smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@@H]([NH2+]C)C3)cc(C3CC3)nc21 ZINC000160524764 229197550 /nfs/dbraw/zinc/19/75/50/229197550.db2.gz SBFNJKSFDKTUTO-LLVKDONJSA-N 0 3 357.414 0.416 20 70 FCIDHN Cc1c(NC(=O)C(=O)NC[C@H](O)CN(C)C)cnn1-c1ccccc1F ZINC000160139006 229198181 /nfs/dbraw/zinc/19/81/81/229198181.db2.gz OGUQYIVYZQGLSY-LBPRGKRZSA-N 0 3 363.393 0.297 20 70 FCIDHN Cn1cc(N2CCC[C@@H](N3CCC(N4CCC[C@@H]4C(N)=O)CC3)C2=O)cn1 ZINC000159412241 488785419 /nfs/dbraw/zinc/78/54/19/488785419.db2.gz IWFXPZAJKJZURU-IAGOWNOFSA-N 0 3 374.489 0.330 20 70 FCIDHN C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160296910 488790273 /nfs/dbraw/zinc/79/02/73/488790273.db2.gz YTXIGWGPHPTYJB-NXEZZACHSA-N 0 3 365.377 0.932 20 70 FCIDHN Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000160394793 488791063 /nfs/dbraw/zinc/79/10/63/488791063.db2.gz HTVJVXQWEGVPNM-GFCCVEGCSA-N 0 3 367.881 0.982 20 70 FCIDHN C[C@@H](C(=O)NCC1CCN(CCO)CC1)n1nnc(-c2ccccc2)n1 ZINC000160559304 488792252 /nfs/dbraw/zinc/79/22/52/488792252.db2.gz JLJISBURLRHQNZ-AWEZNQCLSA-N 0 3 358.446 0.722 20 70 FCIDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160523182 488792288 /nfs/dbraw/zinc/79/22/88/488792288.db2.gz DBPITMKUXSOJDR-ZACQAIPSSA-N 0 3 364.490 0.892 20 70 FCIDHN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160621871 488792622 /nfs/dbraw/zinc/79/26/22/488792622.db2.gz HLJXHINPEWEQJY-CQSZACIVSA-N 0 3 374.441 0.043 20 70 FCIDHN O=C(CCc1nc(-c2ccccn2)no1)NCC1CCN(CCO)CC1 ZINC000160643352 488792846 /nfs/dbraw/zinc/79/28/46/488792846.db2.gz GKWCLOGRCKKFCF-UHFFFAOYSA-N 0 3 359.430 0.885 20 70 FCIDHN CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160695298 488793261 /nfs/dbraw/zinc/79/32/61/488793261.db2.gz UFCJOWVWBQOSFL-INIZCTEOSA-N 0 3 351.495 0.323 20 70 FCIDHN C[C@@H]1Cc2cc(S(=O)(=O)NCC3CCN(CCO)CC3)ccc2O1 ZINC000161396492 534059796 /nfs/dbraw/zinc/05/97/96/534059796.db2.gz KHJYOJOINKIHTL-CYBMUJFWSA-N 0 3 354.472 0.993 20 70 FCIDHN Cc1cccc2c(=O)n(CC(=O)NC[C@@H](O)CN3CCCCC3)cnc12 ZINC000160574355 534778979 /nfs/dbraw/zinc/77/89/79/534778979.db2.gz LWLWZRZKDRVNAR-OAHLLOKOSA-N 0 3 358.442 0.668 20 70 FCIDHN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccncc2)CC1 ZINC000161387295 546577038 /nfs/dbraw/zinc/57/70/38/546577038.db2.gz ASCNPWJUFHCNET-GDBMZVCRSA-N 0 3 366.487 0.238 20 70 FCIDHN CCN1CCCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000159689422 488786961 /nfs/dbraw/zinc/78/69/61/488786961.db2.gz KHRAIFDHPBWGEO-UHFFFAOYSA-N 0 3 368.503 0.843 20 70 FCIDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 ZINC000159807940 488788059 /nfs/dbraw/zinc/78/80/59/488788059.db2.gz YMVLSEGWTNZFBD-INIZCTEOSA-N 0 3 364.490 0.590 20 70 FCIDHN CCN1CCCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000159961960 488788548 /nfs/dbraw/zinc/78/85/48/488788548.db2.gz SSEMFGIDWCEAEY-UHFFFAOYSA-N 0 3 358.508 0.680 20 70 FCIDHN Cc1conc1NC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000160382046 488790924 /nfs/dbraw/zinc/79/09/24/488790924.db2.gz IQJPIJCHRRLBOF-UHFFFAOYSA-N 0 3 371.441 0.985 20 70 FCIDHN C[C@@H](CNC(=O)NCCCCN1CCN(C)CC1)CN1CCOCC1 ZINC000160433623 488791640 /nfs/dbraw/zinc/79/16/40/488791640.db2.gz RYDHYTOHUKSMAV-KRWDZBQOSA-N 0 3 355.527 0.282 20 70 FCIDHN NC(=O)N[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000160695979 488793214 /nfs/dbraw/zinc/79/32/14/488793214.db2.gz UNOZYZRQCZKRIT-CHWSQXEVSA-N 0 3 354.476 0.811 20 70 FCIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1cnn(-c2ccccc2)c1 ZINC000161387108 534866523 /nfs/dbraw/zinc/86/65/23/534866523.db2.gz FRAMHISLCGMKQZ-UHFFFAOYSA-N 0 3 364.471 0.855 20 70 FCIDHN Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159517192 488785809 /nfs/dbraw/zinc/78/58/09/488785809.db2.gz ZJWCVOJYROAEEN-GFCCVEGCSA-N 0 3 359.430 0.012 20 70 FCIDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC1CCOCC1 ZINC000159794605 488787322 /nfs/dbraw/zinc/78/73/22/488787322.db2.gz QXYXVUDNGOIOJD-INIZCTEOSA-N 0 3 354.495 0.997 20 70 FCIDHN CCCNC(=O)CN1CCC(NC(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000160010098 488788985 /nfs/dbraw/zinc/78/89/85/488788985.db2.gz MZBKAIIPLBPNEU-HNNXBMFYSA-N 0 3 356.536 0.531 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000160033167 488789023 /nfs/dbraw/zinc/78/90/23/488789023.db2.gz ZKUIRIWZIWVBHV-QGZVFWFLSA-N 0 3 370.453 0.868 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000160181162 488789768 /nfs/dbraw/zinc/78/97/68/488789768.db2.gz RILPGHVKTGNBPI-ZWKOTPCHSA-N 0 3 374.485 0.897 20 70 FCIDHN Cc1c(C(=O)NCCN2CCCCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000161285417 488795857 /nfs/dbraw/zinc/79/58/57/488795857.db2.gz KGDLVFCWQZDMRI-UHFFFAOYSA-N 0 3 373.457 0.546 20 70 FCIDHN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000161354557 534725891 /nfs/dbraw/zinc/72/58/91/534725891.db2.gz ODFNFADNPJSKJQ-MRXNPFEDSA-N 0 3 365.861 0.932 20 70 FCIDHN CCN1CCCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000159734767 529026801 /nfs/dbraw/zinc/02/68/01/529026801.db2.gz HBVXRGOVXIEDJI-QGZVFWFLSA-N 0 3 356.536 0.932 20 70 FCIDHN Cn1cc(N2CCC[C@H](N3CCC(N4CCC[C@@H]4C(N)=O)CC3)C2=O)cn1 ZINC000159412120 488785148 /nfs/dbraw/zinc/78/51/48/488785148.db2.gz IWFXPZAJKJZURU-SJORKVTESA-N 0 3 374.489 0.330 20 70 FCIDHN C[C@H](N)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000159875134 488788101 /nfs/dbraw/zinc/78/81/01/488788101.db2.gz KTNCBTKWCWVHMP-NSHDSACASA-N 0 3 370.247 0.846 20 70 FCIDHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159927906 488788507 /nfs/dbraw/zinc/78/85/07/488788507.db2.gz FFHGRXHWNGSLAC-GDBMZVCRSA-N 0 3 351.447 0.997 20 70 FCIDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000160040094 488788707 /nfs/dbraw/zinc/78/87/07/488788707.db2.gz LTDOFWSFYQLMID-GOSISDBHSA-N 0 3 368.437 0.864 20 70 FCIDHN CC(C)[C@H]1CN(C)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000159988816 488788938 /nfs/dbraw/zinc/78/89/38/488788938.db2.gz XZONYZODCCXHAW-GOSISDBHSA-N 0 3 369.554 0.358 20 70 FCIDHN O=C(NCC1CCN(CCO)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160641447 488792825 /nfs/dbraw/zinc/79/28/25/488792825.db2.gz FDWMLKPXQMNZPV-IBGZPJMESA-N 0 3 361.486 0.708 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160666820 488793057 /nfs/dbraw/zinc/79/30/57/488793057.db2.gz UCVIRXWMAFKCJV-CYBMUJFWSA-N 0 3 364.837 0.892 20 70 FCIDHN CCC(=O)N1CC[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000161386536 528337590 /nfs/dbraw/zinc/33/75/90/528337590.db2.gz OQFJAQXZMRRHLT-HUUCEWRRSA-N 0 3 352.479 0.304 20 70 FCIDHN CN(C)C[C@@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)F)nn2)C1 