smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1C(=O)N=NC1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000010438599 1079453225 /nfs/dbraw/zinc/45/32/25/1079453225.db2.gz CJUWVFWRODNCSR-OLZOCXBDSA-N 0 1 418.541 0.681 20 0 HCADMN CCCN1C(=O)N=NC1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000010438602 1079453027 /nfs/dbraw/zinc/45/30/27/1079453027.db2.gz CJUWVFWRODNCSR-CHWSQXEVSA-N 0 1 418.541 0.681 20 0 HCADMN CCCN1C(=O)N=NC1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000010438604 1079453318 /nfs/dbraw/zinc/45/33/18/1079453318.db2.gz CJUWVFWRODNCSR-STQMWFEESA-N 0 1 418.541 0.681 20 0 HCADMN CCCN1C(=O)N=NC1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000010438608 1079453058 /nfs/dbraw/zinc/45/30/58/1079453058.db2.gz CJUWVFWRODNCSR-QWHCGFSZSA-N 0 1 418.541 0.681 20 0 HCADMN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCN(c3nccs3)CC2)cc1 ZINC000011505944 1079459212 /nfs/dbraw/zinc/45/92/12/1079459212.db2.gz MEWQGPRDZBDGAG-UHFFFAOYSA-N 0 1 423.564 0.662 20 0 HCADMN CN1CCN(c2ccc(CNC(=O)Cc3nn(C)c(=O)c4ccccc34)cn2)CC1 ZINC000011533525 1079460894 /nfs/dbraw/zinc/46/08/94/1079460894.db2.gz WGFJEIAXJFCOKF-UHFFFAOYSA-N 0 1 406.490 0.939 20 0 HCADMN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000011533621 1079460863 /nfs/dbraw/zinc/46/08/63/1079460863.db2.gz UQIHNTKBDHTHCZ-UHFFFAOYSA-N 0 1 423.525 0.719 20 0 HCADMN CN1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc4c(c3)OCO4)cn2)CC1 ZINC000011533664 1079460879 /nfs/dbraw/zinc/46/08/79/1079460879.db2.gz POPNNWSKPOYHOC-UHFFFAOYSA-N 0 1 411.462 0.608 20 0 HCADMN COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000011556880 1079461600 /nfs/dbraw/zinc/46/16/00/1079461600.db2.gz ZIKXLOQZHPAZIV-UHFFFAOYSA-N 0 1 419.507 0.419 20 0 HCADMN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000011651235 1079122492 /nfs/dbraw/zinc/12/24/92/1079122492.db2.gz YAOCFSVALBECCL-LLVKDONJSA-N 0 1 414.513 0.989 20 0 HCADMN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011651244 1079122384 /nfs/dbraw/zinc/12/23/84/1079122384.db2.gz YAOCFSVALBECCL-NSHDSACASA-N 0 1 414.513 0.989 20 0 HCADMN COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(C)n[nH]3)CC2)cc1 ZINC000011706829 1079462641 /nfs/dbraw/zinc/46/26/41/1079462641.db2.gz CPGZXKAMHNHKSU-UHFFFAOYSA-N 0 1 411.509 0.747 20 0 HCADMN COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)[nH]3)CC2)cc1 ZINC000011706829 1079462635 /nfs/dbraw/zinc/46/26/35/1079462635.db2.gz CPGZXKAMHNHKSU-UHFFFAOYSA-N 0 1 411.509 0.747 20 0 HCADMN CCc1n[nH]c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n1 ZINC000011712578 1079178993 /nfs/dbraw/zinc/17/89/93/1079178993.db2.gz KWFLREBZAQAAMR-UHFFFAOYSA-N 0 1 400.464 0.833 20 0 HCADMN CCc1nc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n[nH]1 ZINC000011712578 1079178989 /nfs/dbraw/zinc/17/89/89/1079178989.db2.gz KWFLREBZAQAAMR-UHFFFAOYSA-N 0 1 400.464 0.833 20 0 HCADMN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012332786 1079463364 /nfs/dbraw/zinc/46/33/64/1079463364.db2.gz QBWXKLRMKRIWFK-UHFFFAOYSA-N 0 1 421.586 0.380 20 0 HCADMN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012614116 1080313699 /nfs/dbraw/zinc/31/36/99/1080313699.db2.gz UJVWSNJIPSLDKZ-UHFFFAOYSA-N 0 1 405.480 0.742 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1 ZINC000012651231 1080347962 /nfs/dbraw/zinc/34/79/62/1080347962.db2.gz HDKZFUFOSCDHGW-UHFFFAOYSA-N 0 1 422.492 0.928 20 0 HCADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000013593345 1079466393 /nfs/dbraw/zinc/46/63/93/1079466393.db2.gz YFVYHVGQBLRWNG-GFCCVEGCSA-N 0 1 415.475 0.688 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000013593347 1079466095 /nfs/dbraw/zinc/46/60/95/1079466095.db2.gz YFVYHVGQBLRWNG-LBPRGKRZSA-N 0 1 415.475 0.688 20 0 HCADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000013593385 1079465952 /nfs/dbraw/zinc/46/59/52/1079465952.db2.gz KDOHXABDNWYXGC-LLVKDONJSA-N 0 1 401.448 0.645 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000013593388 1079465982 /nfs/dbraw/zinc/46/59/82/1079465982.db2.gz KDOHXABDNWYXGC-NSHDSACASA-N 0 1 401.448 0.645 20 0 HCADMN NC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000014097016 1081050554 /nfs/dbraw/zinc/05/05/54/1081050554.db2.gz OXBFSGVPNSDJAG-UHFFFAOYSA-N 0 1 424.504 0.834 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C1 ZINC000014153080 1079465108 /nfs/dbraw/zinc/46/51/08/1079465108.db2.gz QEGPUEYOKQMLOU-LBPRGKRZSA-N 0 1 418.416 0.439 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C1 ZINC000014153082 1079465040 /nfs/dbraw/zinc/46/50/40/1079465040.db2.gz QEGPUEYOKQMLOU-GFCCVEGCSA-N 0 1 418.416 0.439 20 0 HCADMN CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000014915478 1079466796 /nfs/dbraw/zinc/46/67/96/1079466796.db2.gz SJQJKECQYPQNDE-GOEBONIOSA-N 0 1 411.524 0.656 20 0 HCADMN CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000014915479 1079466683 /nfs/dbraw/zinc/46/66/83/1079466683.db2.gz SJQJKECQYPQNDE-HOCLYGCPSA-N 0 1 411.524 0.656 20 0 HCADMN Cn1cc(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000015357240 1079470190 /nfs/dbraw/zinc/47/01/90/1079470190.db2.gz CFXIBBXOYZAHRK-UHFFFAOYSA-N 0 1 406.508 0.548 20 0 HCADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015365704 1079470722 /nfs/dbraw/zinc/47/07/22/1079470722.db2.gz LBNBGEYHQYATTK-GOEBONIOSA-N 0 1 404.492 0.389 20 0 HCADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015365705 1079470756 /nfs/dbraw/zinc/47/07/56/1079470756.db2.gz LBNBGEYHQYATTK-HOCLYGCPSA-N 0 1 404.492 0.389 20 0 HCADMN CCCN1C(=O)N=NC1S[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000016787827 1079482108 /nfs/dbraw/zinc/48/21/08/1079482108.db2.gz SSFDCNSVLYEEEX-NSHDSACASA-N 0 1 413.525 0.881 20 0 HCADMN CCN(CC)CC(=O)N(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000017283511 1079484359 /nfs/dbraw/zinc/48/43/59/1079484359.db2.gz LKSNSXCDTGIBOO-UHFFFAOYSA-N 0 1 403.483 0.488 20 0 HCADMN COCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000017814901 1079486123 /nfs/dbraw/zinc/48/61/23/1079486123.db2.gz JWUINIRJDNEGID-UHFFFAOYSA-N 0 1 421.475 0.988 20 0 HCADMN Cn1c2ncn(CCC(=O)NC[C@H](c3ccco3)N3CCCC3)c2c(=O)n(C)c1=O ZINC000017907564 1079486553 /nfs/dbraw/zinc/48/65/53/1079486553.db2.gz OSSLACSUPFXOFX-CQSZACIVSA-N 0 1 414.466 0.370 20 0 HCADMN Cn1c2ncn(CCC(=O)NC[C@@H](c3ccco3)N3CCCC3)c2c(=O)n(C)c1=O ZINC000017907566 1079486703 /nfs/dbraw/zinc/48/67/03/1079486703.db2.gz OSSLACSUPFXOFX-AWEZNQCLSA-N 0 1 414.466 0.370 20 0 HCADMN CN(C)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(F)c1 ZINC000018016912 1079487188 /nfs/dbraw/zinc/48/71/88/1079487188.db2.gz JHLMRJRZTYOYSF-HNNXBMFYSA-N 0 1 416.457 0.382 20 0 HCADMN CN(C)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(F)c1 ZINC000018016913 1079487360 /nfs/dbraw/zinc/48/73/60/1079487360.db2.gz JHLMRJRZTYOYSF-OAHLLOKOSA-N 0 1 416.457 0.382 20 0 HCADMN CN(C)[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000018047584 1079487490 /nfs/dbraw/zinc/48/74/90/1079487490.db2.gz VXWCVCXBVASKIM-LBPRGKRZSA-N 0 1 404.496 0.304 20 0 HCADMN CN(C)[C@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000018047585 1079487263 /nfs/dbraw/zinc/48/72/63/1079487263.db2.gz VXWCVCXBVASKIM-GFCCVEGCSA-N 0 1 404.496 0.304 20 0 HCADMN Nc1cc(N)nc(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000018541192 1079490578 /nfs/dbraw/zinc/49/05/78/1079490578.db2.gz SFIJSCUGZBHDFZ-UHFFFAOYSA-N 0 1 422.536 0.407 20 0 HCADMN COc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1S(=O)(=O)N(C)C ZINC000018541292 1079490709 /nfs/dbraw/zinc/49/07/09/1079490709.db2.gz AABMTCPVYBFNIF-UHFFFAOYSA-N 0 1 412.497 0.631 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000018970241 1079491173 /nfs/dbraw/zinc/49/11/73/1079491173.db2.gz DMANAUJFUQEWDE-INIZCTEOSA-N 0 1 406.512 0.933 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000018970242 1079491259 /nfs/dbraw/zinc/49/12/59/1079491259.db2.gz DMANAUJFUQEWDE-MRXNPFEDSA-N 0 1 406.512 0.933 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000018995256 1081288936 /nfs/dbraw/zinc/28/89/36/1081288936.db2.gz DYGHSYLLBRXAPZ-UHFFFAOYSA-N 0 1 419.506 0.385 20 0 HCADMN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000018996175 1080077009 /nfs/dbraw/zinc/07/70/09/1080077009.db2.gz ZSSQQXHAYIRDGS-UHFFFAOYSA-N 0 1 405.479 0.043 20 0 HCADMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCCCC1 ZINC000020062439 1079493101 /nfs/dbraw/zinc/49/31/01/1079493101.db2.gz ATIZVXWYSJPVEU-UHFFFAOYSA-N 0 1 411.524 0.932 20 0 HCADMN CCN(CC)[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccco1 ZINC000021240893 1079495456 /nfs/dbraw/zinc/49/54/56/1079495456.db2.gz MSETXDADTNTCHQ-ZDUSSCGKSA-N 0 1 402.455 0.226 20 0 HCADMN CCN(CC)[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccco1 ZINC000021240899 1079495462 /nfs/dbraw/zinc/49/54/62/1079495462.db2.gz MSETXDADTNTCHQ-CYBMUJFWSA-N 0 1 402.455 0.226 20 0 HCADMN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1 ZINC000021578824 1079497995 /nfs/dbraw/zinc/49/79/95/1079497995.db2.gz FQTWNTFVQHCRGE-UHFFFAOYSA-N 0 1 415.538 0.583 20 0 HCADMN COCCn1c(N)c(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)c(=O)[nH]c1=O ZINC000021823863 1079498689 /nfs/dbraw/zinc/49/86/89/1079498689.db2.gz GSBFGZCNWBXKJO-UHFFFAOYSA-N 0 1 422.511 0.981 20 0 HCADMN COCCn1c(N)c(C(=O)CSc2n[nH]c(CCC3CCCC3)n2)c(=O)[nH]c1=O ZINC000021823863 1079498681 /nfs/dbraw/zinc/49/86/81/1079498681.db2.gz