smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CC[C@H](NCc2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000185365846 1032385957 /nfs/dbraw/zinc/38/59/57/1032385957.db2.gz JBQDSCXIPXCNMG-IBGZPJMESA-N 0 1 348.368 3.687 10 0 EHAEMN O[C@@]12CCCC[C@@H]1CN(Cc1coc(-c3cccc(F)c3)n1)CC2 ZINC000128526948 1022440740 /nfs/dbraw/zinc/44/07/40/1022440740.db2.gz WURPZHZRVVKDCC-DNVCBOLYSA-N 0 1 330.403 3.608 10 0 EHAEMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)N(C)C1CCCCC1 ZINC000192352502 1024242354 /nfs/dbraw/zinc/24/23/54/1024242354.db2.gz GBXWRQKWZIVVNK-KBXCAEBGSA-N 0 1 330.472 3.539 10 0 EHAEMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000047923465 1026215346 /nfs/dbraw/zinc/21/53/46/1026215346.db2.gz OWISPYOXHIVKAR-SJORKVTESA-N 0 1 345.830 3.514 10 0 EHAEMN Fc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195348181 1028633179 /nfs/dbraw/zinc/63/31/79/1028633179.db2.gz JDGYKHJDOQSOPM-GFCCVEGCSA-N 0 1 334.416 3.528 10 0 EHAEMN Fc1cc(CN2CCC[C@@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195348181 1028633191 /nfs/dbraw/zinc/63/31/91/1028633191.db2.gz JDGYKHJDOQSOPM-GFCCVEGCSA-N 0 1 334.416 3.528 10 0 EHAEMN Clc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)o1 ZINC000075712351 1028766612 /nfs/dbraw/zinc/76/66/12/1028766612.db2.gz RSKXHMWKWXPGBF-CYBMUJFWSA-N 0 1 348.830 3.580 10 0 EHAEMN Clc1ccccc1-c1cnc(CN2CCC[C@@H](C3OCCO3)C2)o1 ZINC000075712351 1028766629 /nfs/dbraw/zinc/76/66/29/1028766629.db2.gz RSKXHMWKWXPGBF-CYBMUJFWSA-N 0 1 348.830 3.580 10 0 EHAEMN Cc1cccc2nc(CN3CCC[C@H]3C[C@@H](O)c3cccs3)cn21 ZINC000247326796 1028776855 /nfs/dbraw/zinc/77/68/55/1028776855.db2.gz YDQVDBAYNMWSLH-DLBZAZTESA-N 0 1 341.480 3.792 10 0 EHAEMN CC(C)n1c2ccccc2nc1[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000248554745 1028888193 /nfs/dbraw/zinc/88/81/93/1028888193.db2.gz KCCSUIGYPVEPJI-BOUXLOLZSA-N 0 1 335.451 3.926 10 0 EHAEMN CCO[C@@H]1C[C@@H](N[C@H](c2cccs2)c2ncc[nH]2)C12CCCC2 ZINC000249163133 1028992214 /nfs/dbraw/zinc/99/22/14/1028992214.db2.gz ZOTVFFZRDJSKKT-BZUAXINKSA-N 0 1 331.485 3.888 10 0 EHAEMN CCCN(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245724026 1029140461 /nfs/dbraw/zinc/14/04/61/1029140461.db2.gz RSXAJKGHGPXYOX-CJNGLKHVSA-N 0 1 341.858 3.523 10 0 EHAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000245857857 1029387455 /nfs/dbraw/zinc/38/74/55/1029387455.db2.gz CTFURKXFKZNNFF-AOIWGVFYSA-N 0 1 343.515 3.625 10 0 EHAEMN FC(F)(F)Sc1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092648060 