 1 1 349.475 3.655 10 0 EHAEMO Cc1noc(C)c1C[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000179044347 1031728603 /nfs/dbraw/zinc/72/86/03/1031728603.db2.gz PKSHKMHCVZVTQB-MRXNPFEDSA-N 1 1 349.475 3.655 10 0 EHAEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000159094710 1031867918 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COc1ccccc1CC[N@@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000104711156 1037361745 /nfs/dbraw/zinc/36/17/45/1037361745.db2.gz SVHRVXDJUYVUCT-UHFFFAOYSA-N 1 1 344.480 3.530 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000116670689 1037839985 /nfs/dbraw/zinc/83/99/85/1037839985.db2.gz VVFKRNLBEOGFDZ-UHFFFAOYSA-N 1 1 345.446 3.942 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)[C@H](C)CC3CCCC3)CC2)[nH+]1 ZINC000116670968 1037843880 /nfs/dbraw/zinc/84/38/80/1037843880.db2.gz ONSGSRCPRKXOEB-OAHLLOKOSA-N 1 1 329.488 3.691 10 0 EHAEMO C[C@H]1CC[C@@](C)(c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)C1(C)C ZINC000333831919 1138336459 /nfs/dbraw/zinc/33/64/59/1138336459.db2.gz JNRZREJGDKYCKE-FTUNRGFVSA-N 1 1 333.476 3.709 10 0 EHAEMO C[C@H]1CC[C@@](C)(c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)C1(C)C ZINC000333831919 1138336462 /nfs/dbraw/zinc/33/64/62/1138336462.db2.gz JNRZREJGDKYCKE-FTUNRGFVSA-N 1 1 333.476 3.709 10 0 EHAEMO COCC[NH2+][C@H](c1nc(C)cs1)c1ccc(Br)cc1 ZINC000053288734 214175617 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C[C@H](c1nccs1)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088743 218278163 /nfs/dbraw/zinc/27/81/63/218278163.db2.gz QJWGMTIHIBGCAK-OLZOCXBDSA-N 1 1 325.478 3.535 10 0 EHAEMO C[C@H](c1nccs1)[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088743 218278166 /nfs/dbraw/zinc/27/81/66/218278166.db2.gz QJWGMTIHIBGCAK-OLZOCXBDSA-N 1 1 325.478 3.535 10 0 EHAEMO COc1ccc(CSc2nnc([C@H]([NH3+])Cc3ccccc3)o2)cc1 ZINC000040173796 258003681 /nfs/dbraw/zinc/00/36/81/258003681.db2.gz JDLDKYWTLQMKEG-MRXNPFEDSA-N 1 1 341.436 3.613 10 0 EHAEMO Cc1noc(C)c1CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000329376690 1025791428 /nfs/dbraw/zinc/79/14/28/1025791428.db2.gz OICDYGPNJSQNFW-MRXNPFEDSA-N 1 1 330.432 3.712 10 0 EHAEMO Cc1noc(C)c1CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000329376690 1025791442 /nfs/dbraw/zinc/79/14/42/1025791442.db2.gz OICDYGPNJSQNFW-MRXNPFEDSA-N 1 1 330.432 3.712 10 0 EHAEMO Cc1cccc(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000126399443 1027199564 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