GSBFGZCNWBXKJO-UHFFFAOYSA-N 0 1 422.511 0.981 20 0 HCADMN CN1CCN(c2ccc(NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)cn2)CC1 ZINC000022237950 1079500264 /nfs/dbraw/zinc/50/02/64/1079500264.db2.gz ARJHSBUQIAIACD-UHFFFAOYSA-N 0 1 423.271 0.085 20 0 HCADMN O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)Cc1ccccc1 ZINC000022408378 1079803823 /nfs/dbraw/zinc/80/38/23/1079803823.db2.gz UCVVTIWNGIUANC-UHFFFAOYSA-N 0 1 423.517 0.705 20 0 HCADMN CCc1n[nH]c(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 ZINC000022543261 1079501321 /nfs/dbraw/zinc/50/13/21/1079501321.db2.gz WOICQHNUWDFTHP-HNNXBMFYSA-N 0 1 417.491 0.970 20 0 HCADMN CCc1nc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n[nH]1 ZINC000022543261 1079501315 /nfs/dbraw/zinc/50/13/15/1079501315.db2.gz WOICQHNUWDFTHP-HNNXBMFYSA-N 0 1 417.491 0.970 20 0 HCADMN CCc1n[nH]c(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 ZINC000022543264 1079501340 /nfs/dbraw/zinc/50/13/40/1079501340.db2.gz WOICQHNUWDFTHP-OAHLLOKOSA-N 0 1 417.491 0.970 20 0 HCADMN CCc1nc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n[nH]1 ZINC000022543264 1079501335 /nfs/dbraw/zinc/50/13/35/1079501335.db2.gz WOICQHNUWDFTHP-OAHLLOKOSA-N 0 1 417.491 0.970 20 0 HCADMN COC(=O)c1sc(NC(=O)CCN2CCN(CCO)CC2)c(C(=O)OC)c1C ZINC000022816291 1079503765 /nfs/dbraw/zinc/50/37/65/1079503765.db2.gz QLBKCEJKFCNXFQ-UHFFFAOYSA-N 0 1 413.496 0.568 20 0 HCADMN CCC(CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O)N1CCOCC1 ZINC000022899284 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CC[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O ZINC000428785912 1075326269 /nfs/dbraw/zinc/32/62/69/1075326269.db2.gz NDVFPEDBSKUOSN-KRWDZBQOSA-N 0 1 416.931 0.417 20 0 HCADMN CC[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O ZINC000428785915 1075326217 /nfs/dbraw/zinc/32/62/17/1075326217.db2.gz NDVFPEDBSKUOSN-QGZVFWFLSA-N 0 1 416.931 0.417 20 0 HCADMN CC[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(N)=O ZINC000428787200 1075341099 /nfs/dbraw/zinc/34/10/99/1075341099.db2.gz OKGUJYLHDXPLBP-FQEVSTJZSA-N 0 1 422.551 0.252 20 0 HCADMN CC[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(N)=O ZINC000428787201 1075341218 /nfs/dbraw/zinc/34/12/18/1075341218.db2.gz OKGUJYLHDXPLBP-HXUWFJFHSA-N 0 1 422.551 0.252 20 0 HCADMN NC(=O)C1(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 ZINC000428790853 1075396641 /nfs/dbraw/zinc/39/66/41/1075396641.db2.gz CETMFBIKBIQXTI-UHFFFAOYSA-N 0 1 424.523 0.424 20 0 HCADMN CCCNC(=O)C1(NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCCC1 ZINC000428790963 1075395819 /nfs/dbraw/zinc/39/58/19/1075395819.db2.gz CPFAJINPIVJRMJ-UHFFFAOYSA-N 0 1 424.567 0.811 20 0 HCADMN CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428794834 1075425925 /nfs/dbraw/zinc/42/59/25/1075425925.db2.gz UIYHTKWRJGBQGH-KRWDZBQOSA-N 0 1 416.588 0.103 20 0 HCADMN CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428794835 1075426019 /nfs/dbraw/zinc/42/60/19/1075426019.db2.gz UIYHTKWRJGBQGH-QGZVFWFLSA-N 0 1 416.588 0.103 20 0 HCADMN CC[C@](C)(NCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C(N)=O ZINC000428796236 1075438925 /nfs/dbraw/zinc/43/89/25/1075438925.db2.gz VULUGLHFCOOGSQ-NRFANRHFSA-N 0 1 403.527 0.630 20 0 HCADMN CC[C@@](C)(NCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C(N)=O ZINC000428796237 1075438972 /nfs/dbraw/zinc/43/89/72/1075438972.db2.gz VULUGLHFCOOGSQ-OAQYLSRUSA-N 0 1 403.527 0.630 20 0 HCADMN CCN(C(=O)CN[C@@](C)(CC)C(N)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000428796609 1075486598 /nfs/dbraw/zinc/48/65/98/1075486598.db2.gz ZLGQBZUUPGXBRX-FQEVSTJZSA-N 0 1 416.482 0.176 20 0 HCADMN CCN(C(=O)CN[C@](C)(CC)C(N)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000428796610 1075486586 /nfs/dbraw/zinc/48/65/86/1075486586.db2.gz ZLGQBZUUPGXBRX-HXUWFJFHSA-N 0 1 416.482 0.176 20 0 HCADMN CCCCn1c(N)c(N(CC)C(=O)CNC2(C(N)=O)CCCCC2)c(=O)[nH]c1=O ZINC000428797221 1075455095 /nfs/dbraw/zinc/45/50/95/1075455095.db2.gz PLIOCSNNCOWPJW-UHFFFAOYSA-N 0 1 408.503 0.462 20 0 HCADMN CCCCN(C(=O)CNC1(C(N)=O)CCCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000428798409 1075530400 /nfs/dbraw/zinc/53/04/00/1075530400.db2.gz SYDJFXGMQRTHRC-UHFFFAOYSA-N 0 1 422.530 0.852 20 0 HCADMN COC[C@@](C)(CC(=O)OC)NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000428798485 1075530103 /nfs/dbraw/zinc/53/01/03/1075530103.db2.gz UDPBLYVKMLWRJM-CRAIPNDOSA-N 0 1 404.529 0.503 20 0 HCADMN COC[C@@](C)(CC(=O)OC)NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000428798488 1075527041 /nfs/dbraw/zinc/52/70/41/1075527041.db2.gz UDPBLYVKMLWRJM-MAUKXSAKSA-N 0 1 404.529 0.503 20 0 HCADMN COC[C@](C)(CC(=O)OC)NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000428798490 1075527480 /nfs/dbraw/zinc/52/74/80/1075527480.db2.gz UDPBLYVKMLWRJM-QAPCUYQASA-N 0 1 404.529 0.503 20 0 HCADMN COC[C@](C)(CC(=O)OC)NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000428798492 1075527538 /nfs/dbraw/zinc/52/75/38/1075527538.db2.gz UDPBLYVKMLWRJM-YJBOKZPZSA-N 0 1 404.529 0.503 20 0 HCADMN CS(=O)(=O)c1ccc(CNC(=O)NCCCN2CCC[C@H]2C(N)=O)cc1Cl ZINC000428803476 1075596539 /nfs/dbraw/zinc/59/65/39/1075596539.db2.gz JEQKHYZYWFRQJZ-AWEZNQCLSA-N 0 1 416.931 0.883 20 0 HCADMN CS(=O)(=O)c1ccc(CNC(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1Cl ZINC000428803477 1075596927 /nfs/dbraw/zinc/59/69/27/1075596927.db2.gz JEQKHYZYWFRQJZ-CQSZACIVSA-N 0 1 416.931 0.883 20 0 HCADMN COC(=O)[C@]1(c2ccccc2)CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000428811244 1075709756 /nfs/dbraw/zinc/70/97/56/1075709756.db2.gz JBUDLOWKNBZGHR-JOCHJYFZSA-N 0 1 416.522 0.036 20 0 HCADMN COC(=O)[C@@]1(c2ccccc2)CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000428811246 1075709776 /nfs/dbraw/zinc/70/97/76/1075709776.db2.gz JBUDLOWKNBZGHR-QFIPXVFZSA-N 0 1 416.522 0.036 20 0 HCADMN C[C@H]1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CCS1(=O)=O ZINC000428819562 1077847688 /nfs/dbraw/zinc/84/76/88/1077847688.db2.gz QEURTYVUHDAWHK-HNNXBMFYSA-N 0 1 416.588 0.832 20 0 HCADMN C[C@@H]1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CCS1(=O)=O ZINC000428819563 1077847648 /nfs/dbraw/zinc/84/76/48/1077847648.db2.gz QEURTYVUHDAWHK-OAHLLOKOSA-N 0 1 416.588 0.832 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(C)Cc2ncnn2CC(F)F)c1 ZINC000428834511 1080282640 /nfs/dbraw/zinc/28/26/40/1080282640.db2.gz VCSROTAYDZAKGQ-UHFFFAOYSA-N 0 1 403.411 0.771 20 0 HCADMN CC(C)NS(=O)(=O)NCCNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000428836713 1080343244 /nfs/dbraw/zinc/34/32/44/1080343244.db2.gz VHAULBLROVOERO-UHFFFAOYSA-N 0 1 419.592 0.401 20 0 HCADMN CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H](C)CO ZINC000428838018 1080347995 /nfs/dbraw/zinc/34/79/95/1080347995.db2.gz GITIALHLRROPIV-OAHLLOKOSA-N 0 1 411.524 0.425 20 0 HCADMN CN(Cc1ncnn1CC(F)F)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000428838100 1080346610 /nfs/dbraw/zinc/34/66/10/1080346610.db2.gz IUUZWCZKFUKTMN-UHFFFAOYSA-N 0 1 404.377 0.773 20 0 HCADMN CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H](C)CO ZINC000428839550 1080366749 /nfs/dbraw/zinc/36/67/49/1080366749.db2.gz KINIXQKVOBQGHP-GFCCVEGCSA-N 0 1 409.961 0.937 20 0 HCADMN CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H](C)CO ZINC000428843497 1080433927 /nfs/dbraw/zinc/43/39/27/1080433927.db2.gz WCJHZJSJNQNJMH-OAHLLOKOSA-N 0 1 411.524 0.425 20 0 HCADMN C[C@@H](c1ccccc1)[C@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(N)=O ZINC000428848781 1081264403 /nfs/dbraw/zinc/26/44/03/1081264403.db2.gz ZMKVQDVNFOMPLZ-JXFKEZNVSA-N 0 1 417.554 0.293 20 0 HCADMN C[C@@H](c1ccccc1)[C@@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(N)=O ZINC000428848787 1081264682 /nfs/dbraw/zinc/26/46/82/1081264682.db2.gz ZMKVQDVNFOMPLZ-OXJNMPFZSA-N 0 1 417.554 0.293 20 0 HCADMN C[C@H](c1ccccc1)[C@@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(N)=O ZINC000428848789 1081264541 /nfs/dbraw/zinc/26/45/41/1081264541.db2.gz ZMKVQDVNFOMPLZ-OXQOHEQNSA-N 0 1 417.554 0.293 20 0 HCADMN C[C@H](c1ccccc1)[C@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(N)=O ZINC000428848790 1081264507 /nfs/dbraw/zinc/26/45/07/1081264507.db2.gz ZMKVQDVNFOMPLZ-UZLBHIALSA-N 0 1 417.554 0.293 20 0 HCADMN CCN(CC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)[C@H](C)CO ZINC000428849366 1081266511 /nfs/dbraw/zinc/26/65/11/1081266511.db2.gz KLHJULSBFACXBZ-CQSZACIVSA-N 0 1 403.483 0.635 20 0 HCADMN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC)[C@H](C)CO)CC2)cc1 ZINC000428852892 1081272330 /nfs/dbraw/zinc/27/23/30/1081272330.db2.gz VOTFEXDIGPDSGN-MRXNPFEDSA-N 0 1 413.540 0.621 20 0 HCADMN CS(=O)(=O)CC[C@@H]1CCCCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000428856003 1081278203 /nfs/dbraw/zinc/27/82/03/1081278203.db2.gz KZOCCVOMSKTJQX-KRWDZBQOSA-N 0 1 409.556 0.805 20 0 HCADMN CS(=O)(=O)CC[C@H]1CCCCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000428856004 1081278228 /nfs/dbraw/zinc/27/82/28/1081278228.db2.gz KZOCCVOMSKTJQX-QGZVFWFLSA-N 0 1 409.556 0.805 20 0 HCADMN CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)CO ZINC000428862579 1081283786 /nfs/dbraw/zinc/28/37/86/1081283786.db2.gz NZCYHYMYNIPFOD-MRXNPFEDSA-N 0 1 409.552 0.711 20 0 HCADMN CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H](C)CO ZINC000428862800 1081283710 /nfs/dbraw/zinc/28/37/10/1081283710.db2.gz