1030494601 /nfs/dbraw/zinc/49/46/01/1030494601.db2.gz WYCKXBPKCZVNNX-UHFFFAOYSA-N 0 1 342.390 3.727 10 0 EHAEMN CC(=O)Nc1ccccc1CN1CCC(c2nc(C)cs2)CC1 ZINC000092787504 1030517857 /nfs/dbraw/zinc/51/78/57/1030517857.db2.gz HOEYLOOLYOUQPS-UHFFFAOYSA-N 0 1 329.469 3.790 10 0 EHAEMN CCn1cc(C2CCN(Cc3c(Cl)n(C)nc3C(C)C)CC2)cn1 ZINC000092809283 1030525453 /nfs/dbraw/zinc/52/54/53/1030525453.db2.gz GAIKXLCLTNPPSM-UHFFFAOYSA-N 0 1 349.910 3.793 10 0 EHAEMN Cc1cccc2nc(CCC(=O)Nc3cccc(-c4cc[nH]n4)c3)[nH]c21 ZINC000175401785 1031304214 /nfs/dbraw/zinc/30/42/14/1031304214.db2.gz AEONUAQTCLEYES-UHFFFAOYSA-N 0 1 345.406 3.833 10 0 EHAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CC1CCCCCC1 ZINC000176606367 1031465252 /nfs/dbraw/zinc/46/52/52/1031465252.db2.gz QZNHAGCLASMQJJ-PXNSSMCTSA-N 0 1 343.515 3.769 10 0 EHAEMN Cc1cccc2cc(-c3nc([C@H]4CN5CCC[C@@]5(C)CO4)no3)oc21 ZINC000329629408 1031496346 /nfs/dbraw/zinc/49/63/46/1031496346.db2.gz WBKBVQLBKYNHKZ-BEFAXECRSA-N 0 1 339.395 3.717 10 0 EHAEMN C[C@H](NCc1cccnc1-n1cncn1)c1cccc(Cl)c1Cl ZINC000178049477 1031614384 /nfs/dbraw/zinc/61/43/84/1031614384.db2.gz KKBANRLARHOQQM-NSHDSACASA-N 0 1 348.237 3.820 10 0 EHAEMN CC(=CC(=O)N1CCCC[C@@H]1c1nnc[nH]1)c1ccccc1Cl ZINC000181391974 1031982331 /nfs/dbraw/zinc/98/23/31/1031982331.db2.gz OEMAMSGYNYOYHF-HBIYDYFMSA-N 0 1 330.819 3.615 10 0 EHAEMN O=C(CCN1CCC[C@H](c2nccs2)C1)c1ccc(F)cc1F ZINC000186909721 1035718027 /nfs/dbraw/zinc/71/80/27/1035718027.db2.gz MMWLWIHKFRMCPP-LBPRGKRZSA-N 0 1 336.407 3.874 10 0 EHAEMN CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000190100294 1036177021 /nfs/dbraw/zinc/17/70/21/1036177021.db2.gz QWQZFTFCGVLHEA-NWINJMCUSA-N 0 1 347.381 3.509 10 0 EHAEMN CO[C@@H]1C[C@H](c2nc(C)no2)N(CC2CCC(C(F)(F)F)CC2)C1 ZINC000190100294 1036177033 /nfs/dbraw/zinc/17/70/33/1036177033.db2.gz QWQZFTFCGVLHEA-NWINJMCUSA-N 0 1 347.381 3.509 10 0 EHAEMN Cc1nc([C@@H](NCc2ccc(OCC3CC3)cc2)c2ccccc2)n[nH]1 ZINC000190941944 1036308415 /nfs/dbraw/zinc/30/84/15/1036308415.db2.gz FFZMURHSHOTHJQ-FQEVSTJZSA-N 0 1 348.450 3.781 10 0 EHAEMN CCCO[C@H]1CCCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000108391280 1037647600 /nfs/dbraw/zinc/64/76/00/1037647600.db2.gz POUJQVCMGHJPES-KRWDZBQOSA-N 0 1 339.863 3.988 10 0 EHAEMN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(F)cc3O)C2)cc1 ZINC000123876785 1038092111 /nfs/dbraw/zinc/09/21/11/1038092111.db2.gz FUYJVWMDRUAEIG-OCCSQVGLSA-N 0 1 329.371 3.558 10 0 EHAEMN