ZINC001164732521 720526042 /nfs/dbraw/zinc/52/60/42/720526042.db2.gz DISCXYISAGNVIZ-LLVKDONJSA-N 0 3 354.411 0.529 20 70 FCIDHN NC(=O)[C@@H]1CCCN1C1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000159369699 488784521 /nfs/dbraw/zinc/78/45/21/488784521.db2.gz YITYVCJRYBVQGA-SFHVURJKSA-N 0 3 374.485 0.596 20 70 FCIDHN CN(C)[C@H](CNC(=O)CN1CCN(c2nccn2C)CC1)c1ccccc1 ZINC000159416233 488785103 /nfs/dbraw/zinc/78/51/03/488785103.db2.gz JTILZLMWGMQBNI-GOSISDBHSA-N 0 3 370.501 0.961 20 70 FCIDHN CN(CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)[C@H]1CCSC1 ZINC000159509519 488785568 /nfs/dbraw/zinc/78/55/68/488785568.db2.gz QEPKZYIHQBZDEZ-INIZCTEOSA-N 0 3 363.531 0.887 20 70 FCIDHN Cc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159497395 488785623 /nfs/dbraw/zinc/78/56/23/488785623.db2.gz JIGWLMLGBGFIOO-CYBMUJFWSA-N 0 3 371.441 0.155 20 70 FCIDHN CCN1CCCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000159634097 488786212 /nfs/dbraw/zinc/78/62/12/488786212.db2.gz ZMCXFTXCHQXXDX-UHFFFAOYSA-N 0 3 354.476 0.832 20 70 FCIDHN O=C(NCCCO)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000159925129 488788378 /nfs/dbraw/zinc/78/83/78/488788378.db2.gz GMPXIWNOZAHENV-INIZCTEOSA-N 0 3 371.441 0.767 20 70 FCIDHN CC(C)[C@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000160013318 488788712 /nfs/dbraw/zinc/78/87/12/488788712.db2.gz YJWNWKUWUSJZIZ-NSHDSACASA-N 0 3 359.414 0.785 20 70 FCIDHN C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCC[NH3+] ZINC000160134972 488789424 /nfs/dbraw/zinc/78/94/24/488789424.db2.gz CKEYTVYBKZSASX-VIFPVBQESA-N 0 3 353.366 0.837 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000160305075 488790146 /nfs/dbraw/zinc/79/01/46/488790146.db2.gz XGHHCELXHMAESR-MRXNPFEDSA-N 0 3 374.416 0.948 20 70 FCIDHN CC(C)C[C@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000160712505 488793167 /nfs/dbraw/zinc/79/31/67/488793167.db2.gz YWWAMRFAIBFOHT-GUTXKFCHSA-N 0 3 351.451 0.831 20 70 FCIDHN O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CCCNCC1 ZINC000160847086 488794182 /nfs/dbraw/zinc/79/41/82/488794182.db2.gz ONCMNYBEJWAFKQ-UHFFFAOYSA-N 0 3 357.389 0.981 20 70 FCIDHN Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)c1 ZINC000161363938 488796115 /nfs/dbraw/zinc/79/61/15/488796115.db2.gz VJNSMDOYBUYHMD-ZWKOTPCHSA-N 0 3 374.485 0.656 20 70 FCIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000160387051 534626203 /nfs/dbraw/zinc/62/62/03/534626203.db2.gz QDLPRVPDPUIBRS-HNNXBMFYSA-N 0 3 360.458 0.894 20 70 FCIDHN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000161354706 534726265 /nfs/dbraw/zinc/72/62/65/534726265.db2.gz ODFNFADNPJSKJQ-INIZCTEOSA-N 0 3 365.861 0.932 20 70 FCIDHN CC(C)[C@@H]1CN(C)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000159548176 528740697 /nfs/dbraw/zinc/74/06/97/528740697.db2.gz NKKIBDOPCLNTQQ-INIZCTEOSA-N 0 3 353.511 0.521 20 70 FCIDHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160516444 208829246 /nfs/dbraw/zinc/82/92/46/208829246.db2.gz KLHKEPAYDRJBJC-MOPGFXCFSA-N 0 3 359.470 0.923 20 70 FCIDHN COc1ccccc1CNC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159375082 488784537 /nfs/dbraw/zinc/78/45/37/488784537.db2.gz MBYFGOZCWMPQSE-KRWDZBQOSA-N 0 3 374.485 0.726 20 70 FCIDHN CCNC(=O)CN1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000160077922 488789384 /nfs/dbraw/zinc/78/93/84/488789384.db2.gz VGADXXQJHKABAO-UHFFFAOYSA-N 0 3 356.430 0.756 20 70 FCIDHN CC[C@H](C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)N(C)C ZINC000160244952 488790054 /nfs/dbraw/zinc/79/00/54/488790054.db2.gz JWAVDXNIUSAWTH-CQSZACIVSA-N 0 3 372.491 0.855 20 70 FCIDHN C[C@H](C(=O)NCC1CCN(CCO)CC1)n1nnc(-c2ccccc2)n1 ZINC000160559417 488792267 /nfs/dbraw/zinc/79/22/67/488792267.db2.gz JLJISBURLRHQNZ-CQSZACIVSA-N 0 3 358.446 0.722 20 70 FCIDHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160656994 488792520 /nfs/dbraw/zinc/79/25/20/488792520.db2.gz GVSYJIQNTKMZPC-HZPDHXFCSA-N 0 3 372.535 0.974 20 70 FCIDHN CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160695187 488793012 /nfs/dbraw/zinc/79/30/12/488793012.db2.gz UFCJOWVWBQOSFL-MRXNPFEDSA-N 0 3 351.495 0.323 20 70 FCIDHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)O1 ZINC000161116700 488795109 /nfs/dbraw/zinc/79/51/09/488795109.db2.gz SWKWRHFGDQOXHG-ROUUACIJSA-N 0 3 374.485 0.738 20 70 FCIDHN Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 ZINC000161438231 488796608 /nfs/dbraw/zinc/79/66/08/488796608.db2.gz OSFPOIYCLSRHEW-GFCCVEGCSA-N 0 3 358.508 0.750 20 70 FCIDHN CCC(=O)N1CC[C@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000161386400 528362816 /nfs/dbraw/zinc/36/28/16/528362816.db2.gz OQFJAQXZMRRHLT-LSDHHAIUSA-N 0 3 352.479 0.304 20 70 FCIDHN CC(C)N(C)Cc1nn(-c2ccc(S(=O)(=O)F)nn2)c2c1CCNC2 ZINC001164680587 719641100 /nfs/dbraw/zinc/64/11/00/719641100.db2.gz XAKORROJHLUVDW-UHFFFAOYSA-N 0 3 368.438 0.806 20 70 FCIDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000159806314 488787606 /nfs/dbraw/zinc/78/76/06/488787606.db2.gz HGGBXUWNNCZZCU-KRWDZBQOSA-N 0 3 368.441 0.646 20 70 FCIDHN CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)ccc2c1=O ZINC000160047138 488788902 /nfs/dbraw/zinc/78/89/02/488788902.db2.gz XYKPGDXVGXOMJV-CQSZACIVSA-N 0 3 374.441 0.286 20 70 FCIDHN C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160296775 488790154 /nfs/dbraw/zinc/79/01/54/488790154.db2.gz YTXIGWGPHPTYJB-VHSXEESVSA-N 0 3 365.377 0.932 20 70 FCIDHN CCN1CCN(Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)CC1 ZINC000160358123 488791181 /nfs/dbraw/zinc/79/11/81/488791181.db2.gz ZPUBYPIASFQBKC-UHFFFAOYSA-N 0 3 359.474 0.641 20 70 FCIDHN CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@H]([NH2+]C)C3)cc(C(C)C)nc21 ZINC000160751067 488793525 /nfs/dbraw/zinc/79/35/25/488793525.db2.gz HRNLVUSEIHLTRC-NSHDSACASA-N 0 3 359.430 0.662 20 70 FCIDHN NC(=O)c1cccnc1N1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160749416 488793861 /nfs/dbraw/zinc/79/38/61/488793861.db2.gz VIZHHHXTTKIJLJ-HNNXBMFYSA-N 0 3 372.473 0.496 20 70 FCIDHN NC(=O)[C@@H]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)O1 ZINC000161429934 488796940 /nfs/dbraw/zinc/79/69/40/488796940.db2.gz GFJBGSCFYUXTOV-SJORKVTESA-N 0 3 360.458 0.348 20 70 FCIDHN CC[NH2+]CC1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000161041160 208834480 /nfs/dbraw/zinc/83/44/80/208834480.db2.gz DNNINFCJBPNDFH-GFCCVEGCSA-N 0 3 372.491 0.806 20 70 FCIDHN CC(C)[C@@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000160013455 488788946 /nfs/dbraw/zinc/78/89/46/488788946.db2.gz