VQCPVBLUMZIWSL-CQSZACIVSA-N 0 1 403.932 0.876 20 0 HCADMN CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)CO ZINC000428863244 1081285738 /nfs/dbraw/zinc/28/57/38/1081285738.db2.gz XGQGXZFYWMEJRR-CQSZACIVSA-N 0 1 415.512 0.357 20 0 HCADMN CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H](C)CO ZINC000428864381 1081287125 /nfs/dbraw/zinc/28/71/25/1081287125.db2.gz UCNALGCWWNOFCZ-CYBMUJFWSA-N 0 1 405.467 0.500 20 0 HCADMN CS(=O)(=O)CC[C@@H]1CCCCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000428872116 1081294537 /nfs/dbraw/zinc/29/45/37/1081294537.db2.gz LSJNWXBMLMXKKH-HNNXBMFYSA-N 0 1 417.553 0.952 20 0 HCADMN CS(=O)(=O)CC[C@H]1CCCCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000428872117 1081294697 /nfs/dbraw/zinc/29/46/97/1081294697.db2.gz LSJNWXBMLMXKKH-OAHLLOKOSA-N 0 1 417.553 0.952 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2CCS(C)(=O)=O)C1 ZINC000428873936 1081296242 /nfs/dbraw/zinc/29/62/42/1081296242.db2.gz ZIHBPXSFOVSNGL-MSOLQXFVSA-N 0 1 403.589 0.749 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2CCS(C)(=O)=O)C1 ZINC000428873942 1081296391 /nfs/dbraw/zinc/29/63/91/1081296391.db2.gz ZIHBPXSFOVSNGL-QZTJIDSGSA-N 0 1 403.589 0.749 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2CCS(C)(=O)=O)C1 ZINC000428873943 1081295944 /nfs/dbraw/zinc/29/59/44/1081295944.db2.gz ZIHBPXSFOVSNGL-ROUUACIJSA-N 0 1 403.589 0.749 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCCC[C@H]2CCS(C)(=O)=O)C1 ZINC000428873946 1081296165 /nfs/dbraw/zinc/29/61/65/1081296165.db2.gz ZIHBPXSFOVSNGL-ZWKOTPCHSA-N 0 1 403.589 0.749 20 0 HCADMN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1nc[nH]n1 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COc1cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cc([N-]S(C)(=O)=O)c1OC ZINC000463805412 1075814652 /nfs/dbraw/zinc/81/46/52/1075814652.db2.gz MSYYCMUARLBBKF-CYBMUJFWSA-N 0 1 415.512 0.916 20 0 HCADMN COc1cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc([N-]S(C)(=O)=O)c1OC ZINC000463805413 1075814708 /nfs/dbraw/zinc/81/47/08/1075814708.db2.gz MSYYCMUARLBBKF-ZDUSSCGKSA-N 0 1 415.512 0.916 20 0 HCADMN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463809231 1075815337 /nfs/dbraw/zinc/81/53/37/1075815337.db2.gz LASLTNASJAXSRU-UHFFFAOYSA-N 0 1 417.447 0.241 20 0 HCADMN COCCN(CC(=O)N(C)C)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463810880 1075816239 /nfs/dbraw/zinc/81/62/39/1075816239.db2.gz LHKQNGNPKWGJCH-UHFFFAOYSA-N 0 1 417.484 0.252 20 0 HCADMN COc1cc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463811147 1075816190 /nfs/dbraw/zinc/81/61/90/1075816190.db2.gz MELXPJSWWOXBPW-UHFFFAOYSA-N 0 1 423.495 0.756 20 0 HCADMN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463811898 1075816470 /nfs/dbraw/zinc/81/64/70/1075816470.db2.gz TYZOODAKTLDMBQ-LLVKDONJSA-N 0 1 422.525 0.971 20 0 HCADMN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463811900 1075816435 /nfs/dbraw/zinc/81/64/35/1075816435.db2.gz TYZOODAKTLDMBQ-NSHDSACASA-N 0 1 422.525 0.971 20 0 HCADMN O=C(NCCN1C(=O)CNC1=O)c1n[nH]c2ccc(I)cc21 ZINC000463811904 1075816411 /nfs/dbraw/zinc/81/64/11/1075816411.db2.gz PDGPUBWKVZBQMB-UHFFFAOYSA-N 0 1 413.175 0.449 20 0 HCADMN COc1cc(C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc(NS(C)(=O)=O)c1OC ZINC000463815045 1075816661 /nfs/dbraw/zinc/81/66/61/1075816661.db2.gz PIBFBFZBZNDYHQ-GHMZBOCLSA-N 0 1 422.525 0.969 20 0 HCADMN COc1cc(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc(NS(C)(=O)=O)c1OC ZINC000463815046 1075816643 /nfs/dbraw/zinc/81/66/43/1075816643.db2.gz PIBFBFZBZNDYHQ-MNOVXSKESA-N 0 1 422.525 0.969 20 0 HCADMN COc1cc(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc(NS(C)(=O)=O)c1OC ZINC000463815047 1075816702 /nfs/dbraw/zinc/81/67/02/1075816702.db2.gz PIBFBFZBZNDYHQ-QWRGUYRKSA-N 0 1 422.525 0.969 20 0 HCADMN COc1cc(C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc(NS(C)(=O)=O)c1OC ZINC000463815048 1075816675 /nfs/dbraw/zinc/81/66/75/1075816675.db2.gz PIBFBFZBZNDYHQ-WDEREUQCSA-N 0 1 422.525 0.969 20 0 HCADMN COc1cc(C(=O)NCc2cnc(N(C)C)n2C)cc(NS(C)(=O)=O)c1OC ZINC000463817076 1075818525 /nfs/dbraw/zinc/81/85/25/1075818525.db2.gz FSKNEKOFQVEBKQ-UHFFFAOYSA-N 0 1 411.484 0.805 20 0 HCADMN COCCN1CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 ZINC000463821442 1075819301 /nfs/dbraw/zinc/81/93/01/1075819301.db2.gz HTQGAHHCIDDRMZ-UHFFFAOYSA-N 0 1 401.485 0.480 20 0 HCADMN COc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(NS(C)(=O)=O)c1OC ZINC000463824026 1075819536 /nfs/dbraw/zinc/81/95/36/1075819536.db2.gz JCZHQDSGVKXFTC-LLVKDONJSA-N 0 1 406.482 0.382 20 0 HCADMN COc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(NS(C)(=O)=O)c1OC ZINC000463824027 1075819570 /nfs/dbraw/zinc/81/95/70/1075819570.db2.gz JCZHQDSGVKXFTC-NSHDSACASA-N 0 1 406.482 0.382 20 0 HCADMN CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@H](C)CS(C)(=O)=O ZINC000463824535 1075819997 /nfs/dbraw/zinc/81/99/97/1075819997.db2.gz LDQKKARFKIVBDL-LLVKDONJSA-N 0 1 422.525 0.971 20 0 HCADMN CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@@H](C)CS(C)(=O)=O ZINC000463824536 1075820017 /nfs/dbraw/zinc/82/00/17/1075820017.db2.gz LDQKKARFKIVBDL-NSHDSACASA-N 0 1 422.525 0.971 20 0 HCADMN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463826064 1075820267 /nfs/dbraw/zinc/82/02/67/1075820267.db2.gz KBLVKVVKODIBJI-JTQLQIEISA-N 0 1 408.498 0.628 20 0 HCADMN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463826065 1075820332 /nfs/dbraw/zinc/82/03/32/1075820332.db2.gz KBLVKVVKODIBJI-SNVBAGLBSA-N 0 1 408.498 0.628 20 0 HCADMN COc1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc(NS(C)(=O)=O)c1OC ZINC000463829052 1075820972 /nfs/dbraw/zinc/82/09/72/1075820972.db2.gz TWYURMVMXKWHJI-JTQLQIEISA-N 0 1 408.498 0.580 20 0 HCADMN COc1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)cc(NS(C)(=O)=O)c1OC ZINC000463829053 1075821159 /nfs/dbraw/zinc/82/11/59/1075821159.db2.gz TWYURMVMXKWHJI-SNVBAGLBSA-N 0 1 408.498 0.580 20 0 HCADMN NC(=O)CS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)cc1 ZINC000463829702 1075821369 /nfs/dbraw/zinc/82/13/69/1075821369.db2.gz JIEDHDKDMBONIN-UHFFFAOYSA-N 0 1 423.535 0.711 20 0 HCADMN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463833350 1075822823 /nfs/dbraw/zinc/82/28/23/1075822823.db2.gz APVSSEWDMNGAII-AAEUAGOBSA-N 0 1 416.452 0.478 20 0 HCADMN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463833351 1075822768 /nfs/dbraw/zinc/82/27/68/1075822768.db2.gz APVSSEWDMNGAII-DGCLKSJQSA-N 0 1 416.452 0.478 20 0 HCADMN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463833352 1075822729 /nfs/dbraw/zinc/82/27/29/1075822729.db2.gz APVSSEWDMNGAII-WCQYABFASA-N 0 1 416.452 0.478 20 0 HCADMN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463833353 1075822805 /nfs/dbraw/zinc/82/28/05/1075822805.db2.gz APVSSEWDMNGAII-YPMHNXCESA-N 0 1 416.452 0.478 20 0 HCADMN CCOCCN1CCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 ZINC000463838339 1075823723 /nfs/dbraw/zinc/82/37/23/1075823723.db2.gz RMZIJVZVEQQENV-UHFFFAOYSA-N 0 1 415.512 0.870 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CCc4nc[nH]c4C3)c2)nn1 ZINC000463839208 1075823516 /nfs/dbraw/zinc/82/35/16/1075823516.db2.gz WHUGRLLOINUMGD-GFCCVEGCSA-N 0 1 409.406 0.389 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CCc4nc[nH]c4C3)c2)nn1 ZINC000463839209 1075823531 /nfs/dbraw/zinc/82/35/31/1075823531.db2.gz WHUGRLLOINUMGD-LBPRGKRZSA-N 0 1 409.406 0.389 20 0 HCADMN O=S(=O)(CCCN1CCOCC1)N1CCC(CCCN2CCOCC2)CC1 ZINC000463845138 1075824548 /nfs/dbraw/zinc/82/45/48/1075824548.db2.gz LLCGMPVFYDYGIK-UHFFFAOYSA-N 0 1 403.589 0.863 20 0 HCADMN COc1cc(C(=O)NCC[NH+]2CCSCC2)cc([N-]S(C)(=O)=O)c1OC ZINC000463848343 1075822316 /nfs/dbraw/zinc/82/23/16/1075822316.db2.gz JASHABRMXAEYKC-UHFFFAOYSA-N 0 1 403.526 0.854 20 0 HCADMN O=S(=O)(CCCN1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000463858680 1075829884 /nfs/dbraw/zinc/82/98/84/1075829884.db2.gz ITFKPDCOPWXZMT-PMACEKPBSA-N 0 1 411.568 0.511 20 0 HCADMN O=S(=O)(CCCN1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000463858681 1075829952 /nfs/dbraw/zinc/82/99/52/1075829952.db2.gz ITFKPDCOPWXZMT-UXHICEINSA-N 0 1 411.568 0.511 20 0 HCADMN O=S(=O)(CCCN1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000463858682 1075829970 /nfs/dbraw/zinc/82/99/70/1075829970.db2.gz ITFKPDCOPWXZMT-VQTJNVASSA-N 0 1 411.568 0.511 20 0 HCADMN O=S(=O)(CCCN1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000463858683 1075829915 /nfs/dbraw/zinc/82/99/15/1075829915.db2.gz ITFKPDCOPWXZMT-WOJBJXKFSA-N 0 1 411.568 0.511 20 0 HCADMN O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cn(Cc2ccccn2)nn1 ZINC000463866194 1075825738 /nfs/dbraw/zinc/82/57/38/1075825738.db2.gz KRMANAWKIUBFPC-UHFFFAOYSA-N 0 1 421.509 0.844 20 0 HCADMN 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/nfs/dbraw/zinc/83/81/26/1075838126.db2.gz IMHWPWCGNBOSSY-UHFFFAOYSA-N 0 1 406.482 0.711 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(CC(C)(C)O)CC3)c2)nn1 ZINC000463887029 1075838079 /nfs/dbraw/zinc/83/80/79/1075838079.db2.gz HFAMSCONQIYYCP-UHFFFAOYSA-N 0 1 402.455 0.974 20 0 HCADMN COc1cc(C(=O)NCCN2CCOC[C@H]2C)cc(NS(C)(=O)=O)c1OC ZINC000463887746 1075838323 /nfs/dbraw/zinc/83/83/23/1075838323.db2.gz PPWJBADFWFRDGJ-GFCCVEGCSA-N 0 1 401.485 0.526 20 0 HCADMN COc1cc(C(=O)NCCN2CCOC[C@@H]2C)cc(NS(C)(=O)=O)c1OC ZINC000463887747 1075838297 /nfs/dbraw/zinc/83/82/97/1075838297.db2.gz PPWJBADFWFRDGJ-LBPRGKRZSA-N 0 1 401.485 0.526 20 0 HCADMN COc1cc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463888296 1075838131 /nfs/dbraw/zinc/83/81/31/1075838131.db2.gz RXRRTMZYIAWCKJ-CHWSQXEVSA-N 0 1 415.512 0.914 20 0 HCADMN COc1cc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463888297 1075838095 /nfs/dbraw/zinc/83/80/95/1075838095.db2.gz RXRRTMZYIAWCKJ-OLZOCXBDSA-N 0 1 415.512 0.914 20 0 HCADMN COc1cc(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463888298 1075838112 /nfs/dbraw/zinc/83/81/12/1075838112.db2.gz RXRRTMZYIAWCKJ-QWHCGFSZSA-N 0 1 415.512 0.914 20 0 HCADMN COc1cc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463888299 1075838339 /nfs/dbraw/zinc/83/83/39/1075838339.db2.gz RXRRTMZYIAWCKJ-STQMWFEESA-N 0 1 415.512 0.914 20 0 HCADMN NC(=O)CS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCC3)CCOCC2)cc1 ZINC000463888899 1075838494 /nfs/dbraw/zinc/83/84/94/1075838494.db2.gz VTVCNLLGCYLHSZ-UHFFFAOYSA-N 0 1 409.508 0.320 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(C[C@H](C)O)C[C@@H]3C)c2)nn1 ZINC000463906153 1075840036 /nfs/dbraw/zinc/84/00/36/1075840036.db2.gz HIGLWQSONUAWJL-KBPBESRZSA-N 0 1 402.455 0.973 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(C[C@H](C)O)C[C@H]3C)c2)nn1 ZINC000463906154 1075840008 /nfs/dbraw/zinc/84/00/08/1075840008.db2.gz HIGLWQSONUAWJL-KGLIPLIRSA-N 0 1 402.455 0.973 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(C[C@@H](C)O)C[C@@H]3C)c2)nn1 ZINC000463906155 1075839972 /nfs/dbraw/zinc/83/99/72/1075839972.db2.gz HIGLWQSONUAWJL-UONOGXRCSA-N 0 1 402.455 0.973 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(C[C@@H](C)O)C[C@H]3C)c2)nn1 ZINC000463906156 1075839997 /nfs/dbraw/zinc/83/99/97/1075839997.db2.gz HIGLWQSONUAWJL-ZIAGYGMSSA-N 0 1 402.455 0.973 20 0 HCADMN CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463928740 1075840656 /nfs/dbraw/zinc/84/06/56/1075840656.db2.gz XNKCWVIWLFZCME-HNNXBMFYSA-N 0 1 402.455 0.974 20 0 HCADMN CC[C@H](CO)N1CCN(C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463928741 1075840605 /nfs/dbraw/zinc/84/06/05/1075840605.db2.gz XNKCWVIWLFZCME-OAHLLOKOSA-N 0 1 402.455 0.974 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N[C@@H](C)CN3CCN(C)CC3)c2)nn1 ZINC000463940149 1075841461 /nfs/dbraw/zinc/84/14/61/1075841461.db2.gz ZMEMDJONCWJVRK-AWEZNQCLSA-N 0 1 401.471 0.811 20 0 HCADMN COC(=O)c1cn(-c2cccc(NC(=O)N[C@H](C)CN3CCN(C)CC3)c2)nn1 ZINC000463940150 1075841433 /nfs/dbraw/zinc/84/14/33/1075841433.db2.gz ZMEMDJONCWJVRK-CQSZACIVSA-N 0 1 401.471 0.811 20 0 HCADMN CN1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](O)C2(C)C)CC1 ZINC000463973000 1075844467 /nfs/dbraw/zinc/84/44/67/1075844467.db2.gz GDLGLTRLVHKUTC-KRWDZBQOSA-N 0 1 402.495 0.775 20 0 HCADMN CN1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)CC1 ZINC000463973001 1075844509 /nfs/dbraw/zinc/84/45/09/1075844509.db2.gz GDLGLTRLVHKUTC-QGZVFWFLSA-N 0 1 402.495 0.775 20 0 HCADMN CCN(C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)[C@@H]1CCOC1 ZINC000463996957 1075847764 /nfs/dbraw/zinc/84/77/64/1075847764.db2.gz PKWXHFKAEKJWHC-GOSISDBHSA-N 0 1 404.511 0.889 20 0 HCADMN CCN(C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000463996958 1075847745 /nfs/dbraw/zinc/84/77/45/1075847745.db2.gz PKWXHFKAEKJWHC-SFHVURJKSA-N 0 1 404.511 0.889 20 0 HCADMN CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000463997228 1075847546 /nfs/dbraw/zinc/84/75/46/1075847546.db2.gz 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ZINC000464114941 1075867457 /nfs/dbraw/zinc/86/74/57/1075867457.db2.gz LNLQXTGKSFIONN-INIZCTEOSA-N 0 1 422.445 0.222 20 0 HCADMN Cc1cc(N2CC[C@@H](NC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)C2=O)n(C)n1 ZINC000464114942 1075867445 /nfs/dbraw/zinc/86/74/45/1075867445.db2.gz LNLQXTGKSFIONN-MRXNPFEDSA-N 0 1 422.445 0.222 20 0 HCADMN NC(=O)COc1cccc(CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000464137861 1075867942 /nfs/dbraw/zinc/86/79/42/1075867942.db2.gz FPVBXOYSVXLPRP-UHFFFAOYSA-N 0 1 408.414 0.438 20 0 HCADMN Cn1c(=O)c2cc(C(=O)Nc3cccc(N4CCC[NH+]=C4[O-])c3)cnc2n(C)c1=O ZINC000464185807 1075875482 /nfs/dbraw/zinc/87/54/82/1075875482.db2.gz HSJMGDJLVIKTHJ-UHFFFAOYSA-N 0 1 408.418 0.804 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000464201436 1075879290 /nfs/dbraw/zinc/87/92/90/1075879290.db2.gz SEKSHGLHJXYHMQ-CHWSQXEVSA-N 0 1 422.525 0.617 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000464201437 1075879243 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NC(=O)[C@H]1CCCN(CCCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000464249711 1075883484 /nfs/dbraw/zinc/88/34/84/1075883484.db2.gz JZVVJGDCDVZCQU-INIZCTEOSA-N 0 1 414.572 0.717 20 0 HCADMN NC(=O)[C@@H]1CCCN(CCCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000464249712 1075883459 /nfs/dbraw/zinc/88/34/59/1075883459.db2.gz JZVVJGDCDVZCQU-MRXNPFEDSA-N 0 1 414.572 0.717 20 0 HCADMN CCC1(CC)CN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CCS1(=O)=O ZINC000464253528 1075881819 /nfs/dbraw/zinc/88/18/19/1075881819.db2.gz VPIGKINAXZWCKY-HNNXBMFYSA-N 0 1 402.561 0.573 20 0 HCADMN CCC1(CC)CN(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CCS1(=O)=O ZINC000464253529 1075882020 /nfs/dbraw/zinc/88/20/20/1075882020.db2.gz VPIGKINAXZWCKY-OAHLLOKOSA-N 0 1 402.561 0.573 20 0 HCADMN COc1cc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)cc(NS(C)(=O)=O)c1OC ZINC000464262553 1075884791 /nfs/dbraw/zinc/88/47/91/1075884791.db2.gz WSDRRIUTSHSCDJ-AAEUAGOBSA-N 0 1 402.469 0.687 20 0 HCADMN COc1cc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)cc(NS(C)(=O)=O)c1OC ZINC000464262554 1075884797 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CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000494036392 1077391127 /nfs/dbraw/zinc/39/11/27/1077391127.db2.gz FBAWYOMIOKZJSV-INIZCTEOSA-N 0 1 423.539 0.879 20 0 HCADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000494036395 1077391141 /nfs/dbraw/zinc/39/11/41/1077391141.db2.gz FBAWYOMIOKZJSV-MRXNPFEDSA-N 0 1 423.539 0.879 20 0 HCADMN CN1CCN(c2cc(C(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)ccn2)CC1 ZINC000494036466 1077391457 /nfs/dbraw/zinc/39/14/57/1077391457.db2.gz FJPDTDULEYELBT-INIZCTEOSA-N 0 1 421.567 0.767 20 0 HCADMN CN1CCN(c2cc(C(=O)N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)ccn2)CC1 ZINC000494036467 1077391399 /nfs/dbraw/zinc/39/13/99/1077391399.db2.gz FJPDTDULEYELBT-MRXNPFEDSA-N 0 1 421.567 0.767 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)[nH]c21 ZINC000494081639 1077400086 /nfs/dbraw/zinc/40/00/86/1077400086.db2.gz IRZCONVKLRIGJZ-UHFFFAOYSA-N 0 1 420.451 0.699 20 0 HCADMN COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000494087451 1077400785 /nfs/dbraw/zinc/40/07/85/1077400785.db2.gz GSMHUPDAYOCZQP-KRWDZBQOSA-N 0 1 413.540 0.789 20 0 HCADMN COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000494087452 1077400447 /nfs/dbraw/zinc/40/04/47/1077400447.db2.gz GSMHUPDAYOCZQP-QGZVFWFLSA-N 0 1 413.540 0.789 20 0 HCADMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n[nH]2)cc1 ZINC000494089369 1077400749 /nfs/dbraw/zinc/40/07/49/1077400749.db2.gz LOFVRADARYHEAW-UHFFFAOYSA-N 0 1 411.462 0.528 20 0 HCADMN O=C(C(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1)N1CCOCC1 ZINC000494089643 1077396012 /nfs/dbraw/zinc/39/60/12/1077396012.db2.gz PSLFVCVPACUXFR-UHFFFAOYSA-N 0 1 415.425 0.359 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[nH]c21 ZINC000494096906 1077397072 /nfs/dbraw/zinc/39/70/72/1077397072.db2.gz PDGVBXHGYGPTAV-GHMZBOCLSA-N 0 1 420.447 0.324 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[nH]c21 ZINC000494096908 1077397158 /nfs/dbraw/zinc/39/71/58/1077397158.db2.gz PDGVBXHGYGPTAV-MNOVXSKESA-N 0 1 420.447 0.324 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[nH]c21 ZINC000494096909 1077396977 /nfs/dbraw/zinc/39/69/77/1077396977.db2.gz PDGVBXHGYGPTAV-QWRGUYRKSA-N 0 1 420.447 0.324 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[nH]c21 ZINC000494096910 1077397030 /nfs/dbraw/zinc/39/70/30/1077397030.db2.gz PDGVBXHGYGPTAV-WDEREUQCSA-N 0 1 420.447 0.324 20 0 HCADMN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1=O ZINC000494100103 1077397700 /nfs/dbraw/zinc/39/77/00/1077397700.db2.gz VXXJWANTPZFSGQ-ATZDWAIDSA-N 0 1 413.522 0.498 20 0 HCADMN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1=O ZINC000494100104 1077397659 /nfs/dbraw/zinc/39/76/59/1077397659.db2.gz VXXJWANTPZFSGQ-AYOQOUSVSA-N 0 1 413.522 0.498 20 0 HCADMN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1=O ZINC000494100105 1077397578 /nfs/dbraw/zinc/39/75/78/1077397578.db2.gz VXXJWANTPZFSGQ-LZQZEXGQSA-N 0 1 413.522 0.498 20 0 HCADMN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1=O ZINC000494100106 1077397642 /nfs/dbraw/zinc/39/76/42/1077397642.db2.gz VXXJWANTPZFSGQ-MNEFBYGVSA-N 0 1 413.522 0.498 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c21 ZINC000494102942 1077406039 /nfs/dbraw/zinc/40/60/39/1077406039.db2.gz FCJVQXZZOPHUAN-SECBINFHSA-N 0 1 406.424 0.389 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c21 ZINC000494102943 1077405516 /nfs/dbraw/zinc/40/55/16/1077405516.db2.gz FCJVQXZZOPHUAN-VIFPVBQESA-N 0 1 406.424 0.389 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)[nH]c21 ZINC000494103001 1077405704 /nfs/dbraw/zinc/40/57/04/1077405704.db2.gz GIBZFWWKNPMSPL-UHFFFAOYSA-N 