COc1ccc([C@@H](C)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)c(F)c1 ZINC000162481351 1042733513 /nfs/dbraw/zinc/73/35/13/1042733513.db2.gz IUAPVHVRZXGSGX-KZULUSFZSA-N 0 1 340.402 3.701 10 0 EHAEMN Cc1nc([C@@H](N[C@@H]2CCCc3nc(C)sc32)c2ccccc2)n[nH]1 ZINC000162596307 1042741500 /nfs/dbraw/zinc/74/15/00/1042741500.db2.gz BTZYTVNISGYNQN-CVEARBPZSA-N 0 1 339.468 3.635 10 0 EHAEMN COc1ccc2c(c1)CCC[C@H]2N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000162613987 1042742706 /nfs/dbraw/zinc/74/27/06/1042742706.db2.gz ISOUKLQYVLLMDM-WOJBJXKFSA-N 0 1 348.450 3.878 10 0 EHAEMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3nc(C)c(C)nc3C)[nH]c2c1 ZINC000185333087 1131546730 /nfs/dbraw/zinc/54/67/30/1131546730.db2.gz HZKGYVWZDUSKSQ-QGZVFWFLSA-N 0 1 349.438 3.564 10 0 EHAEMN CCCCOc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000184519344 1140106834 /nfs/dbraw/zinc/10/68/34/1140106834.db2.gz XSKKMCAOFWLQOQ-HNNXBMFYSA-N 0 1 343.431 3.743 10 0 EHAEMN CCCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000037984483 202076489 /nfs/dbraw/zinc/07/64/89/202076489.db2.gz HUSLKJMDFVBKPE-CHWSQXEVSA-N 0 1 341.293 3.795 10 0 EHAEMN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000037984457 202076723 /nfs/dbraw/zinc/07/67/23/202076723.db2.gz JTANNHHKOSEXFE-NWDGAFQWSA-N 0 1 341.293 3.793 10 0 EHAEMN COc1ccc(Br)cc1[C@@H](N)c1cc(F)cc(F)c1 ZINC000034972022 202282424 /nfs/dbraw/zinc/28/24/24/202282424.db2.gz KTHBBSBYSJBVBP-AWEZNQCLSA-N 0 1 328.156 3.784 10 0 EHAEMN CC(C)(C)[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1Br ZINC000037597267 202348630 /nfs/dbraw/zinc/34/86/30/202348630.db2.gz AJMFWPBKPLDMEI-UHFFFAOYSA-N 0 1 332.213 3.663 10 0 EHAEMN CCCN(CC(=O)c1ccc(OC)c(Br)c1)C(C)C ZINC000037335048 202339468 /nfs/dbraw/zinc/33/94/68/202339468.db2.gz IVUXBRKDNFUVCH-UHFFFAOYSA-N 0 1 328.250 3.761 10 0 EHAEMN Nc1c(NNc2ccccc2)ncnc1N1CCCc2ccccc21 ZINC000040757436 132407209 /nfs/dbraw/zinc/40/72/09/132407209.db2.gz GOMDEIPGKLKCKU-UHFFFAOYSA-N 0 1 332.411 3.582 10 0 EHAEMN C[C@H](Cc1ccc(COc2ccccc2)cc1)CN1CCOCC1 ZINC000038691935 563921943 /nfs/dbraw/zinc/92/19/43/563921943.db2.gz XJLXARZYUGSVLN-GOSISDBHSA-N 0 1 325.452 3.776 10 0 EHAEMN Cc1cc2c(ccnc2N2CC[C@H](n3c(C)nc4c3CCCC4)C2)o1 ZINC000299739503 563963703 /nfs/dbraw/zinc/96/37/03/563963703.db2.gz PLDSKYVZCQIAFN-HNNXBMFYSA-N 0 1 336.439 3.971 10 0 EHAEMN Clc1ccc(Br)c(CN[C@@H]2COC[C@@H]2C2CC2)c1 ZINC000725270296 563987919 /nfs/dbraw/zinc/98/79/19/563987919.db2.gz ZQYYJHGZRQQJFY-TZMCWYRMSA-N 0 1 330.653 3.617 