YJWNWKUWUSJZIZ-LLVKDONJSA-N 0 3 359.414 0.785 20 70 FCIDHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159517039 488785761 /nfs/dbraw/zinc/78/57/61/488785761.db2.gz ZJWCVOJYROAEEN-LBPRGKRZSA-N 0 3 359.430 0.012 20 70 FCIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000160570413 488792276 /nfs/dbraw/zinc/79/22/76/488792276.db2.gz QOBDACJWQZLZMD-UHFFFAOYSA-N 0 3 356.426 0.667 20 70 FCIDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cnc3c(c2)ncn3C)cn1 ZINC000160603905 488792804 /nfs/dbraw/zinc/79/28/04/488792804.db2.gz IVKFBSLFRTXKFK-UHFFFAOYSA-N 0 3 370.417 0.095 20 70 FCIDHN Cc1ncncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000161059149 488794580 /nfs/dbraw/zinc/79/45/80/488794580.db2.gz AQJNUQABLNYPFZ-KRWDZBQOSA-N 0 3 355.442 0.804 20 70 FCIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000161377894 488796387 /nfs/dbraw/zinc/79/63/87/488796387.db2.gz CDBWWYIEWATMTG-RISCZKNCSA-N 0 3 359.430 0.091 20 70 FCIDHN NC(=O)[C@H]1CCCN1C1CCN(CC(=O)NCc2cccs2)CC1 ZINC000159380538 488784648 /nfs/dbraw/zinc/78/46/48/488784648.db2.gz GZCIGDFTDZTXSC-OAHLLOKOSA-N 0 3 350.488 0.778 20 70 FCIDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000159770654 488787360 /nfs/dbraw/zinc/78/73/60/488787360.db2.gz KQARXSQQOSDAMB-ZDUSSCGKSA-N 0 3 373.457 0.545 20 70 FCIDHN CCCNC(=O)CN1CCC(NC(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000160009968 488788862 /nfs/dbraw/zinc/78/88/62/488788862.db2.gz MZBKAIIPLBPNEU-OAHLLOKOSA-N 0 3 356.536 0.531 20 70 FCIDHN Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000160394944 488790887 /nfs/dbraw/zinc/79/08/87/488790887.db2.gz HTVJVXQWEGVPNM-LBPRGKRZSA-N 0 3 367.881 0.982 20 70 FCIDHN C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)CN1CCN(C)CC1 ZINC000160385535 488790987 /nfs/dbraw/zinc/79/09/87/488790987.db2.gz VFGQKLUEYDGUSR-GOSISDBHSA-N 0 3 374.533 0.792 20 70 FCIDHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160565040 488791935 /nfs/dbraw/zinc/79/19/35/488791935.db2.gz JXPTYJAWZHIKOI-MSOLQXFVSA-N 0 3 372.473 0.728 20 70 FCIDHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160657094 488792761 /nfs/dbraw/zinc/79/27/61/488792761.db2.gz GVSYJIQNTKMZPC-HOTGVXAUSA-N 0 3 372.535 0.974 20 70 FCIDHN O=C(CCn1cnc2sccc2c1=O)NCC1CCN(CCO)CC1 ZINC000160619305 488792851 /nfs/dbraw/zinc/79/28/51/488792851.db2.gz CJEWQBVAXKTYGQ-UHFFFAOYSA-N 0 3 364.471 0.669 20 70 FCIDHN Cc1cccc2c(=O)n(CCC(=O)NCC3CCN(CCO)CC3)cnc12 ZINC000160694801 488793192 /nfs/dbraw/zinc/79/31/92/488793192.db2.gz SNRYOGFPDVQRSX-UHFFFAOYSA-N 0 3 372.469 0.916 20 70 FCIDHN COCCC1(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000161063639 488794574 /nfs/dbraw/zinc/79/45/74/488794574.db2.gz JDVKHNFFIYJXOK-OAHLLOKOSA-N 0 3 352.479 0.751 20 70 FCIDHN CC(C)[C@H]1CN(C)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000159548318 527847529 /nfs/dbraw/zinc/84/75/29/527847529.db2.gz NKKIBDOPCLNTQQ-MRXNPFEDSA-N 0 3 353.511 0.521 20 70 FCIDHN NC(=O)N[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000160696111 208832178 /nfs/dbraw/zinc/83/21/78/208832178.db2.gz UNOZYZRQCZKRIT-OLZOCXBDSA-N 0 3 354.476 0.811 20 70 FCIDHN Cc1ccc(-c2nnn(CC(=O)NC[C@@H](O)CN3CCCCC3)n2)cc1 ZINC000160001680 229197237 /nfs/dbraw/zinc/19/72/37/229197237.db2.gz VMZAQXDXDNWVKK-MRXNPFEDSA-N 0 3 358.446 0.612 20 70 FCIDHN C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)CN1CCN(C)CC1 ZINC000159431586 488785360 /nfs/dbraw/zinc/78/53/60/488785360.db2.gz WBZPMZJNGBUILB-HOTGVXAUSA-N 0 3 364.494 0.925 20 70 FCIDHN CCCNC(=O)CN1CCC(NC(=O)N2CCCN(CC)CC2)CC1 ZINC000159645775 488786340 /nfs/dbraw/zinc/78/63/40/488786340.db2.gz JABWGNFPFUUUQS-UHFFFAOYSA-N 0 3 353.511 0.714 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000159975962 488788610 /nfs/dbraw/zinc/78/86/10/488788610.db2.gz JZNCVHGNKRFWHB-DOTOQJQBSA-N 0 3 360.458 0.393 20 70 FCIDHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC1CCN(CCO)CC1 ZINC000160652855 488792728 /nfs/dbraw/zinc/79/27/28/488792728.db2.gz NSSNFHIJGKGRIP-INIZCTEOSA-N 0 3 351.447 0.855 20 70 FCIDHN Cn1c2ccccc2n(CCC(=O)NC[C@@H](O)CN2CCCCC2)c1=O ZINC000160645925 488792755 /nfs/dbraw/zinc/79/27/55/488792755.db2.gz XAAJBGFRWYPGKF-OAHLLOKOSA-N 0 3 360.458 0.693 20 70 FCIDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000159770513 488787295 /nfs/dbraw/zinc/78/72/95/488787295.db2.gz KQARXSQQOSDAMB-CYBMUJFWSA-N 0 3 373.457 0.545 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000160181296 488789932 /nfs/dbraw/zinc/78/99/32/488789932.db2.gz RILPGHVKTGNBPI-QZTJIDSGSA-N 0 3 374.485 0.897 20 70 FCIDHN CC[C@@H](C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)N(C)C ZINC000160244812 488790044 /nfs/dbraw/zinc/79/00/44/488790044.db2.gz JWAVDXNIUSAWTH-AWEZNQCLSA-N 0 3 372.491 0.855 20 70 FCIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160639683 488792831 /nfs/dbraw/zinc/79/28/31/488792831.db2.gz XYKIVANFJLUQLO-HZPDHXFCSA-N 0 3 350.463 0.504 20 70 FCIDHN Cc1cnn(-c2ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc2F)c1 ZINC000161473226 488797254 /nfs/dbraw/zinc/79/72/54/488797254.db2.gz OQGIWLCSUMKFIM-MRXNPFEDSA-N 0 3 370.450 0.911 20 70 FCIDHN O=C(CCn1ncc(=O)c2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160473140 229196931 /nfs/dbraw/zinc/19/69/31/229196931.db2.gz VZYMNIXKLDXULC-HNNXBMFYSA-N 0 3 358.442 0.750 20 70 FCIDHN NC(=O)[C@H]1CCCN1C1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000159369568 488784590 /nfs/dbraw/zinc/78/45/90/488784590.db2.gz YITYVCJRYBVQGA-GOSISDBHSA-N 0 3 374.485 0.596 20 70 FCIDHN O=C(NCC1CCN(CCO)CC1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159646991 488786160 /nfs/dbraw/zinc/78/61/60/488786160.db2.gz BQEHTPPETXVEQC-OAHLLOKOSA-N 0 3 351.451 0.745 20 70 FCIDHN CN(C)CCn1nnnc1S[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159577121 488786262 /nfs/dbraw/zinc/78/62/62/488786262.db2.gz RXAGGBHNSBOBBM-SECBINFHSA-N 0 3 352.386 0.880 20 70 FCIDHN CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCN(C)C1 ZINC000159907727 488788021 /nfs/dbraw/zinc/78/80/21/488788021.db2.gz WVCCJABZCPERDU-INIZCTEOSA-N 0 3 374.489 0.458 20 70 FCIDHN CCN1CCC[C@H]1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000159906262 488788112 /nfs/dbraw/zinc/78/81/12/488788112.db2.gz BYPUCGWTUYMAPR-LBPRGKRZSA-N 0 3 359.430 0.155 20 70 FCIDHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000160009867 488788966 /nfs/dbraw/zinc/78/89/66/488788966.db2.gz JBLWTLLJMMWQCD-GFCCVEGCSA-N 0 3 371.425 0.943 20 70 FCIDHN O=C(CNC(=O)N1CCc2ccccc2C1)NC[C@@H](O)CN1CCCCC1 ZINC000160204127 488789679 /nfs/dbraw/zinc/78/96/79/488789679.db2.gz LZCDMBKQRSMLJD-GOSISDBHSA-N 