0 1 416.415 0.861 20 0 HCADMN COC(=O)c1cccc2nc(NC(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)[nH]c21 ZINC000494103307 1077405944 /nfs/dbraw/zinc/40/59/44/1077405944.db2.gz 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ZINC000494133633 1077409298 /nfs/dbraw/zinc/40/92/98/1077409298.db2.gz CKJOUXNAEXDARK-MJGOQNOKSA-N 0 1 414.510 0.976 20 0 HCADMN CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000494133634 1077409171 /nfs/dbraw/zinc/40/91/71/1077409171.db2.gz CKJOUXNAEXDARK-PKOBYXMFSA-N 0 1 414.510 0.976 20 0 HCADMN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCS[C@H](C)CC2)CC1 ZINC000494145654 1077413535 /nfs/dbraw/zinc/41/35/35/1077413535.db2.gz OXDIOVIOYJEPLY-CYBMUJFWSA-N 0 1 416.569 0.952 20 0 HCADMN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCS[C@@H](C)CC2)CC1 ZINC000494145655 1077413730 /nfs/dbraw/zinc/41/37/30/1077413730.db2.gz OXDIOVIOYJEPLY-ZDUSSCGKSA-N 0 1 416.569 0.952 20 0 HCADMN COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cnn[nH]3)CC2)cc1OC ZINC000494155510 1077415660 /nfs/dbraw/zinc/41/56/60/1077415660.db2.gz GHWHLNRZGWMXBS-UHFFFAOYSA-N 0 1 409.468 0.653 20 0 HCADMN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(F)c1 ZINC000494156930 1077414407 /nfs/dbraw/zinc/41/44/07/1077414407.db2.gz 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CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000494201811 1077440960 /nfs/dbraw/zinc/44/09/60/1077440960.db2.gz OYSOMGVXNQJBJH-CABCVRRESA-N 0 1 405.499 0.802 20 0 HCADMN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000494201812 1077441080 /nfs/dbraw/zinc/44/10/80/1077441080.db2.gz OYSOMGVXNQJBJH-GJZGRUSLSA-N 0 1 405.499 0.802 20 0 HCADMN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000494201813 1077440914 /nfs/dbraw/zinc/44/09/14/1077440914.db2.gz OYSOMGVXNQJBJH-HUUCEWRRSA-N 0 1 405.499 0.802 20 0 HCADMN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000494201814 1077441603 /nfs/dbraw/zinc/44/16/03/1077441603.db2.gz OYSOMGVXNQJBJH-LSDHHAIUSA-N 0 1 405.499 0.802 20 0 HCADMN CNC(=O)[C@H](CCSC)NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1 ZINC000494202963 1077441599 /nfs/dbraw/zinc/44/15/99/1077441599.db2.gz ZLBYLSQJCHDYJG-HNNXBMFYSA-N 0 1 420.491 0.479 20 0 HCADMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)C1 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0.380 20 0 HCADMN COC[C@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccco1 ZINC000495782192 1077888959 /nfs/dbraw/zinc/88/89/59/1077888959.db2.gz CDNPHUCUTPEHIP-INIZCTEOSA-N 0 1 422.526 0.826 20 0 HCADMN COC[C@@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccco1 ZINC000495782193 1077889003 /nfs/dbraw/zinc/88/90/03/1077889003.db2.gz CDNPHUCUTPEHIP-MRXNPFEDSA-N 0 1 422.526 0.826 20 0 HCADMN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000495828422 1077920486 /nfs/dbraw/zinc/92/04/86/1077920486.db2.gz CVPHVQMDDYDMRK-FQEVSTJZSA-N 0 1 424.549 0.942 20 0 HCADMN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000495828423 1077920395 /nfs/dbraw/zinc/92/03/95/1077920395.db2.gz CVPHVQMDDYDMRK-HXUWFJFHSA-N 0 1 424.549 0.942 20 0 HCADMN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495925075 1077946025 /nfs/dbraw/zinc/94/60/25/1077946025.db2.gz DPPWPAGFHJKZJY-APWZRJJASA-N 0 1 414.506 0.959 20 0 HCADMN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495925077 1077946107 /nfs/dbraw/zinc/94/61/07/1077946107.db2.gz DPPWPAGFHJKZJY-LPHOPBHVSA-N 0 1 414.506 0.959 20 0 HCADMN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495925078 1077945995 /nfs/dbraw/zinc/94/59/95/1077945995.db2.gz DPPWPAGFHJKZJY-QFBILLFUSA-N 0 1 414.506 0.959 20 0 HCADMN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000495925079 1077946216 /nfs/dbraw/zinc/94/62/16/1077946216.db2.gz DPPWPAGFHJKZJY-VQIMIIECSA-N 0 1 414.506 0.959 20 0 HCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(OC)c(OC)c1 ZINC000495928263 1077948332 /nfs/dbraw/zinc/94/83/32/1077948332.db2.gz KTGKAXDUZLVTNB-DOMZBBRYSA-N 0 1 405.451 0.982 20 0 HCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(OC)c(OC)c1 ZINC000495928264 1077948346 /nfs/dbraw/zinc/94/83/46/1077948346.db2.gz KTGKAXDUZLVTNB-IUODEOHRSA-N 0 1 405.451 0.982 20 0 HCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(OC)c(OC)c1 ZINC000495928265 1077948573 /nfs/dbraw/zinc/94/85/73/1077948573.db2.gz KTGKAXDUZLVTNB-SWLSCSKDSA-N 0 1 405.451 0.982 20 0 HCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(OC)c(OC)c1 ZINC000495928266 1077948651 /nfs/dbraw/zinc/94/86/51/1077948651.db2.gz KTGKAXDUZLVTNB-WFASDCNBSA-N 0 1 405.451 0.982 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000495929660 1077949376 /nfs/dbraw/zinc/94/93/76/1077949376.db2.gz NPVLULAPHBNJLD-PBHICJAKSA-N 0 1 406.508 0.718 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000495929662 1077949501 /nfs/dbraw/zinc/94/95/01/1077949501.db2.gz NPVLULAPHBNJLD-RHSMWYFYSA-N 0 1 406.508 0.718 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000495929665 1077948976 /nfs/dbraw/zinc/94/89/76/1077948976.db2.gz NPVLULAPHBNJLD-WMLDXEAASA-N 0 1 406.508 0.718 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000495929666 1077949092 /nfs/dbraw/zinc/94/90/92/1077949092.db2.gz NPVLULAPHBNJLD-YOEHRIQHSA-N 0 1 406.508 0.718 20 0 HCADMN CCN1CCN(CC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000495953292 1077951769 /nfs/dbraw/zinc/95/17/69/1077951769.db2.gz KQUNYKWUSCBADV-IBGZPJMESA-N 0 1 407.946 0.648 20 0 HCADMN CCN1CCN(CC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000495953299 1077951978 /nfs/dbraw/zinc/95/19/78/1077951978.db2.gz KQUNYKWUSCBADV-LJQANCHMSA-N 0 1 407.946 0.648 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)[C@@H]2C1 ZINC000495965678 1077954380 /nfs/dbraw/zinc/95/43/80/1077954380.db2.gz JUFJYKOUJAISGT-CXAGYDPISA-N 0 1 424.498 0.857 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)[C@H]2C1 ZINC000495965684 1077954218 /nfs/dbraw/zinc/95/42/18/1077954218.db2.gz JUFJYKOUJAISGT-DYVFJYSZSA-N 0 1 424.498 0.857 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)[C@H]2C1 ZINC000495965687 1077954122 /nfs/dbraw/zinc/95/41/22/1077954122.db2.gz JUFJYKOUJAISGT-GUYCJALGSA-N 0 1 424.498 0.857 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)[C@@H]2C1 ZINC000495965690 1077954233 /nfs/dbraw/zinc/95/42/33/1077954233.db2.gz JUFJYKOUJAISGT-SUMWQHHRSA-N 0 1 424.498 0.857 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000495966134 1077954190 /nfs/dbraw/zinc/95/41/90/1077954190.db2.gz LBBAPIQPFHQOSD-BLLLJJGKSA-N 0 1 412.487 0.567 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000495966137 1077954248 /nfs/dbraw/zinc/95/42/48/1077954248.db2.gz LBBAPIQPFHQOSD-LRDDRELGSA-N 0 1 412.487 0.567 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000495966138 1077954333 /nfs/dbraw/zinc/95/43/33/1077954333.db2.gz LBBAPIQPFHQOSD-MLGOLLRUSA-N 0 1 412.487 0.567 20 0 HCADMN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000495966139 1077954075 /nfs/dbraw/zinc/95/40/75/1077954075.db2.gz LBBAPIQPFHQOSD-WBMJQRKESA-N 0 1 412.487 0.567 20 0 HCADMN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000495968587 1077955926 /nfs/dbraw/zinc/95/59/26/1077955926.db2.gz OPFLPZNPPBDNNI-KBXCAEBGSA-N 0 1 420.535 0.961 20 0 HCADMN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000495968589 1077955816 /nfs/dbraw/zinc/95/58/16/1077955816.db2.gz OPFLPZNPPBDNNI-KDOFPFPSSA-N 0 1 420.535 0.961 20 0 HCADMN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000495968591 1077955648 /nfs/dbraw/zinc/95/56/48/1077955648.db2.gz OPFLPZNPPBDNNI-KSSFIOAISA-N 0 1 420.535 0.961 20 0 HCADMN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000495968594 1077955963 /nfs/dbraw/zinc/95/59/63/1077955963.db2.gz OPFLPZNPPBDNNI-RDTXWAMCSA-N 0 1 420.535 0.961 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000495969374 1077955696 /nfs/dbraw/zinc/95/56/96/1077955696.db2.gz QAMIOBMUYPBZKK-HKUYNNGSSA-N 0 1 414.506 0.579 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000495969377 1077955740 /nfs/dbraw/zinc/95/57/40/1077955740.db2.gz QAMIOBMUYPBZKK-IEBWSBKVSA-N 0 1 414.506 0.579 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000495969378 1077955865 /nfs/dbraw/zinc/95/58/65/1077955865.db2.gz QAMIOBMUYPBZKK-MJGOQNOKSA-N 0 1 414.506 0.579 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000495969379 1077955577 /nfs/dbraw/zinc/95/55/77/1077955577.db2.gz QAMIOBMUYPBZKK-PKOBYXMFSA-N 0 1 414.506 0.579 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@@H]2C1 ZINC000495969466 1077955678 /nfs/dbraw/zinc/95/56/78/1077955678.db2.gz QLCSMPNUSGITRH-KBXCAEBGSA-N 0 1 420.535 0.495 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@H]2C1 ZINC000495969467 1077956438 /nfs/dbraw/zinc/95/64/38/1077956438.db2.gz QLCSMPNUSGITRH-KDOFPFPSSA-N 0 1 420.535 0.495 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@H]2C1 ZINC000495969468 1077956309 /nfs/dbraw/zinc/95/63/09/1077956309.db2.gz QLCSMPNUSGITRH-KSSFIOAISA-N 0 1 420.535 0.495 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)[C@@H]2C1 ZINC000495969469 1077956565 /nfs/dbraw/zinc/95/65/65/1077956565.db2.gz QLCSMPNUSGITRH-RDTXWAMCSA-N 0 1 420.535 0.495 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000495972424 1077956519 /nfs/dbraw/zinc/95/65/19/1077956519.db2.gz YDFULKMBYMXXRQ-CRAIPNDOSA-N 0 1 400.479 0.650 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000495972425 1077956203 /nfs/dbraw/zinc/95/62/03/1077956203.db2.gz