10 0 EHAEMN Cc1nnc([C@H](C)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)o1 ZINC000075612302 564089868 /nfs/dbraw/zinc/08/98/68/564089868.db2.gz OYYIPGNHJSBOHP-BBRMVZONSA-N 0 1 337.427 3.709 10 0 EHAEMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000706399905 954948391 /nfs/dbraw/zinc/94/83/91/954948391.db2.gz IYBLIOWFLUKDOA-MWLCHTKSSA-N 0 1 346.652 3.645 10 0 EHAEMN Cc1nc([C@@H]2CCCCN2C(=O)C[C@@H](C)Cc2cccc(F)c2)n[nH]1 ZINC000328750862 1022480818 /nfs/dbraw/zinc/48/08/18/1022480818.db2.gz RHSVKOQBRRGNMC-GUYCJALGSA-N 0 1 344.434 3.575 10 0 EHAEMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000192345872 1024240972 /nfs/dbraw/zinc/24/09/72/1024240972.db2.gz FHLSHLVDYCTSAH-HDMKZQKVSA-N 0 1 330.472 3.539 10 0 EHAEMN CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103059497 1026044140 /nfs/dbraw/zinc/04/41/40/1026044140.db2.gz ZWSSAXRLOVTZKX-SNVBAGLBSA-N 0 1 343.807 3.987 10 0 EHAEMN COc1ccccc1CCN(C)[C@H](C)C(=O)Nc1ccccc1C ZINC000104710910 1026393260 /nfs/dbraw/zinc/39/32/60/1026393260.db2.gz CHQXUTBISZHFFZ-MRXNPFEDSA-N 0 1 326.440 3.505 10 0 EHAEMN CC[C@H](NCc1ccc(-n2ccnc2C)nc1)c1ccccc1OC ZINC000126472199 1027207964 /nfs/dbraw/zinc/20/79/64/1027207964.db2.gz VGWOGQDVICRXMX-SFHVURJKSA-N 0 1 336.439 3.825 10 0 EHAEMN Fc1cccc(-c2nc(CN[C@H]3CCCC[C@@H]3n3cccn3)co2)c1 ZINC000127843595 1027362864 /nfs/dbraw/zinc/36/28/64/1027362864.db2.gz CLFDIVWTIONMFR-ROUUACIJSA-N 0 1 340.402 3.951 10 0 EHAEMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2)[nH]1)c1ccco1 ZINC000246208390 1027996531 /nfs/dbraw/zinc/99/65/31/1027996531.db2.gz MHWHZWRWABORRY-ZWKOTPCHSA-N 0 1 337.423 3.758 10 0 EHAEMN O[C@H](C[C@@H]1CCCN1Cc1c[nH]c(-c2ccccc2)n1)c1ccco1 ZINC000246208390 1027996562 /nfs/dbraw/zinc/99/65/62/1027996562.db2.gz MHWHZWRWABORRY-ZWKOTPCHSA-N 0 1 337.423 3.758 10 0 EHAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137344389 1028310014 /nfs/dbraw/zinc/31/00/14/1028310014.db2.gz PXDLCOQOFMDFIU-UHFFFAOYSA-N 0 1 327.403 3.910 10 0 EHAEMN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CN(C)C3)c(F)c1 ZINC000194513556 1028537277 /nfs/dbraw/zinc/53/72/77/1028537277.db2.gz NYMXNUVBUGCTMZ-CYBMUJFWSA-N 0 1 327.403 3.519 10 0 EHAEMN CSc1ccsc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247923112 1028826838 /nfs/dbraw/zinc/82/68/38/1028826838.db2.gz CECRFHVHWRXJPL-DZGCQCFKSA-N 0 1 332.494 3.645 10 0 EHAEMN COCc1ccc([C@H]2CCCN2C[C@@H](O)c2c(F)cccc2F)o1 ZINC000248638813 1028930871 /nfs/dbraw/zinc/93/08/71/1028930871.db2.gz