0 3 374.485 0.717 20 70 FCIDHN CNC(=O)CN1CCC(NC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000160448215 488791758 /nfs/dbraw/zinc/79/17/58/488791758.db2.gz AUVSJUOQHQFDQP-UHFFFAOYSA-N 0 3 353.511 0.713 20 70 FCIDHN Cn1cc(N2CCC[C@@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cn1 ZINC000160519164 488792102 /nfs/dbraw/zinc/79/21/02/488792102.db2.gz HWCPKLASDMPRQS-QGZVFWFLSA-N 0 3 374.489 0.156 20 70 FCIDHN Cc1noc2ncc(S(=O)(=O)NCC3CCN(CCO)CC3)cc12 ZINC000161387521 534492674 /nfs/dbraw/zinc/49/26/74/534492674.db2.gz GHYHWGMLVRTEOU-UHFFFAOYSA-N 0 3 354.432 0.514 20 70 FCIDHN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccncc2)CC1 ZINC000161387533 546576747 /nfs/dbraw/zinc/57/67/47/546576747.db2.gz ASCNPWJUFHCNET-ZBFHGGJFSA-N 0 3 366.487 0.238 20 70 FCIDHN C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)CN1CCN(C)CC1 ZINC000159431715 488785050 /nfs/dbraw/zinc/78/50/50/488785050.db2.gz WBZPMZJNGBUILB-CVEARBPZSA-N 0 3 364.494 0.925 20 70 FCIDHN NCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000159875268 488787748 /nfs/dbraw/zinc/78/77/48/488787748.db2.gz CPUIGPMKOJJYQR-UHFFFAOYSA-N 0 3 356.220 0.457 20 70 FCIDHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000159927815 488788537 /nfs/dbraw/zinc/78/85/37/488788537.db2.gz FFHGRXHWNGSLAC-ZBFHGGJFSA-N 0 3 351.447 0.997 20 70 FCIDHN CN1C(=O)C[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)[C@@H]1c1cccnc1 ZINC000160315611 488790170 /nfs/dbraw/zinc/79/01/70/488790170.db2.gz FDZPKKMFPBVNMO-JZXOWHBKSA-N 0 3 360.458 0.564 20 70 FCIDHN CC(C)C[C@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000160712642 488793198 /nfs/dbraw/zinc/79/31/98/488793198.db2.gz YWWAMRFAIBFOHT-YDHLFZDLSA-N 0 3 351.451 0.831 20 70 FCIDHN CCn1c(=O)[nH]c2cc(C(=O)NCC3CCN(CCO)CC3)ccc2c1=O ZINC000160666943 488793265 /nfs/dbraw/zinc/79/32/65/488793265.db2.gz NTHHCZKWDOXHOJ-UHFFFAOYSA-N 0 3 374.441 0.144 20 70 FCIDHN CNC(=O)COc1cccc(CC(=O)NCCCN2CCN(C)CC2)c1 ZINC000161173625 488795300 /nfs/dbraw/zinc/79/53/00/488795300.db2.gz KHNQBWAYUQLSOA-UHFFFAOYSA-N 0 3 362.474 0.108 20 70 FCIDHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000161238015 488795715 /nfs/dbraw/zinc/79/57/15/488795715.db2.gz XTYUFQRIXWCQBY-CJNGLKHVSA-N 0 3 358.442 0.925 20 70 FCIDHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000161238015 488795717 /nfs/dbraw/zinc/79/57/17/488795717.db2.gz XTYUFQRIXWCQBY-CJNGLKHVSA-N 0 3 358.442 0.925 20 70 FCIDHN Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)c1 ZINC000161364093 488796165 /nfs/dbraw/zinc/79/61/65/488796165.db2.gz VJNSMDOYBUYHMD-QZTJIDSGSA-N 0 3 374.485 0.656 20 70 FCIDHN CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H](O)CN2CCCCC2)nn1 ZINC000159935507 527567448 /nfs/dbraw/zinc/56/74/48/527567448.db2.gz YWWNUEHKFIEVOQ-CYBMUJFWSA-N 0 3 351.451 0.470 20 70 FCIDHN CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000160556842 488792241 /nfs/dbraw/zinc/79/22/41/488792241.db2.gz YOHVYFIXHWFYGY-CYBMUJFWSA-N 0 3 352.435 0.693 20 70 FCIDHN CCCc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n2ncnc2n1 ZINC000160798247 488793681 /nfs/dbraw/zinc/79/36/81/488793681.db2.gz QLARDCRKORHTEH-HNNXBMFYSA-N 0 3 357.462 0.995 20 70 FCIDHN NC(=O)c1cccnc1N1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160749345 488793809 /nfs/dbraw/zinc/79/38/09/488793809.db2.gz VIZHHHXTTKIJLJ-OAHLLOKOSA-N 0 3 372.473 0.496 20 70 FCIDHN Cc1ccc(S(=O)(=O)N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000161288820 488795835 /nfs/dbraw/zinc/79/58/35/488795835.db2.gz CRIGQYRVZNJVBB-HNNXBMFYSA-N 0 3 372.512 0.925 20 70 FCIDHN NC(=O)[C@@H]1CCCN1C1CCN(CC(=O)NCc2cccs2)CC1 ZINC000159380670 488784736 /nfs/dbraw/zinc/78/47/36/488784736.db2.gz GZCIGDFTDZTXSC-HNNXBMFYSA-N 0 3 350.488 0.778 20 70 FCIDHN CN(C)[C@@H](CNC(=O)CN1CCN(c2nccn2C)CC1)c1ccccc1 ZINC000159416086 488785111 /nfs/dbraw/zinc/78/51/11/488785111.db2.gz JTILZLMWGMQBNI-SFHVURJKSA-N 0 3 370.501 0.961 20 70 FCIDHN Cc1nc(CC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c(C)s1 ZINC000159535449 488785945 /nfs/dbraw/zinc/78/59/45/488785945.db2.gz MQXGKURZEUVODK-UHFFFAOYSA-N 0 3 364.475 0.815 20 70 FCIDHN COC(=O)c1ccc(NCCCCN2CCN(CCO)CC2)nc1C ZINC000159775330 488787599 /nfs/dbraw/zinc/78/75/99/488787599.db2.gz UGQLYUOJEBEOIW-UHFFFAOYSA-N 0 3 350.463 0.979 20 70 FCIDHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000159927702 488788457 /nfs/dbraw/zinc/78/84/57/488788457.db2.gz FFHGRXHWNGSLAC-GOEBONIOSA-N 0 3 351.447 0.997 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000160032663 488788848 /nfs/dbraw/zinc/78/88/48/488788848.db2.gz OVEOMQYZYZEGDO-ZWKOTPCHSA-N 0 3 359.470 0.998 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000160594387 488792283 /nfs/dbraw/zinc/79/22/83/488792283.db2.gz AIGXGWCWNSGHSN-MRXNPFEDSA-N 0 3 356.426 0.809 20 70 FCIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160640042 488792857 /nfs/dbraw/zinc/79/28/57/488792857.db2.gz XYKIVANFJLUQLO-HOTGVXAUSA-N 0 3 350.463 0.504 20 70 FCIDHN O=C(CNC(=O)Cc1cccc(F)c1)NCC1CCN(CCO)CC1 ZINC000160666658 488793087 /nfs/dbraw/zinc/79/30/87/488793087.db2.gz UJPQDORTVLWSTI-UHFFFAOYSA-N 0 3 351.422 0.305 20 70 FCIDHN Cn1cc(S(=O)(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cn1 ZINC000161124847 488795310 /nfs/dbraw/zinc/79/53/10/488795310.db2.gz ZVGMLGBNDUUKLE-UHFFFAOYSA-N 0 3 364.471 0.855 20 70 FCIDHN Cc1c(C(=O)N[C@@H](C)CN2CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000161430551 488796957 /nfs/dbraw/zinc/79/69/57/488796957.db2.gz LSYLADAGJSYQFU-LBPRGKRZSA-N 0 3 373.457 0.545 20 70 FCIDHN CCN1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000159796715 529025294 /nfs/dbraw/zinc/02/52/94/529025294.db2.gz JQYWNYRRQDOGCC-MRXNPFEDSA-N 0 3 353.511 0.666 20 70 FCIDHN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccncc2)CC1 ZINC000161387444 547386828 /nfs/dbraw/zinc/38/68/28/547386828.db2.gz ASCNPWJUFHCNET-HOCLYGCPSA-N 0 3 366.487 0.238 20 70 FCIDHN COc1ccccc1CNC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159374945 488784529 /nfs/dbraw/zinc/78/45/29/488784529.db2.gz MBYFGOZCWMPQSE-QGZVFWFLSA-N 0 3 374.485 0.726 20 70 FCIDHN NC(=O)[C@@H]1CCCN1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000159420319 488785340 /nfs/dbraw/zinc/78/53/40/488785340.db2.gz WHNNBUGAGAZBRI-QWHCGFSZSA-N 0 3 362.396 0.564 20 70 FCIDHN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160516317 488791922 /nfs/dbraw/zinc/79/19/22/488791922.db2.gz KLHKEPAYDRJBJC-RTBURBONSA-N 0 3 359.470 0.923 20 70 FCIDHN CCc1noc(C)c1NC(=O)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000160556708 488792088 /nfs/dbraw/zinc/79/20/88/488792088.db2.gz YOHVYFIXHWFYGY-ZDUSSCGKSA-N 0 3 352.435 0.693 20 70 FCIDHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)cnc21 ZINC000161240742 488795777 /nfs/dbraw/zinc/79/57/77/488795777.db2.gz FVXSHJLZKZKALJ-SWLSCSKDSA-N 0 3 373.457 0.953 20 70 FCIDHN CCn1c2ccccc2n(CC(=O)NC[C@@H](O)CN2CCCCC2)c1=O ZINC000159923560 229197055 /nfs/dbraw/zinc/19/70/55/229197055.db2.gz OVGGICIFTREAMX-OAHLLOKOSA-N 0 3 360.458 0.786 20 70 FCIDHN CCN1CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000159704672 488786995 /nfs/dbraw/zinc/78/69/95/488786995.db2.gz YSHBDANDXIVSIB-UHFFFAOYSA-N 0 3 361.494 0.336 20 70 FCIDHN C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)n1nnc(-c2ccccc2)n1 ZINC000160012582 488789082 /nfs/dbraw/zinc/78/90/82/488789082.db2.gz NRWMOFBWDJVMNN-GDBMZVCRSA-N 0 3 358.446 0.864 20 70 FCIDHN CN(C)CCN1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160194797 488790035 /nfs/dbraw/zinc/79/00/35/488790035.db2.gz JOKAXOGEIQCDMV-UHFFFAOYSA-N 0 3 361.481 0.995 20 70 FCIDHN Cc1cccc2c(=O)n(CC(=O)NCC3CCN(CCO)CC3)cnc12 ZINC000160625934 488792583 /nfs/dbraw/zinc/79/25/83/488792583.db2.gz ZCRKCABXAZOMAW-UHFFFAOYSA-N 0 3 358.442 0.525 20 70 FCIDHN O=C(NCCO)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160639247 488792779 /nfs/dbraw/zinc/79/27/79/488792779.db2.gz FFWYWJRACHFZQP-OAHLLOKOSA-N 0 3 357.414 0.377 20 70 FCIDHN CC1CCN(C[C@H](O)CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000160776272 488793629 /nfs/dbraw/zinc/79/36/29/488793629.db2.gz BAFPUEUXDUTUKL-CQSZACIVSA-N 0 3 365.478 0.716 20 70 FCIDHN CC(C)[N@H+]1C[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H](C)C1 ZINC000161238112 488795576 /nfs/dbraw/zinc/79/55/76/488795576.db2.gz XTYUFQRIXWCQBY-BBRMVZONSA-N 0 3 358.442 0.925 20 70 FCIDHN CC(C)[N@@H+]1C[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H](C)C1 ZINC000161238112 488795577 /nfs/dbraw/zinc/79/55/77/488795577.db2.gz XTYUFQRIXWCQBY-BBRMVZONSA-N 0 3 358.442 0.925 20 70 FCIDHN NC(=O)[C@H]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)O1 ZINC000161429733 488796651 /nfs/dbraw/zinc/79/66/51/488796651.db2.gz GFJBGSCFYUXTOV-IAGOWNOFSA-N 0 3 360.458 0.348 20 70 FCIDHN Cc1cnn(-c2ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc2F)c1 ZINC000161473110 488797161 /nfs/dbraw/zinc/79/71/61/488797161.db2.gz OQGIWLCSUMKFIM-INIZCTEOSA-N 0 3 370.450 0.911 20 70 FCIDHN Cc1nn(C)c2ncc(S(=O)(=O)NCC3CCN(CCO)CC3)cc12 ZINC000161413653 229199193 /nfs/dbraw/zinc/19/91/93/229199193.db2.gz QJOJSSXYAAZYBA-UHFFFAOYSA-N 0 3 367.475 0.259 20 70 FCIDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)n1nnc(-c2ccccc2)n1 ZINC000160012396 488788995 /nfs/dbraw/zinc/78/89/95/488788995.db2.gz NRWMOFBWDJVMNN-GOEBONIOSA-N 0 3 358.446 0.864 20 70 FCIDHN C[C@H](CO)NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160134625 488789516 /nfs/dbraw/zinc/78/95/16/488789516.db2.gz ISBIVGZUEVILIC-GDBMZVCRSA-N 0 3 371.441 0.766 20 70 FCIDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000160518217 488792298 /nfs/dbraw/zinc/79/22/98/488792298.db2.gz RXYXFBQQWKWSPR-INIZCTEOSA-N 0 3 368.441 0.646 20 70 FCIDHN NC(=O)[C@H]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)O1 ZINC000161429677 488796960 /nfs/dbraw/zinc/79/69/60/488796960.db2.gz GFJBGSCFYUXTOV-DLBZAZTESA-N 0 3 360.458 0.348 20 70 FCIDHN CCCS(=O)(=O)N1CCC(NC(=O)N2CCCN(CC)CC2)CC1 ZINC000159596793 528802773 /nfs/dbraw/zinc/80/27/73/528802773.db2.gz UAOWYIDBBLESIT-UHFFFAOYSA-N 0 3 360.524 0.928 20 70 FCIDHN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccncc2)CC1 ZINC000161387171 547387041 /nfs/dbraw/zinc/38/70/41/547387041.db2.gz ASCNPWJUFHCNET-GOEBONIOSA-N 0 3 366.487 0.238 20 70 FCIDHN C[C@@H]1CN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C[C@@H](C)O1 ZINC000159382595 488785203 /nfs/dbraw/zinc/78/52/03/488785203.db2.gz YNCBWCCLNUNDHE-IIAWOOMASA-N 0 3 352.479 0.036 20 70 FCIDHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159682323 488786958 /nfs/dbraw/zinc/78/69/58/488786958.db2.gz NCBVHNNBFOXUOO-UHFFFAOYSA-N 0 3 357.480 0.127 20 70 FCIDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000159806171 488787357 /nfs/dbraw/zinc/78/73/57/488787357.db2.gz HGGBXUWNNCZZCU-QGZVFWFLSA-N 0 3 368.441 0.646 20 70 FCIDHN CN(C)c1cccc(CN(C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000159862247 488787753 /nfs/dbraw/zinc/78/77/53/488787753.db2.gz OCFXXKYUJQTKJT-UHFFFAOYSA-N 0 3 370.457 0.632 20 70 FCIDHN C[C@@H](N)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000159875428 488787769 /nfs/dbraw/zinc/78/77/69/488787769.db2.gz KTNCBTKWCWVHMP-LLVKDONJSA-N 0 3 370.247 0.846 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000160032518 488789099 /nfs/dbraw/zinc/78/90/99/488789099.db2.gz OVEOMQYZYZEGDO-QZTJIDSGSA-N 0 3 359.470 0.998 20 70 FCIDHN O=C(CCn1cnc2sccc2c1=O)NC[C@@H](O)CN1CCCCC1 ZINC000160149948 488789754 /nfs/dbraw/zinc/78/97/54/488789754.db2.gz JVTUFCJDCLXODB-CYBMUJFWSA-N 0 3 364.471 0.811 20 70 FCIDHN COCc1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)CC(C)C)CC2 ZINC000160624040 488792891 /nfs/dbraw/zinc/79/28/91/488792891.db2.gz SWRPFHMOGPJTCJ-AWEZNQCLSA-N 0 3 352.483 0.969 20 70 FCIDHN NC(=O)NC1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000160967233 488794102 /nfs/dbraw/zinc/79/41/02/488794102.db2.gz YBBOGXCSMWJVFL-UHFFFAOYSA-N 0 3 373.501 0.902 20 70 FCIDHN NC(=O)[C@@H]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)O1 ZINC000161116807 488794973 /nfs/dbraw/zinc/79/49/73/488794973.db2.gz SWKWRHFGDQOXHG-MSOLQXFVSA-N 0 3 374.485 0.738 20 70 FCIDHN CCCCN1CCc2ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc21 ZINC000161319599 488796144 /nfs/dbraw/zinc/79/61/44/488796144.db2.gz FXPBRNIMZCJWHB-MRXNPFEDSA-N 0 3 362.474 0.826 20 70 FCIDHN Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1 ZINC000161438377 488796629 /nfs/dbraw/zinc/79/66/29/488796629.db2.gz OSFPOIYCLSRHEW-LBPRGKRZSA-N 0 3 358.508 0.750 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(C(=O)N2CCCC2)n1 ZINC000160387205 534538294 /nfs/dbraw/zinc/53/82/94/534538294.db2.gz QDLPRVPDPUIBRS-OAHLLOKOSA-N 0 3 360.458 0.894 20 70 FCIDHN CC(C)C[C@H](N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000160712777 208832267 /nfs/dbraw/zinc/83/22/67/208832267.db2.gz YWWAMRFAIBFOHT-NFAWXSAZSA-N 0 3 351.451 0.831 20 70 FCIDHN NC(=O)[C@H]1CCCN1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000159420182 488785256 /nfs/dbraw/zinc/78/52/56/488785256.db2.gz WHNNBUGAGAZBRI-CHWSQXEVSA-N 0 3 362.396 0.564 20 70 FCIDHN C[C@@H]1CN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C[C@H](C)O1 ZINC000159382321 488785407 /nfs/dbraw/zinc/78/54/07/488785407.db2.gz YNCBWCCLNUNDHE-IJEWVQPXSA-N 0 3 352.479 0.036 20 70 FCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000159975829 488788591 /nfs/dbraw/zinc/78/85/91/488788591.db2.gz JZNCVHGNKRFWHB-NVXWUHKLSA-N 0 3 360.458 0.393 20 70 FCIDHN CC(C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1)S(C)(=O)=O ZINC000160083654 488789280 /nfs/dbraw/zinc/78/92/80/488789280.db2.gz PDWYAIVFQVYQPP-GFCCVEGCSA-N 0 3 350.444 0.640 20 70 FCIDHN O=C(CCn1nnc2ccccc2c1=O)NC[C@@H](O)CN1CCCCC1 ZINC000160402137 488790996 /nfs/dbraw/zinc/79/09/96/488790996.db2.gz CRMZPHYAJHVEJT-CQSZACIVSA-N 0 3 359.430 0.145 20 70 FCIDHN CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)(CO)CO ZINC000159596856 208822438 /nfs/dbraw/zinc/82/24/38/208822438.db2.gz VBOJFYARJIZUEY-UHFFFAOYSA-N 0 3 367.465 0.787 20 70 FCIDHN O=C(CCn1ncc(=O)c2ccccc21)NC[C@@H](O)CN1CCCCC1 ZINC000160473267 229196405 /nfs/dbraw/zinc/19/64/05/229196405.db2.gz VZYMNIXKLDXULC-OAHLLOKOSA-N 0 3 358.442 0.750 20 70 FCIDHN CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@H]([NH2+]C)C3)cc(C3CC3)nc21 ZINC000160524654 229197772 /nfs/dbraw/zinc/19/77/72/229197772.db2.gz SBFNJKSFDKTUTO-NSHDSACASA-N 0 3 357.414 0.416 20 70 FCIDHN CC(C)c1nc(NCCCCN2CCN(CCO)CC2)nc(N(C)C)n1 ZINC000159775858 488787455 /nfs/dbraw/zinc/78/74/55/488787455.db2.gz GUOZULBQJRUWEN-UHFFFAOYSA-N 0 3 365.526 0.863 20 70 FCIDHN CCN1CCCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000159840935 488787900 /nfs/dbraw/zinc/78/79/00/488787900.db2.gz KFLQXIYJPRCSSU-UHFFFAOYSA-N 0 3 360.524 0.233 20 70 FCIDHN CCCCN(C)CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000159952604 488788447 /nfs/dbraw/zinc/78/84/47/488788447.db2.gz NDLZSGIFXLRONG-UHFFFAOYSA-N 0 3 361.446 0.402 20 70 FCIDHN COCCN1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1=O ZINC000160224663 488789961 /nfs/dbraw/zinc/78/99/61/488789961.db2.gz BWTCZSXCVRRCMB-QGZVFWFLSA-N 0 3 362.474 0.196 20 70 FCIDHN [NH3+][C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000160320370 488790482 /nfs/dbraw/zinc/79/04/82/488790482.db2.gz QGQBLPVBQVEQPT-SSDOTTSWSA-N 0 3 368.278 0.349 20 70 FCIDHN Cc1cc(=O)c(C(=O)NCC2CCN(CCO)CC2)nn1-c1ccccc1 ZINC000160546181 488792134 /nfs/dbraw/zinc/79/21/34/488792134.db2.gz KEDDFDCSAHDNAB-UHFFFAOYSA-N 0 3 370.453 0.975 20 70 FCIDHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)O1 ZINC000161429832 488796719 /nfs/dbraw/zinc/79/67/19/488796719.db2.gz GFJBGSCFYUXTOV-IRXDYDNUSA-N 0 3 360.458 0.348 20 70 FCIDHN C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)CN1CCN(C)CC1 ZINC000159431848 488785083 /nfs/dbraw/zinc/78/50/83/488785083.db2.gz WBZPMZJNGBUILB-JKSUJKDBSA-N 0 3 364.494 0.925 20 70 FCIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000160013044 488788746 /nfs/dbraw/zinc/78/87/46/488788746.db2.gz PIJQUOVCVIBKNG-UAGQMJEPSA-N 0 3 357.458 0.926 20 70 FCIDHN O=C(CN1CCN(c2ccccn2)CC1)NC[C@@H](O)CN1CCCCC1 ZINC000160442770 488791475 /nfs/dbraw/zinc/79/14/75/488791475.db2.gz XXRACTHKMUSACO-QGZVFWFLSA-N 0 3 361.490 0.167 20 70 FCIDHN O=C(CNC(=O)c1cc2ccccc2[nH]1)NC[C@@H](O)CN1CCCCC1 ZINC000160506972 488791738 /nfs/dbraw/zinc/79/17/38/488791738.db2.gz GRIDYJWWQMWWMA-OAHLLOKOSA-N 0 3 358.442 0.861 20 70 FCIDHN O=C(CCn1cnc2ccccc2c1=O)NC[C@@H](O)CN1CCCCC1 ZINC000160644348 488792565 /nfs/dbraw/zinc/79/25/65/488792565.db2.gz IMCKNUYVKAQOAB-OAHLLOKOSA-N 0 3 358.442 0.750 20 70 FCIDHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160656864 488792703 /nfs/dbraw/zinc/79/27/03/488792703.db2.gz GVSYJIQNTKMZPC-CVEARBPZSA-N 0 3 372.535 0.974 20 70 FCIDHN O=S(=O)(NCc1ccc(CN2CCC(O)CC2)cc1)c1c[nH]cn1 ZINC000161135657 534869637 /nfs/dbraw/zinc/86/96/37/534869637.db2.gz PMZWFZWETYGPBR-UHFFFAOYSA-N 0 3 350.444 0.845 20 70 FCIDHN CCN(C(=O)CN1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161392063 547386759 /nfs/dbraw/zinc/38/67/59/547386759.db2.gz OECSFTAAIDFPGF-MRXNPFEDSA-N 0 3 366.487 0.239 20 70 FCIDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC1CCOCC1 ZINC000159794736 488787346 /nfs/dbraw/zinc/78/73/46/488787346.db2.gz QXYXVUDNGOIOJD-MRXNPFEDSA-N 0 3 354.495 0.997 20 70 FCIDHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC1CCN(CCO)CC1 ZINC000160652996 488792468 /nfs/dbraw/zinc/79/24/68/488792468.db2.gz NSSNFHIJGKGRIP-MRXNPFEDSA-N 0 3 351.447 0.855 20 70 FCIDHN O=C(NCCO)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000160639107 488792722 /nfs/dbraw/zinc/79/27/22/488792722.db2.gz FFWYWJRACHFZQP-HNNXBMFYSA-N 0 3 357.414 0.377 20 70 FCIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160639804 488792840 /nfs/dbraw/zinc/79/28/40/488792840.db2.gz XYKIVANFJLUQLO-CVEARBPZSA-N 0 3 350.463 0.504 20 70 FCIDHN O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCN(CCO)CC1 ZINC000160712739 488793230 /nfs/dbraw/zinc/79/32/30/488793230.db2.gz AFBCVSYLJUUNDO-UHFFFAOYSA-N 0 3 370.453 0.731 20 70 FCIDHN NC(=O)[C@H]1CC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)O1 ZINC000161116479 488794968 /nfs/dbraw/zinc/79/49/68/488794968.db2.gz SWKWRHFGDQOXHG-ZWKOTPCHSA-N 0 3 374.485 0.738 20 70 FCIDHN CCN1CCC(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000159911347 528985468 /nfs/dbraw/zinc/98/54/68/528985468.db2.gz RSWNWPKROBZXTE-UHFFFAOYSA-N 0 3 359.430 0.155 20 70 FCIDHN CN(C)C[C@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)F)nn2)C1 ZINC001164732535 720525934 /nfs/dbraw/zinc/52/59/34/720525934.db2.gz DISCXYISAGNVIZ-NSHDSACASA-N 0 3 354.411 0.529 20 70 FCIDHN C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCC[NH3+] ZINC000160135099 488789239 /nfs/dbraw/zinc/78/92/39/488789239.db2.gz CKEYTVYBKZSASX-SECBINFHSA-N 0 3 353.366 0.837 20 70 FCIDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ncccc1F ZINC000159841169 488787860 /nfs/dbraw/zinc/78/78/60/488787860.db2.gz QVCSFNFIWFMZFZ-OAHLLOKOSA-N 0 3 351.426 0.963 20 70 FCIDHN C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)CN1CCN(C)CC1 ZINC000160385424 488790817 /nfs/dbraw/zinc/79/08/17/488790817.db2.gz VFGQKLUEYDGUSR-SFHVURJKSA-N 0 3 374.533 0.792 20 70 FCIDHN Cc1cc(Cl)ncc1NC(=O)C(=O)NCCCN1CCC(O)CC1 ZINC000160391730 488790935 /nfs/dbraw/zinc/79/09/35/488790935.db2.gz SMXQZGQLFKEKKD-UHFFFAOYSA-N 0 3 354.838 0.945 20 70 FCIDHN CN(C)Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000160496128 488791647 /nfs/dbraw/zinc/79/16/47/488791647.db2.gz KAZZVXMUXHWBED-UHFFFAOYSA-N 0 3 358.442 0.311 20 70 FCIDHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160657231 488792527 /nfs/dbraw/zinc/79/25/27/488792527.db2.gz GVSYJIQNTKMZPC-JKSUJKDBSA-N 0 3 372.535 0.974 20 70 FCIDHN CCCCN1CCc2ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc21 