YDFULKMBYMXXRQ-MAUKXSAKSA-N 0 1 400.479 0.650 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000495972426 1077956248 /nfs/dbraw/zinc/95/62/48/1077956248.db2.gz YDFULKMBYMXXRQ-QAPCUYQASA-N 0 1 400.479 0.650 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000495972427 1077956662 /nfs/dbraw/zinc/95/66/62/1077956662.db2.gz YDFULKMBYMXXRQ-YJBOKZPZSA-N 0 1 400.479 0.650 20 0 HCADMN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495984967 1077958863 /nfs/dbraw/zinc/95/88/63/1077958863.db2.gz BYDZQOLBVDCUGF-APWZRJJASA-N 0 1 414.506 0.959 20 0 HCADMN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495984970 1077958977 /nfs/dbraw/zinc/95/89/77/1077958977.db2.gz BYDZQOLBVDCUGF-LPHOPBHVSA-N 0 1 414.506 0.959 20 0 HCADMN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495984972 1077958674 /nfs/dbraw/zinc/95/86/74/1077958674.db2.gz BYDZQOLBVDCUGF-QFBILLFUSA-N 0 1 414.506 0.959 20 0 HCADMN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000495984973 1077958930 /nfs/dbraw/zinc/95/89/30/1077958930.db2.gz BYDZQOLBVDCUGF-VQIMIIECSA-N 0 1 414.506 0.959 20 0 HCADMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000496015195 1077966013 /nfs/dbraw/zinc/96/60/13/1077966013.db2.gz RWGUSWDXPSTDPH-BBRMVZONSA-N 0 1 424.523 0.437 20 0 HCADMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000496015196 1077966115 /nfs/dbraw/zinc/96/61/15/1077966115.db2.gz RWGUSWDXPSTDPH-CJNGLKHVSA-N 0 1 424.523 0.437 20 0 HCADMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000496015197 1077966650 /nfs/dbraw/zinc/96/66/50/1077966650.db2.gz RWGUSWDXPSTDPH-CZUORRHYSA-N 0 1 424.523 0.437 20 0 HCADMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000496015198 1077966502 /nfs/dbraw/zinc/96/65/02/1077966502.db2.gz RWGUSWDXPSTDPH-XJKSGUPXSA-N 0 1 424.523 0.437 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@@H]2C1 ZINC000496016136 1077966555 /nfs/dbraw/zinc/96/65/55/1077966555.db2.gz USSNVFQBPMDUJQ-CRAIPNDOSA-N 0 1 420.535 0.413 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@@H]2C1 ZINC000496016137 1077966404 /nfs/dbraw/zinc/96/64/04/1077966404.db2.gz USSNVFQBPMDUJQ-MAUKXSAKSA-N 0 1 420.535 0.413 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@H]2C1 ZINC000496016139 1077966472 /nfs/dbraw/zinc/96/64/72/1077966472.db2.gz USSNVFQBPMDUJQ-QAPCUYQASA-N 0 1 420.535 0.413 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)[C@H]2C1 ZINC000496016140 1077966374 /nfs/dbraw/zinc/96/63/74/1077966374.db2.gz USSNVFQBPMDUJQ-YJBOKZPZSA-N 0 1 420.535 0.413 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@H]2C1 ZINC000496032963 1077970683 /nfs/dbraw/zinc/97/06/83/1077970683.db2.gz KIMRCCFKFYQLAW-PBHICJAKSA-N 0 1 406.508 0.718 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@@H]2C1 ZINC000496032964 1077970601 /nfs/dbraw/zinc/97/06/01/1077970601.db2.gz KIMRCCFKFYQLAW-RHSMWYFYSA-N 0 1 406.508 0.718 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@@H]2C1 ZINC000496032965 1077970515 /nfs/dbraw/zinc/97/05/15/1077970515.db2.gz KIMRCCFKFYQLAW-WMLDXEAASA-N 0 1 406.508 0.718 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)[C@H]2C1 ZINC000496032966 1077970374 /nfs/dbraw/zinc/97/03/74/1077970374.db2.gz KIMRCCFKFYQLAW-YOEHRIQHSA-N 0 1 406.508 0.718 20 0 HCADMN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000496033136 1077970643 /nfs/dbraw/zinc/97/06/43/1077970643.db2.gz LWTRUHSTGLDHSP-BBRMVZONSA-N 0 1 402.451 0.081 20 0 HCADMN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000496033137 1077970455 /nfs/dbraw/zinc/97/04/55/1077970455.db2.gz LWTRUHSTGLDHSP-CJNGLKHVSA-N 0 1 402.451 0.081 20 0 HCADMN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000496033138 1077970575 /nfs/dbraw/zinc/97/05/75/1077970575.db2.gz LWTRUHSTGLDHSP-CZUORRHYSA-N 0 1 402.451 0.081 20 0 HCADMN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000496033139 1077970318 /nfs/dbraw/zinc/97/03/18/1077970318.db2.gz LWTRUHSTGLDHSP-XJKSGUPXSA-N 0 1 402.451 0.081 20 0 HCADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000496033322 1077970552 /nfs/dbraw/zinc/97/05/52/1077970552.db2.gz NFYZFHJBLIFKBD-PBHICJAKSA-N 0 1 408.524 0.864 20 0 HCADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000496033323 1077970406 /nfs/dbraw/zinc/97/04/06/1077970406.db2.gz NFYZFHJBLIFKBD-RHSMWYFYSA-N 0 1 408.524 0.864 20 0 HCADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000496033324 1077970279 /nfs/dbraw/zinc/97/02/79/1077970279.db2.gz NFYZFHJBLIFKBD-WMLDXEAASA-N 0 1 408.524 0.864 20 0 HCADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000496033325 1077969880 /nfs/dbraw/zinc/96/98/80/1077969880.db2.gz NFYZFHJBLIFKBD-YOEHRIQHSA-N 0 1 408.524 0.864 20 0 HCADMN CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000496034218 1077973727 /nfs/dbraw/zinc/97/37/27/1077973727.db2.gz QYOVEYKSZFBKLK-DOMZBBRYSA-N 0 1 401.496 0.875 20 0 HCADMN CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000496034219 1077973571 /nfs/dbraw/zinc/97/35/71/1077973571.db2.gz QYOVEYKSZFBKLK-IUODEOHRSA-N 0 1 401.496 0.875 20 0 HCADMN CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000496034220 1077973744 /nfs/dbraw/zinc/97/37/44/1077973744.db2.gz QYOVEYKSZFBKLK-SWLSCSKDSA-N 0 1 401.496 0.875 20 0 HCADMN CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000496034221 1077973586 /nfs/dbraw/zinc/97/35/86/1077973586.db2.gz QYOVEYKSZFBKLK-WFASDCNBSA-N 0 1 401.496 0.875 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@@H]2C1 ZINC000496034540 1077974167 /nfs/dbraw/zinc/97/41/67/1077974167.db2.gz SJTBHSYRQTUDCA-CRAIPNDOSA-N 0 1 420.535 0.962 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@@H]2C1 ZINC000496034541 1077974570 /nfs/dbraw/zinc/97/45/70/1077974570.db2.gz SJTBHSYRQTUDCA-MAUKXSAKSA-N 0 1 420.535 0.962 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@H]2C1 ZINC000496034542 1077974239 /nfs/dbraw/zinc/97/42/39/1077974239.db2.gz SJTBHSYRQTUDCA-QAPCUYQASA-N 0 1 420.535 0.962 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@H]2C1 ZINC000496034543 1077974095 /nfs/dbraw/zinc/97/40/95/1077974095.db2.gz SJTBHSYRQTUDCA-YJBOKZPZSA-N 0 1 420.535 0.962 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000496034710 1077973759 /nfs/dbraw/zinc/97/37/59/1077973759.db2.gz SXOUNQPMRDSQNI-CXAGYDPISA-N 0 1 424.498 0.857 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000496034711 1077973550 /nfs/dbraw/zinc/97/35/50/1077973550.db2.gz SXOUNQPMRDSQNI-DYVFJYSZSA-N 0 1 424.498 0.857 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000496034712 1077974212 /nfs/dbraw/zinc/97/42/12/1077974212.db2.gz SXOUNQPMRDSQNI-GUYCJALGSA-N 0 1 424.498 0.857 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000496034713 1077974479 /nfs/dbraw/zinc/97/44/79/1077974479.db2.gz SXOUNQPMRDSQNI-SUMWQHHRSA-N 0 1 424.498 0.857 20 0 HCADMN Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035147 1077973710 /nfs/dbraw/zinc/97/37/10/1077973710.db2.gz VXYXVORNIJROEK-DOTOQJQBSA-N 0 1 402.495 0.953 20 0 HCADMN Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035148 1077973478 /nfs/dbraw/zinc/97/34/78/1077973478.db2.gz VXYXVORNIJROEK-NVXWUHKLSA-N 0 1 402.495 0.953 20 0 HCADMN Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035149 1077973604 /nfs/dbraw/zinc/97/36/04/1077973604.db2.gz VXYXVORNIJROEK-RDJZCZTQSA-N 0 1 402.495 0.953 20 0 HCADMN Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035150 1077973657 /nfs/dbraw/zinc/97/36/57/1077973657.db2.gz VXYXVORNIJROEK-WBVHZDCISA-N 0 1 402.495 0.953 20 0 HCADMN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCN(C2CCCC2)CC1 ZINC000496044840 1077978016 /nfs/dbraw/zinc/97/80/16/1077978016.db2.gz HNAPZEBRYVNRHI-UHFFFAOYSA-N 0 1 420.535 0.508 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000496049521 1077975327 /nfs/dbraw/zinc/97/53/27/1077975327.db2.gz BXOGRTPOQQEQJA-CRAIPNDOSA-N 0 1 400.479 0.650 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000496049522 1077975877 /nfs/dbraw/zinc/97/58/77/1077975877.db2.gz BXOGRTPOQQEQJA-MAUKXSAKSA-N 0 1 400.479 0.650 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000496049523 1077976112 /nfs/dbraw/zinc/97/61/12/1077976112.db2.gz BXOGRTPOQQEQJA-QAPCUYQASA-N 0 1 400.479 0.650 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000496049524 1077976167 /nfs/dbraw/zinc/97/61/67/1077976167.db2.gz BXOGRTPOQQEQJA-YJBOKZPZSA-N 0 1 400.479 0.650 20 0 HCADMN Cc1c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050079 1077976042 /nfs/dbraw/zinc/97/60/42/1077976042.db2.gz CNGYJQURUXPEGX-APWZRJJASA-N 0 1 414.506 0.959 20 0 HCADMN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050080 1077975823 /nfs/dbraw/zinc/97/58/23/1077975823.db2.gz CNGYJQURUXPEGX-LPHOPBHVSA-N 0 1 414.506 0.959 20 0 HCADMN Cc1c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050081 1077976191 /nfs/dbraw/zinc/97/61/91/1077976191.db2.gz CNGYJQURUXPEGX-QFBILLFUSA-N 0 1 414.506 0.959 20 0 HCADMN Cc1c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050082 1077976269 /nfs/dbraw/zinc/97/62/69/1077976269.db2.gz CNGYJQURUXPEGX-VQIMIIECSA-N 0 1 414.506 0.959 20 0 HCADMN COc1cc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050975 1077976536 /nfs/dbraw/zinc/97/65/36/1077976536.db2.gz FQRDLGTYIYVEJO-DZGCQCFKSA-N 0 1 424.523 0.437 20 0 HCADMN COc1cc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050977 1077976733 /nfs/dbraw/zinc/97/67/33/1077976733.db2.gz FQRDLGTYIYVEJO-HIFRSBDPSA-N 0 1 424.523 0.437 20 0 HCADMN COc1cc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050979 