XISZVNIGLRTAHR-HZPDHXFCSA-N 0 1 337.366 3.575 10 0 EHAEMN O[C@H](CN1CC[C@]2(C1)OCc1ccccc12)c1ccccc1Cl ZINC000248671353 1028937203 /nfs/dbraw/zinc/93/72/03/1028937203.db2.gz BHWQCYCYJKWMAU-RTBURBONSA-N 0 1 329.827 3.505 10 0 EHAEMN CC[C@H]1CC[C@H](C(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000251885029 1029165011 /nfs/dbraw/zinc/16/50/11/1029165011.db2.gz PYBMGEJWVGFCED-DJIMGWMZSA-N 0 1 326.444 3.535 10 0 EHAEMN CCN(CC)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245737523 1029210854 /nfs/dbraw/zinc/21/08/54/1029210854.db2.gz VAZKUGFHWDKFTQ-CJNGLKHVSA-N 0 1 341.858 3.523 10 0 EHAEMN CN1CC[C@@H](CNC(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245738755 1029218424 /nfs/dbraw/zinc/21/84/24/1029218424.db2.gz VHHOUNFLWUCDDS-WFASDCNBSA-N 0 1 326.843 3.634 10 0 EHAEMN COc1cc(CN2CCS[C@H]3CCCC[C@H]32)cc(OC)c1OC ZINC000245776787 1029279725 /nfs/dbraw/zinc/27/97/25/1029279725.db2.gz SUUXAIPZMPDBII-PBHICJAKSA-N 0 1 337.485 3.572 10 0 EHAEMN c1nc(C2CCCC2)sc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000093690820 1030660898 /nfs/dbraw/zinc/66/08/98/1030660898.db2.gz UAGNBFDWFRPZCK-INIZCTEOSA-N 0 1 329.469 3.849 10 0 EHAEMN Cc1nc([C@@H](N[C@@H](C)c2ccccc2N(C)C)c2ccccc2)n[nH]1 ZINC000093944369 1030698259 /nfs/dbraw/zinc/69/82/59/1030698259.db2.gz GLJNFCFHQPQQAJ-LIRRHRJNSA-N 0 1 335.455 3.619 10 0 EHAEMN Cc1cccc2cc(-c3nc([C@@H]4CN5CCC[C@]5(C)CO4)no3)oc21 ZINC000329629414 1031499542 /nfs/dbraw/zinc/49/95/42/1031499542.db2.gz WBKBVQLBKYNHKZ-HNAYVOBHSA-N 0 1 339.395 3.717 10 0 EHAEMN C[C@H](NCc1cccnc1-n1cncn1)c1cc(Cl)ccc1Cl ZINC000178057581 1031614279 /nfs/dbraw/zinc/61/42/79/1031614279.db2.gz JDFIXKCZOVMQTD-NSHDSACASA-N 0 1 348.237 3.820 10 0 EHAEMN C[C@@H](NCc1cccnc1-n1cncn1)c1cccc(Cl)c1Cl ZINC000178049487 1031614597 /nfs/dbraw/zinc/61/45/97/1031614597.db2.gz KKBANRLARHOQQM-LLVKDONJSA-N 0 1 348.237 3.820 10 0 EHAEMN Cc1nc([C@@H](NC(=O)CC[C@H](C)c2ccccc2)c2ccccc2)n[nH]1 ZINC000158838376 1031673768 /nfs/dbraw/zinc/67/37/68/1031673768.db2.gz XKTMRSGJSPDZMT-YWZLYKJASA-N 0 1 348.450 3.903 10 0 EHAEMN CCN(CC)c1ncc(CN[C@H]2CCOc3c(C)cccc32)s1 ZINC000188954277 1036017944 /nfs/dbraw/zinc/01/79/44/1036017944.db2.gz 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O=C([O-])C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)c2cccnc12 ZINC000692439229 976478567 /nfs/dbraw/zinc/47/85/67/976478567.db2.gz FPDDWLAUFWWPJH-UHFFFAOYSA-N 0 1 340.810 3.975 10 0 EHAEMN CC(C)c1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1F ZINC000184444888 