ZINC000161319478 488796159 /nfs/dbraw/zinc/79/61/59/488796159.db2.gz FXPBRNIMZCJWHB-INIZCTEOSA-N 0 3 362.474 0.826 20 70 FCIDHN CCN(C(=O)CN1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000161392181 547386841 /nfs/dbraw/zinc/38/68/41/547386841.db2.gz OECSFTAAIDFPGF-INIZCTEOSA-N 0 3 366.487 0.239 20 70 FCIDHN Cc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000159497528 488785748 /nfs/dbraw/zinc/78/57/48/488785748.db2.gz JIGWLMLGBGFIOO-ZDUSSCGKSA-N 0 3 371.441 0.155 20 70 FCIDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 ZINC000159807783 488788094 /nfs/dbraw/zinc/78/80/94/488788094.db2.gz YMVLSEGWTNZFBD-MRXNPFEDSA-N 0 3 364.490 0.590 20 70 FCIDHN O=C(Cn1cc(Br)ccc1=O)NC[C@@H](O)CN1CCCCC1 ZINC000160328394 488790448 /nfs/dbraw/zinc/79/04/48/488790448.db2.gz PEJZDMNLUKDUOG-CYBMUJFWSA-N 0 3 372.263 0.574 20 70 FCIDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cnn(C)c1 ZINC000160364736 488790841 /nfs/dbraw/zinc/79/08/41/488790841.db2.gz BBSABXAZYGLYHQ-INIZCTEOSA-N 0 3 358.446 0.831 20 70 FCIDHN CC(C)CCn1ccc(NC(=O)C(=O)NCCCN2CCC(O)CC2)n1 ZINC000160391456 488791239 /nfs/dbraw/zinc/79/12/39/488791239.db2.gz CUTNAICGBLSHGS-UHFFFAOYSA-N 0 3 365.478 0.831 20 70 FCIDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160476747 488791518 /nfs/dbraw/zinc/79/15/18/488791518.db2.gz RQKKJKDPAAZUGO-JYJNAYRXSA-N 0 3 354.495 0.732 20 70 FCIDHN Cn1cc(N2CCC[C@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cn1 ZINC000160519050 488791901 /nfs/dbraw/zinc/79/19/01/488791901.db2.gz HWCPKLASDMPRQS-KRWDZBQOSA-N 0 3 374.489 0.156 20 70 FCIDHN COCc1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)CC(C)C)CC2 ZINC000160623916 488792661 /nfs/dbraw/zinc/79/26/61/488792661.db2.gz SWRPFHMOGPJTCJ-CQSZACIVSA-N 0 3 352.483 0.969 20 70 FCIDHN CC1CCN(C2CCC(NS(=O)(=O)CCS(C)(=O)=O)CC2)CC1 ZINC000160964076 488794287 /nfs/dbraw/zinc/79/42/87/488794287.db2.gz JWDWQLPWPWGYFH-UHFFFAOYSA-N 0 3 366.549 0.994 20 70 FCIDHN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccncc3)CC2)co1 ZINC000160288664 547383321 /nfs/dbraw/zinc/38/33/21/547383321.db2.gz YRWZVXGWBYJPRM-UHFFFAOYSA-N 0 3 364.427 0.887 20 70 FCIDHN CN(CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCSC1 ZINC000159509382 488785755 /nfs/dbraw/zinc/78/57/55/488785755.db2.gz QEPKZYIHQBZDEZ-MRXNPFEDSA-N 0 3 363.531 0.887 20 70 FCIDHN CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCN(C)C1 ZINC000159907866 488787985 /nfs/dbraw/zinc/78/79/85/488787985.db2.gz WVCCJABZCPERDU-MRXNPFEDSA-N 0 3 374.489 0.458 20 70 FCIDHN O=C(NCCCO)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159925293 488788209 /nfs/dbraw/zinc/78/82/09/488788209.db2.gz GMPXIWNOZAHENV-MRXNPFEDSA-N 0 3 371.441 0.767 20 70 FCIDHN O=C(CCn1cnc2ccccc2c1=O)NCC1CCN(CCO)CC1 ZINC000160715622 488793024 /nfs/dbraw/zinc/79/30/24/488793024.db2.gz MLBSVUPDQXSXPY-UHFFFAOYSA-N 0 3 358.442 0.607 20 70 FCIDHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)cnc21 ZINC000161240880 488795809 /nfs/dbraw/zinc/79/58/09/488795809.db2.gz FVXSHJLZKZKALJ-WFASDCNBSA-N 0 3 373.457 0.953 20 70 FCIDHN COCCN1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1=O ZINC000160224534 488789798 /nfs/dbraw/zinc/78/97/98/488789798.db2.gz BWTCZSXCVRRCMB-KRWDZBQOSA-N 0 3 362.474 0.196 20 70 FCIDHN CN1CCN(CCCCNC(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000160313213 488790380 /nfs/dbraw/zinc/79/03/80/488790380.db2.gz DPRNCOJKGGJIKZ-UHFFFAOYSA-N 0 3 374.533 0.936 20 70 FCIDHN CN1CCN([C@H](C(=O)NC[C@@H](O)CN2CCCCC2)c2ccccc2)CC1 ZINC000160488645 488791782 /nfs/dbraw/zinc/79/17/82/488791782.db2.gz OLOIWAJHAKDDIL-UXHICEINSA-N 0 3 374.529 0.938 20 70 FCIDHN CCN1CCN(Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)CC1 ZINC000160511036 488792229 /nfs/dbraw/zinc/79/22/29/488792229.db2.gz FVQHMBMKSHWOHC-UHFFFAOYSA-N 0 3 359.474 0.641 20 70 FCIDHN Cc1nc2ncnn2c(C)c1CCC(=O)NCC1CCN(CCO)CC1 ZINC000160678484 488793205 /nfs/dbraw/zinc/79/32/05/488793205.db2.gz FJBLJFLJDQUQJV-UHFFFAOYSA-N 0 3 360.462 0.494 20 70 FCIDHN Cc1cnccc1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000161248756 488795830 /nfs/dbraw/zinc/79/58/30/488795830.db2.gz CEFVGDMBCDMURY-UHFFFAOYSA-N 0 3 363.506 0.622 20 70 FCIDHN Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)c1 ZINC000161364194 488796224 /nfs/dbraw/zinc/79/62/24/488796224.db2.gz VJNSMDOYBUYHMD-ROUUACIJSA-N 0 3 374.485 0.656 20 70 FCIDHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160565146 208830148 /nfs/dbraw/zinc/83/01/48/208830148.db2.gz JXPTYJAWZHIKOI-QZTJIDSGSA-N 0 3 372.473 0.728 20 70 FCIDHN NC(=O)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)nn1-c1ccccc1 ZINC000160230685 229196908 /nfs/dbraw/zinc/19/69/08/229196908.db2.gz RWDIUIYZQMKGDK-OAHLLOKOSA-N 0 3 371.441 0.548 20 70 FCIDHN CC(C)N(CCN(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000159532275 488785541 /nfs/dbraw/zinc/78/55/41/488785541.db2.gz JKVYBPUSQJJHKK-UHFFFAOYSA-N 0 3 360.524 0.925 20 70 FCIDHN CN(C)CCn1nnnc1S[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159577250 488786277 /nfs/dbraw/zinc/78/62/77/488786277.db2.gz RXAGGBHNSBOBBM-VIFPVBQESA-N 0 3 352.386 0.880 20 70 FCIDHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000159927583 488788260 /nfs/dbraw/zinc/78/82/60/488788260.db2.gz FFHGRXHWNGSLAC-HOCLYGCPSA-N 0 3 351.447 0.997 20 70 FCIDHN CCn1c2ccccc2n(CC(=O)NCC2CCN(CCO)CC2)c1=O ZINC000160548920 488792179 /nfs/dbraw/zinc/79/21/79/488792179.db2.gz KSMOQIAIFVATCY-UHFFFAOYSA-N 0 3 360.458 0.643 20 70 FCIDHN COCCC1(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000161063769 488794727 /nfs/dbraw/zinc/79/47/27/488794727.db2.gz JDVKHNFFIYJXOK-HNNXBMFYSA-N 0 3 352.479 0.751 20 70 FCIDHN CCN1CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000159694940 547348325 /nfs/dbraw/zinc/34/83/25/547348325.db2.gz SEQUOBYQFIFWNB-UHFFFAOYSA-N 0 3 350.467 0.508 20 70 FCIDHN O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160645439 229196624 /nfs/dbraw/zinc/19/66/24/229196624.db2.gz WPOSVIVFMWGQOM-MRXNPFEDSA-N 0 3 366.437 0.588 20 70 FCIDHN C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)CN1CCN(C)CC1 ZINC000159431982 488785178 /nfs/dbraw/zinc/78/51/78/488785178.db2.gz WBZPMZJNGBUILB-HZPDHXFCSA-N 0 3 364.494 0.925 20 70 FCIDHN CN1CCN([C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)c2ccccc2)CC1 ZINC000160488741 488791561 /nfs/dbraw/zinc/79/15/61/488791561.db2.gz OLOIWAJHAKDDIL-WOJBJXKFSA-N 0 3 374.529 0.938 20 70 FCIDHN O=C(NCC1CCN(CCO)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160641583 488792865 /nfs/dbraw/zinc/79/28/65/488792865.db2.gz