1077976828 /nfs/dbraw/zinc/97/68/28/1077976828.db2.gz FQRDLGTYIYVEJO-UKRRQHHQSA-N 0 1 424.523 0.437 20 0 HCADMN COc1cc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050982 1077976608 /nfs/dbraw/zinc/97/66/08/1077976608.db2.gz FQRDLGTYIYVEJO-ZFWWWQNUSA-N 0 1 424.523 0.437 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000496056658 1077979069 /nfs/dbraw/zinc/97/90/69/1077979069.db2.gz VGMMERHIVHEOGS-DOMZBBRYSA-N 0 1 410.496 0.558 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000496056658 1077979060 /nfs/dbraw/zinc/97/90/60/1077979060.db2.gz VGMMERHIVHEOGS-DOMZBBRYSA-N 0 1 410.496 0.558 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N-]S(C)(=O)=O ZINC000496056659 1077979491 /nfs/dbraw/zinc/97/94/91/1077979491.db2.gz VGMMERHIVHEOGS-IUODEOHRSA-N 0 1 410.496 0.558 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N-]S(C)(=O)=O ZINC000496056659 1077979481 /nfs/dbraw/zinc/97/94/81/1077979481.db2.gz VGMMERHIVHEOGS-IUODEOHRSA-N 0 1 410.496 0.558 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N-]S(C)(=O)=O ZINC000496056660 1077979140 /nfs/dbraw/zinc/97/91/40/1077979140.db2.gz VGMMERHIVHEOGS-SWLSCSKDSA-N 0 1 410.496 0.558 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N-]S(C)(=O)=O ZINC000496056660 1077979129 /nfs/dbraw/zinc/97/91/29/1077979129.db2.gz VGMMERHIVHEOGS-SWLSCSKDSA-N 0 1 410.496 0.558 20 0 HCADMN COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000496056661 1077979554 /nfs/dbraw/zinc/97/95/54/1077979554.db2.gz VGMMERHIVHEOGS-WFASDCNBSA-N 0 1 410.496 0.558 20 0 HCADMN 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CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@@H]2C1 ZINC000496057007 1077979604 /nfs/dbraw/zinc/97/96/04/1077979604.db2.gz WZVADNWJWXWQSL-BLLLJJGKSA-N 0 1 424.498 0.758 20 0 HCADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@H]2C1 ZINC000496057008 1077979094 /nfs/dbraw/zinc/97/90/94/1077979094.db2.gz WZVADNWJWXWQSL-LRDDRELGSA-N 0 1 424.498 0.758 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@@H]2C1 ZINC000496057009 1077979533 /nfs/dbraw/zinc/97/95/33/1077979533.db2.gz WZVADNWJWXWQSL-MLGOLLRUSA-N 0 1 424.498 0.758 20 0 HCADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@H]2C1 ZINC000496057010 1077979431 /nfs/dbraw/zinc/97/94/31/1077979431.db2.gz WZVADNWJWXWQSL-WBMJQRKESA-N 0 1 424.498 0.758 20 0 HCADMN CC(C)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000496060551 1077980548 /nfs/dbraw/zinc/98/05/48/1077980548.db2.gz MKFJHHBTDFSQBP-UHFFFAOYSA-N 0 1 401.554 0.864 20 0 HCADMN 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Cc1ccc2c([n-]cc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)c2=O)[nH+]1 ZINC000498537244 1078700782 /nfs/dbraw/zinc/70/07/82/1078700782.db2.gz QLYNAQPOAIISJP-UHFFFAOYSA-N 0 1 404.492 0.979 20 0 HCADMN CCN1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C ZINC000498556082 1078720573 /nfs/dbraw/zinc/72/05/73/1078720573.db2.gz OFOFVYJMDKPUTJ-ILXRZTDVSA-N 0 1 408.524 0.628 20 0 HCADMN CCN1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1C ZINC000498556083 1078720501 /nfs/dbraw/zinc/72/05/01/1078720501.db2.gz OFOFVYJMDKPUTJ-KKUMJFAQSA-N 0 1 408.524 0.628 20 0 HCADMN CCN1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C ZINC000498556084 1078720515 /nfs/dbraw/zinc/72/05/15/1078720515.db2.gz OFOFVYJMDKPUTJ-QLFBSQMISA-N 0 1 408.524 0.628 20 0 HCADMN CCN1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1C ZINC000498556085 1078720549 /nfs/dbraw/zinc/72/05/49/1078720549.db2.gz OFOFVYJMDKPUTJ-SOUVJXGZSA-N 0 1 408.524 0.628 20 0 HCADMN 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ZINC000498557723 1078721245 /nfs/dbraw/zinc/72/12/45/1078721245.db2.gz PAAVANKMBGQQAT-IAGOWNOFSA-N 0 1 409.556 0.522 20 0 HCADMN C[C@H]1CC[C@H](C)N1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000498557724 1073494274 /nfs/dbraw/zinc/49/42/74/1073494274.db2.gz PAAVANKMBGQQAT-IRXDYDNUSA-N 0 1 409.556 0.522 20 0 HCADMN CCN1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C ZINC000498558012 1073495347 /nfs/dbraw/zinc/49/53/47/1073495347.db2.gz XTNQNTJJHFSCPN-CABCVRRESA-N 0 1 408.524 0.362 20 0 HCADMN CCN1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C ZINC000498558013 1078730801 /nfs/dbraw/zinc/73/08/01/1078730801.db2.gz XTNQNTJJHFSCPN-GJZGRUSLSA-N 0 1 408.524 0.362 20 0 HCADMN CCN1C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C ZINC000498558014 1078730770 /nfs/dbraw/zinc/73/07/70/1078730770.db2.gz XTNQNTJJHFSCPN-HUUCEWRRSA-N 0 1 408.524 0.362 20 0 HCADMN CCN1C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C ZINC000498558015 1078730899 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CCN1C[C@H](C)N(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C[C@@H]1C ZINC000498582168 1078743534 /nfs/dbraw/zinc/74/35/34/1078743534.db2.gz CTDJWARQWPBPGL-KBPBESRZSA-N 0 1 402.499 0.932 20 0 HCADMN CCN1C[C@H](C)N(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C[C@H]1C ZINC000498582171 1078743586 /nfs/dbraw/zinc/74/35/86/1078743586.db2.gz CTDJWARQWPBPGL-KGLIPLIRSA-N 0 1 402.499 0.932 20 0 HCADMN CC(C)Cn1ncc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)c1C1CC1 ZINC000498588203 1078750098 /nfs/dbraw/zinc/75/00/98/1078750098.db2.gz CISQXLKARUNRTB-INIZCTEOSA-N 0 1 404.515 0.811 20 0 HCADMN CC(C)Cn1ncc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1C1CC1 ZINC000498588204 1078750041 /nfs/dbraw/zinc/75/00/41/1078750041.db2.gz CISQXLKARUNRTB-MRXNPFEDSA-N 0 1 404.515 0.811 20 0 HCADMN COc1ccc(-c2nc(CNC(=O)C(=O)Nc3cccc4c3CNC4=O)n[nH]2)cc1 ZINC000498588929 1073658659 /nfs/dbraw/zinc/65/86/59/1073658659.db2.gz QATCGEXJXCMRPC-UHFFFAOYSA-N 0 1 406.402 0.979 20 0 HCADMN COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3cccc4c3CNC4=O)n2)cc1 ZINC000498588929 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HCADMN NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498676362 1078803488 /nfs/dbraw/zinc/80/34/88/1078803488.db2.gz OVUDAWBHOZNXHO-ZDUSSCGKSA-N 0 1 412.450 0.891 20 0 HCADMN COCCc1cc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n(C)n1 ZINC000498678077 1078815580 /nfs/dbraw/zinc/81/55/80/1078815580.db2.gz BCFWACAFRYEDRQ-CYBMUJFWSA-N 0 1 401.471 0.949 20 0 HCADMN COCCc1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n(C)n1 ZINC000498678078 1078815623 /nfs/dbraw/zinc/81/56/23/1078815623.db2.gz BCFWACAFRYEDRQ-ZDUSSCGKSA-N 0 1 401.471 0.949 20 0 HCADMN CCCCCC(=O)NC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000498689013 1078822817 /nfs/dbraw/zinc/82/28/17/1078822817.db2.gz QWOZSIXQZLUAFG-UHFFFAOYSA-N 0 1 404.515 0.595 20 0 HCADMN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498695065 1078820094 /nfs/dbraw/zinc/82/00/94/1078820094.db2.gz MIJOGMXUJHFPPO-GFCCVEGCSA-N 0 1 418.479 0.674 20 0 HCADMN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498695066 1078820119 /nfs/dbraw/zinc/82/01/19/1078820119.db2.gz MIJOGMXUJHFPPO-LBPRGKRZSA-N 0 1 418.479 0.674 20 0 HCADMN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000498695465 1078828610 /nfs/dbraw/zinc/82/86/10/1078828610.db2.gz NMEIUOCNRLMZNR-CYBMUJFWSA-N 0 1 414.470 0.312 20 0 HCADMN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000498695466 1078828648 /nfs/dbraw/zinc/82/86/48/1078828648.db2.gz NMEIUOCNRLMZNR-ZDUSSCGKSA-N 0 1 414.470 0.312 20 0 HCADMN NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000498699615 1078825503 /nfs/dbraw/zinc/82/55/03/1078825503.db2.gz AYLUCXCNUARHLQ-CYBMUJFWSA-N 0 1 412.450 0.891 20 0 HCADMN NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000498699617 1078825572 /nfs/dbraw/zinc/82/55/72/1078825572.db2.gz AYLUCXCNUARHLQ-ZDUSSCGKSA-N 0 1 412.450 0.891 20 0 HCADMN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000498702369 1078833820 /nfs/dbraw/zinc/83/38/20/1078833820.db2.gz PGNIDTUDPCMYHB-GFCCVEGCSA-N 0 1 418.479 0.825 20 0 HCADMN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000498702370 1078833813 /nfs/dbraw/zinc/83/38/13/1078833813.db2.gz PGNIDTUDPCMYHB-LBPRGKRZSA-N 0 1 418.479 0.825 20 0 HCADMN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C)CC[C@@H]3C)c2)CC1 ZINC000498705688 1078835915 /nfs/dbraw/zinc/83/59/15/1078835915.db2.gz JBFCGENQBDRQPB-INIZCTEOSA-N 0 1 422.551 0.706 20 0 HCADMN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C)CC[C@H]3C)c2)CC1 ZINC000498705689 1078836031 /nfs/dbraw/zinc/83/60/31/1078836031.db2.gz JBFCGENQBDRQPB-MRXNPFEDSA-N 0 1 422.551 0.706 20 0 HCADMN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C)CC[C@H]3C)CC2)c1 ZINC000498715049 1078838212 /nfs/dbraw/zinc/83/82/12/1078838212.db2.gz IEUJAZZTEASVII-GOSISDBHSA-N 0 1 408.568 0.999 20 0 HCADMN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(C)CC[C@@H]3C)CC2)c1 ZINC000498715050 1078838233 /nfs/dbraw/zinc/83/82/33/1078838233.db2.gz IEUJAZZTEASVII-SFHVURJKSA-N 0 1 408.568 0.999 20 0 HCADMN COc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000498716229 1078838917 /nfs/dbraw/zinc/83/89/17/1078838917.db2.gz KLKGTSMPDLXTMZ-HNNXBMFYSA-N 0 1 411.524 0.882 20 0 HCADMN COc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000498716232 1078838763 /nfs/dbraw/zinc/83/87/63/1078838763.db2.gz KLKGTSMPDLXTMZ-OAHLLOKOSA-N 0 1 411.524 0.882 20 0 HCADMN C[C@H]1CCN(C)CCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000498718408 1078839552 /nfs/dbraw/zinc/83/95/52/1078839552.db2.gz CISUHAAVBRKLJE-AWEZNQCLSA-N 0 1 401.554 0.999 20 0 HCADMN