1032272788 /nfs/dbraw/zinc/27/27/88/1032272788.db2.gz QBEFLZRNTSHCEX-OAHLLOKOSA-N 0 1 331.395 3.826 10 0 EHAEMN Cc1cccc2nc(CCC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)[nH]c21 ZINC000184780883 1032332978 /nfs/dbraw/zinc/33/29/78/1032332978.db2.gz ZNEHQNBDTDFQQV-RDTXWAMCSA-N 0 1 348.450 3.809 10 0 EHAEMN CC(=O)N1CC[C@@H](NCc2ccccc2F)c2ccc(F)cc2C1 ZINC000185353920 1032383139 /nfs/dbraw/zinc/38/31/39/1032383139.db2.gz BBVALMGZUSVMNH-LJQANCHMSA-N 0 1 330.378 3.548 10 0 EHAEMN O[C@@]12CCCC[C@@H]1CN(Cc1ncc(-c3ccc(F)cc3)o1)CC2 ZINC000128425243 1022435438 /nfs/dbraw/zinc/43/54/38/1022435438.db2.gz JQCOLBDYQKIXNA-DNVCBOLYSA-N 0 1 330.403 3.608 10 0 EHAEMN Cc1nc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000328748610 1022480934 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XIOXOOKDWUARSM-SJORKVTESA-N 0 1 336.888 3.563 10 0 EHAEMN O[C@@H]1c2ccccc2C[C@@H]1N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000248489320 1028916955 /nfs/dbraw/zinc/91/69/55/1028916955.db2.gz MVKGNFKZPXUOIT-PCCBWWKXSA-N 0 1 334.394 3.558 10 0 EHAEMN O=C1O[C@@H](CN2CCC[C@@H]2c2nc3ccccc3s2)CC12CCC2 ZINC000248808006 1028950366 /nfs/dbraw/zinc/95/03/66/1028950366.db2.gz BTXRSUVFTVWCLD-UKRRQHHQSA-N 0 1 342.464 3.919 10 0 EHAEMN COc1ccc([C@@H]2C[C@H](C)N([C@@H](C)c3nc(C4CC4)no3)C2)cc1 ZINC000076389586 1028989051 /nfs/dbraw/zinc/98/90/51/1028989051.db2.gz PEDSFCNHOMVDCB-HEHGZKQESA-N 0 1 327.428 3.895 10 0 EHAEMN CN1CC[C@H](CNC(=O)C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245669643 1028989458 /nfs/dbraw/zinc/98/94/58/1028989458.db2.gz HREVKXLCAAVVKL-RHSMWYFYSA-N 0 1 338.854 3.778 10 0 EHAEMN CC(C)CC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245741921 1029223311 /nfs/dbraw/zinc/22/33/11/1029223311.db2.gz VWFVCWNLLRRSCI-DYVFJYSZSA-N 0 1 326.843 3.634 10 0 EHAEMN Cc1cccc2nc(CCC(=O)N3CCS[C@@H]4CCCC[C@@H]43)[nH]c21 ZINC000176230145 1031397117 /nfs/dbraw/zinc/39/71/17/1031397117.db2.gz STEZCLYASSQIBY-JKSUJKDBSA-N 0 1 343.496 3.691 10 0 EHAEMN COCCOc1cccc(CN[C@H]2CCOc3c(C)cccc32)c1 ZINC000188951158 1036016785 /nfs/dbraw/zinc/01/67/85/1036016785.db2.gz NSKMQOALQQKRII-IBGZPJMESA-N 0 1 327.424 3.634 10 0 EHAEMN Cc1sc2nc(C)nc(N3CCC(c4ccn[nH]4)CC3)c2c1C ZINC000408159260 1041921054 /nfs/dbraw/zinc/92/10/54/1041921054.db2.gz FNEJNZLBBCGJGM-UHFFFAOYSA-N 0 1 327.457 3.724 10 0 EHAEMN CC(F)(F)c1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000187000386 1140232057 /nfs/dbraw/zinc/23/20/57/1140232057.db2.gz JYSPYRLMDYSDRI-ZDUSSCGKSA-N 