FDWMLKPXQMNZPV-LJQANCHMSA-N 0 3 361.486 0.708 20 70 FCIDHN CCCc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n2ncnc2n1 ZINC000160798107 488793514 /nfs/dbraw/zinc/79/35/14/488793514.db2.gz QLARDCRKORHTEH-OAHLLOKOSA-N 0 3 357.462 0.995 20 70 FCIDHN CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@@H]([NH2+]C)C3)cc(C(C)C)nc21 ZINC000160751130 488793601 /nfs/dbraw/zinc/79/36/01/488793601.db2.gz HRNLVUSEIHLTRC-LLVKDONJSA-N 0 3 359.430 0.662 20 70 FCIDHN CC(C)CCn1ccc(NC(=O)C(=O)NCC2CCN(CCO)CC2)n1 ZINC000160982192 488794476 /nfs/dbraw/zinc/79/44/76/488794476.db2.gz UJIIRIRNWGYNCN-UHFFFAOYSA-N 0 3 365.478 0.688 20 70 FCIDHN Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)c1 ZINC000161364347 488796446 /nfs/dbraw/zinc/79/64/46/488796446.db2.gz VJNSMDOYBUYHMD-MSOLQXFVSA-N 0 3 374.485 0.656 20 70 FCIDHN CCN1CCCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000159734912 529027006 /nfs/dbraw/zinc/02/70/06/529027006.db2.gz HBVXRGOVXIEDJI-KRWDZBQOSA-N 0 3 356.536 0.932 20 70 FCIDHN NC(=O)NC1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000160110476 488789261 /nfs/dbraw/zinc/78/92/61/488789261.db2.gz DEUUSKGVPHVLNV-UHFFFAOYSA-N 0 3 359.474 0.511 20 70 FCIDHN C[C@H](CO)NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000160134769 488789345 /nfs/dbraw/zinc/78/93/45/488789345.db2.gz ISBIVGZUEVILIC-ZBFHGGJFSA-N 0 3 371.441 0.766 20 70 FCIDHN CC(C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1)S(C)(=O)=O ZINC000160083549 488789608 /nfs/dbraw/zinc/78/96/08/488789608.db2.gz PDWYAIVFQVYQPP-LBPRGKRZSA-N 0 3 350.444 0.640 20 70 FCIDHN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H](O)CN1CCCCC1 ZINC000160244488 488790060 /nfs/dbraw/zinc/79/00/60/488790060.db2.gz VXIIIIUYLOMBTH-MRXNPFEDSA-N 0 3 351.422 0.447 20 70 FCIDHN C[C@H](CNC(=O)NCCCCN1CCN(C)CC1)CN1CCOCC1 ZINC000160433715 488791792 /nfs/dbraw/zinc/79/17/92/488791792.db2.gz RYDHYTOHUKSMAV-QGZVFWFLSA-N 0 3 355.527 0.282 20 70 FCIDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000160518073 488792031 /nfs/dbraw/zinc/79/20/31/488792031.db2.gz RXYXFBQQWKWSPR-MRXNPFEDSA-N 0 3 368.441 0.646 20 70 FCIDHN CC1CCN(C[C@@H](O)CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000160776391 488793709 /nfs/dbraw/zinc/79/37/09/488793709.db2.gz BAFPUEUXDUTUKL-AWEZNQCLSA-N 0 3 365.478 0.716 20 70 FCIDHN CC(C)N1C[C@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H](C)C1 ZINC000161378016 488796264 /nfs/dbraw/zinc/79/62/64/488796264.db2.gz CDBWWYIEWATMTG-FZMZJTMJSA-N 0 3 359.430 0.091 20 70 FCIDHN Cc1c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cnn1-c1ccccc1F ZINC000160139182 229196761 /nfs/dbraw/zinc/19/67/61/229196761.db2.gz OGUQYIVYZQGLSY-GFCCVEGCSA-N 0 3 363.393 0.297 20 70 FCIDHN C[C@H]1Cc2cc(S(=O)(=O)NCC3CCN(CCO)CC3)ccc2O1 ZINC000161396633 229198042 /nfs/dbraw/zinc/19/80/42/229198042.db2.gz KHJYOJOINKIHTL-ZDUSSCGKSA-N 0 3 354.472 0.993 20 70 FCIDHN O=C(CN1CCCC1)N1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159550114 488785553 /nfs/dbraw/zinc/78/55/53/488785553.db2.gz UFLVDTXIKOVLHO-UHFFFAOYSA-N 0 3 351.476 0.635 20 70 FCIDHN CCN(C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000159530881 488785785 /nfs/dbraw/zinc/78/57/85/488785785.db2.gz SPMOXWZCBDEWFQ-INIZCTEOSA-N 0 3 353.488 0.829 20 70 FCIDHN O=C(NCC1CCN(CCO)CC1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159646850 488786465 /nfs/dbraw/zinc/78/64/65/488786465.db2.gz BQEHTPPETXVEQC-HNNXBMFYSA-N 0 3 351.451 0.745 20 70 FCIDHN CCN1CCC[C@@H]1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000159906131 488787914 /nfs/dbraw/zinc/78/79/14/488787914.db2.gz BYPUCGWTUYMAPR-GFCCVEGCSA-N 0 3 359.430 0.155 20 70 FCIDHN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000159988695 488788335 /nfs/dbraw/zinc/78/83/35/488788335.db2.gz XZONYZODCCXHAW-SFHVURJKSA-N 0 3 369.554 0.358 20 70 FCIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000160012915 488789108 /nfs/dbraw/zinc/78/91/08/488789108.db2.gz PIJQUOVCVIBKNG-OIISXLGYSA-N 0 3 357.458 0.926 20 70 FCIDHN Cc1c(C(=O)NC2CCN(C3CC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000160241887 488789968 /nfs/dbraw/zinc/78/99/68/488789968.db2.gz PPEBATCURKHWAW-UHFFFAOYSA-N 0 3 371.441 0.297 20 70 FCIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000160542435 488791980 /nfs/dbraw/zinc/79/19/80/488791980.db2.gz FXMXEJWMEFEVKL-UHFFFAOYSA-N 0 3 374.416 0.806 20 70 FCIDHN O=C(CCn1nnc2ccccc2c1=O)NCC1CCN(CCO)CC1 ZINC000160715487 488793155 /nfs/dbraw/zinc/79/31/55/488793155.db2.gz CKHDXKFVRWBOBF-UHFFFAOYSA-N 0 3 359.430 0.002 20 70 FCIDHN NC(=O)[C@H]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)O1 ZINC000161116585 488795115 /nfs/dbraw/zinc/79/51/15/488795115.db2.gz SWKWRHFGDQOXHG-QZTJIDSGSA-N 0 3 374.485 0.738 20 70 FCIDHN Cc1ccc(S(=O)(=O)N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000161288685 488795704 /nfs/dbraw/zinc/79/57/04/488795704.db2.gz CRIGQYRVZNJVBB-OAHLLOKOSA-N 0 3 372.512 0.925 20 70 FCIDHN Cc1c(C(=O)N[C@H](C)CN2CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000161430680 488796815 /nfs/dbraw/zinc/79/68/15/488796815.db2.gz LSYLADAGJSYQFU-GFCCVEGCSA-N 0 3 373.457 0.545 20 70 FCIDHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000160139318 229196943 /nfs/dbraw/zinc/19/69/43/229196943.db2.gz YFFLMYGEPNAHQT-AWEZNQCLSA-N 0 3 359.430 0.466 20 70 FCIDHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000160139447 229197464 /nfs/dbraw/zinc/19/74/64/229197464.db2.gz YFFLMYGEPNAHQT-CQSZACIVSA-N 0 3 359.430 0.466 20 70 FCIDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ncccc1F ZINC000159841023 488787890 /nfs/dbraw/zinc/78/78/90/488787890.db2.gz QVCSFNFIWFMZFZ-HNNXBMFYSA-N 0 3 351.426 0.963 20 70 FCIDHN Cc1conc1NC(=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000160172395 488789701 /nfs/dbraw/zinc/78/97/01/488789701.db2.gz QMPLXYKBLBLTBE-OAHLLOKOSA-N 0 3 358.398 0.457 20 70 FCIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160639921 488792505 /nfs/dbraw/zinc/79/25/05/488792505.db2.gz XYKIVANFJLUQLO-JKSUJKDBSA-N 0 3 350.463 0.504 20 70 FCIDHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160668911 488793137 /nfs/dbraw/zinc/79/31/37/488793137.db2.gz ZPVCFJJMJIHWDQ-CQSZACIVSA-N 0 3 374.441 0.043 20 70 FCIDHN Cc1ccc(CCC(=O)NCC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160703006 488793178 /nfs/dbraw/zinc/79/31/78/488793178.db2.gz VDQNTRMSEAHMDC-UHFFFAOYSA-N 0 3 361.486 0.864 20 70 FCIDHN NC(=O)NC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000160996090 488794861 /nfs/dbraw/zinc/79/48/61/488794861.db2.gz HKGNGMVISLGSBQ-UHFFFAOYSA-N 0 3 359.474 0.906 20 70 FCIDHN