0 1 335.358 3.676 10 0 EHAEMN CC(C)C[C@H]1CN(Cc2cnccc2C(F)(F)F)CC[C@@]1(C)O ZINC000067954686 215258450 /nfs/dbraw/zinc/25/84/50/215258450.db2.gz GHQDGVBRZMCCHH-GOEBONIOSA-N 0 1 330.394 3.719 10 0 EHAEMN COc1ccc(C)cc1Nc1ncnc(NNc2ccccc2)c1N ZINC000040684270 213369252 /nfs/dbraw/zinc/36/92/52/213369252.db2.gz ARTYJKBVRSKHQC-UHFFFAOYSA-N 0 1 336.399 3.558 10 0 EHAEMN O=C([O-])c1ccccc1[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072156761 216045076 /nfs/dbraw/zinc/04/50/76/216045076.db2.gz LAXVWIHTERHBEC-MRXNPFEDSA-N 0 1 332.403 3.923 10 0 EHAEMN COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1N ZINC000072237656 216076522 /nfs/dbraw/zinc/07/65/22/216076522.db2.gz XHWBGFCHRLVCFR-UHFFFAOYSA-N 0 1 334.301 3.748 10 0 EHAEMN COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1N ZINC000072237656 216076525 /nfs/dbraw/zinc/07/65/25/216076525.db2.gz XHWBGFCHRLVCFR-UHFFFAOYSA-N 0 1 334.301 3.748 10 0 EHAEMN Cc1cc(Br)cc(C)c1NC(=O)[C@H](N)Cc1ccccc1 ZINC000020032975 212095628 /nfs/dbraw/zinc/09/56/28/212095628.db2.gz YJJKQJJGIONNEZ-OAHLLOKOSA-N 0 1 347.256 3.574 10 0 EHAEMN O=C([O-])Cn1c2ccccc2[nH+]c1Nc1ccc(Br)cc1 ZINC000057326662 527642114 /nfs/dbraw/zinc/64/21/14/527642114.db2.gz GEKFMYKRDPCORM-UHFFFAOYSA-N 0 1 346.184 3.627 10 0 EHAEMN C[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000689089449 976216265 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EHAEMN CCN(C(=O)CN[C@@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000192349109 1024241777 /nfs/dbraw/zinc/24/17/77/1024241777.db2.gz CPIYECIRWIODNA-GOSISDBHSA-N 0 1 330.472 3.540 10 0 EHAEMN C[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccc(F)c(F)c1 ZINC000102687678 1025540458 /nfs/dbraw/zinc/54/04/58/1025540458.db2.gz KRBRSJPYOQMCFS-CYBMUJFWSA-N 0 1 330.378 3.595 10 0 EHAEMN Cc1cccc2nc(CCC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)[nH]c21 ZINC000153022291 1026941235 /nfs/dbraw/zinc/94/12/35/1026941235.db2.gz IPBYACGVSBESAH-FVJLSDCUSA-N 0 1 345.446 3.506 10 0 EHAEMN CC[C@@H](NCc1ccc(-n2ccnc2C)nc1)c1ccccc1OC ZINC000126472414 1027208087 /nfs/dbraw/zinc/20/80/87/1027208087.db2.gz VGWOGQDVICRXMX-GOSISDBHSA-N 0 1 336.439 3.825 10 0 EHAEMN Cc1nc([C@H](NC(=O)CCCc2ccc(C)cc2)c2ccccc2)n[nH]1 ZINC000057890754 1028377091 /nfs/dbraw/zinc/37/70/91/1028377091.db2.gz FIBRFHAQEBYYSR-HXUWFJFHSA-N 0 1 348.450 3.650 10 0 EHAEMN CCC1(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000248397341 1028894380 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