C[C@@H]1CCN(C)CCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000498718409 1078839595 /nfs/dbraw/zinc/83/95/95/1078839595.db2.gz CISUHAAVBRKLJE-CQSZACIVSA-N 0 1 401.554 0.999 20 0 HCADMN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)CC[C@@H]3C)cc2)CC1 ZINC000498725065 1078842340 /nfs/dbraw/zinc/84/23/40/1078842340.db2.gz GEBGAXMWYVCIPE-INIZCTEOSA-N 0 1 422.551 0.706 20 0 HCADMN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)CC[C@H]3C)cc2)CC1 ZINC000498725066 1078842382 /nfs/dbraw/zinc/84/23/82/1078842382.db2.gz GEBGAXMWYVCIPE-MRXNPFEDSA-N 0 1 422.551 0.706 20 0 HCADMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000498732838 1078843879 /nfs/dbraw/zinc/84/38/79/1078843879.db2.gz BKXLGRZGMRSZEM-HNNXBMFYSA-N 0 1 411.524 0.882 20 0 HCADMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)CC[C@H]1C ZINC000498732840 1078843916 /nfs/dbraw/zinc/84/39/16/1078843916.db2.gz BKXLGRZGMRSZEM-OAHLLOKOSA-N 0 1 411.524 0.882 20 0 HCADMN COc1cc(C(=O)NCC(=O)NCC(F)(F)F)cc(NS(C)(=O)=O)c1OC ZINC000498735043 1078844249 /nfs/dbraw/zinc/84/42/49/1078844249.db2.gz WWJQQRDOVTUXKC-UHFFFAOYSA-N 0 1 413.374 0.484 20 0 HCADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000498737769 1078848515 /nfs/dbraw/zinc/84/85/15/1078848515.db2.gz OFLJWDNKIRNDBM-INIZCTEOSA-N 0 1 424.567 0.940 20 0 HCADMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000498737775 1078848485 /nfs/dbraw/zinc/84/84/85/1078848485.db2.gz OFLJWDNKIRNDBM-MRXNPFEDSA-N 0 1 424.567 0.940 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000498746785 1078854895 /nfs/dbraw/zinc/85/48/95/1078854895.db2.gz HRMASAUTDMQLNJ-INIZCTEOSA-N 0 1 403.483 0.642 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000498746786 1078854840 /nfs/dbraw/zinc/85/48/40/1078854840.db2.gz HRMASAUTDMQLNJ-MRXNPFEDSA-N 0 1 403.483 0.642 20 0 HCADMN CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)N[C@@H]2CCN(CCOC)C2)n1 ZINC000498753288 1078858619 /nfs/dbraw/zinc/85/86/19/1078858619.db2.gz LYSCGPLKXHSXHZ-GFCCVEGCSA-N 0 1 412.512 0.759 20 0 HCADMN CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)N[C@H]2CCN(CCOC)C2)n1 ZINC000498753289 1078858676 /nfs/dbraw/zinc/85/86/76/1078858676.db2.gz LYSCGPLKXHSXHZ-LBPRGKRZSA-N 0 1 412.512 0.759 20 0 HCADMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1 ZINC000498753292 1078858651 /nfs/dbraw/zinc/85/86/51/1078858651.db2.gz MATCQVAXFHYNPV-CYBMUJFWSA-N 0 1 412.437 0.577 20 0 HCADMN COCCN1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1 ZINC000498753293 1078858716 /nfs/dbraw/zinc/85/87/16/1078858716.db2.gz MATCQVAXFHYNPV-ZDUSSCGKSA-N 0 1 412.437 0.577 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000498755273 1078859686 /nfs/dbraw/zinc/85/96/86/1078859686.db2.gz XSROXJQVKSHDDR-UHFFFAOYSA-N 0 1 410.496 0.162 20 0 HCADMN COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1 ZINC000498755652 1078859337 /nfs/dbraw/zinc/85/93/37/1078859337.db2.gz ZOYUGRXZADQWCF-AWEZNQCLSA-N 0 1 407.446 0.521 20 0 HCADMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1 ZINC000498755653 1078859396 /nfs/dbraw/zinc/85/93/96/1078859396.db2.gz ZOYUGRXZADQWCF-CQSZACIVSA-N 0 1 407.446 0.521 20 0 HCADMN COCCN1CCCN(C(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)CC1 ZINC000498765356 1078860084 /nfs/dbraw/zinc/86/00/84/1078860084.db2.gz IRQPHBRLFWMXFX-UHFFFAOYSA-N 0 1 405.495 0.955 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)c1 ZINC000498769084 1078861796 /nfs/dbraw/zinc/86/17/96/1078861796.db2.gz QKHINXXLZUEPKL-INIZCTEOSA-N 0 1 419.526 0.742 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)c1 ZINC000498769085 1078861872 /nfs/dbraw/zinc/86/18/72/1078861872.db2.gz QKHINXXLZUEPKL-MRXNPFEDSA-N 0 1 419.526 0.742 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1 ZINC000498779553 1078868432 /nfs/dbraw/zinc/86/84/32/1078868432.db2.gz FHMAVOKYELSCDI-CYBMUJFWSA-N 0 1 411.453 0.102 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1 ZINC000498779554 1078868486 /nfs/dbraw/zinc/86/84/86/1078868486.db2.gz FHMAVOKYELSCDI-ZDUSSCGKSA-N 0 1 411.453 0.102 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC000498781314 1078876316 /nfs/dbraw/zinc/87/63/16/1078876316.db2.gz LXCXJTSIVIUCLA-CYBMUJFWSA-N 0 1 412.512 0.455 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000498781515 1078875726 /nfs/dbraw/zinc/87/57/26/1078875726.db2.gz LXCXJTSIVIUCLA-ZDUSSCGKSA-N 0 1 412.512 0.455 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1 ZINC000498784076 1078876909 /nfs/dbraw/zinc/87/69/09/1078876909.db2.gz BUCPQURWDJRYQR-AWEZNQCLSA-N 0 1 406.462 0.046 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1 ZINC000498784087 1078876980 /nfs/dbraw/zinc/87/69/80/1078876980.db2.gz BUCPQURWDJRYQR-CQSZACIVSA-N 0 1 406.462 0.046 20 0 HCADMN CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3c(C)c(C(F)(F)F)nn3C)C2)CC1 ZINC000498784554 1078877877 /nfs/dbraw/zinc/87/78/77/1078877877.db2.gz IXXJFUGUDXBLJB-CYBMUJFWSA-N 0 1 416.448 0.924 20 0 HCADMN CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3c(C)c(C(F)(F)F)nn3C)C2)CC1 ZINC000498784559 1078877896 /nfs/dbraw/zinc/87/78/96/1078877896.db2.gz IXXJFUGUDXBLJB-ZDUSSCGKSA-N 0 1 416.448 0.924 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)C1 ZINC000498785835 1078878804 /nfs/dbraw/zinc/87/88/04/1078878804.db2.gz YBLWYEGBWKQQJT-HNNXBMFYSA-N 0 1 408.474 0.684 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)C1 ZINC000498785836 1078878839 /nfs/dbraw/zinc/87/88/39/1078878839.db2.gz YBLWYEGBWKQQJT-OAHLLOKOSA-N 0 1 408.474 0.684 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NC)C2)c1 ZINC000498787934 1078880067 /nfs/dbraw/zinc/88/00/67/1078880067.db2.gz PVWJBKNYPIAMRH-HNNXBMFYSA-N 0 1 417.510 0.890 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)c1 ZINC000498787935 1078880125 /nfs/dbraw/zinc/88/01/25/1078880125.db2.gz PVWJBKNYPIAMRH-OAHLLOKOSA-N 0 1 417.510 0.890 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000498787938 1078880115 /nfs/dbraw/zinc/88/01/15/1078880115.db2.gz PWZAMKWSNAEEIT-LLVKDONJSA-N 0 1 421.299 0.693 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000498787939 1078880086 /nfs/dbraw/zinc/88/00/86/1078880086.db2.gz PWZAMKWSNAEEIT-NSHDSACASA-N 0 1 421.299 0.693 20 0 HCADMN CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)c1 ZINC000498789217 1078881412 /nfs/dbraw/zinc/88/14/12/1078881412.db2.gz VWUBGXDYMILDSW-IBGZPJMESA-N 0 1 415.538 0.955 20 0 HCADMN CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c1 ZINC000498789218 1078881359 /nfs/dbraw/zinc/88/13/59/1078881359.db2.gz VWUBGXDYMILDSW-LJQANCHMSA-N 0 1 415.538 0.955 20 0 HCADMN COCCCOc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1OC ZINC000498790550 1078883189 /nfs/dbraw/zinc/88/31/89/1078883189.db2.gz SVNYYKXZNTWRCW-INIZCTEOSA-N 0 1 408.499 0.411 20 0 HCADMN COCCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1OC ZINC000498790553 1078883221 /nfs/dbraw/zinc/88/32/21/1078883221.db2.gz SVNYYKXZNTWRCW-MRXNPFEDSA-N 0 1 408.499 0.411 20 0 HCADMN CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000498791146 1078882867 /nfs/dbraw/zinc/88/28/67/1078882867.db2.gz UZZUIJXQXBZRLL-GOSISDBHSA-N 0 1 418.542 0.267 20 0 HCADMN CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 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QUSZEQRRWPPIHE-LSDHHAIUSA-N 0 1 410.540 0.608 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000499076699 1079032930 /nfs/dbraw/zinc/03/29/30/1079032930.db2.gz NBKINCNSYFFAAR-UHFFFAOYSA-N 0 1 415.494 0.739 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)c1 ZINC000499085055 1079035987 /nfs/dbraw/zinc/03/59/87/1079035987.db2.gz LVFBCWWIKASDDZ-INIZCTEOSA-N 0 1 403.483 0.642 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)c1 ZINC000499085056 1079035912 /nfs/dbraw/zinc/03/59/12/1079035912.db2.gz LVFBCWWIKASDDZ-MRXNPFEDSA-N 0 1 403.483 0.642 20 0 HCADMN NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000499099042 1079037943 /nfs/dbraw/zinc/03/79/43/1079037943.db2.gz FIAHCJQMZNWAQT-GFCCVEGCSA-N 0 1 418.479 0.674 20 0 HCADMN NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000499099044 1079037846 /nfs/dbraw/zinc/03/78/46/1079037846.db2.gz FIAHCJQMZNWAQT-LBPRGKRZSA-N 0 1 418.479 0.674 20 0 HCADMN 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415.494 0.739 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000499218497 1079098039 /nfs/dbraw/zinc/09/80/39/1079098039.db2.gz YFHNJEWXKZSDDZ-DLBZAZTESA-N 0 1 417.510 0.936 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)c1 ZINC000499218499 1079097969 /nfs/dbraw/zinc/09/79/69/1079097969.db2.gz YFHNJEWXKZSDDZ-IAGOWNOFSA-N 0 1 417.510 0.936 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000499218501 1079098085 /nfs/dbraw/zinc/09/80/85/1079098085.db2.gz YFHNJEWXKZSDDZ-IRXDYDNUSA-N 0 1 417.510 0.936 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)c1 ZINC000499218503 1079098525 /nfs/dbraw/zinc/09/85/25/1079098525.db2.gz YFHNJEWXKZSDDZ-SJORKVTESA-N 0 1 417.510 0.936 20 0 HCADMN CCC[C@H]1CN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCN1CCOC ZINC000499227915 1079106303 /nfs/dbraw/zinc/10/63/03/1079106303.db2.gz JSAOEHSTUGWXTG-HNNXBMFYSA-N 0 1 418.498 0.597 20 0 HCADMN 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ZINC000499295665 1079135483 /nfs/dbraw/zinc/13/54/83/1079135483.db2.gz PROJFMCNFXMXDK-LSDHHAIUSA-N 0 1 404.492 0.980 20 0 HCADMN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(NC(=O)CO)c1 ZINC000499296990 1079136050 /nfs/dbraw/zinc/13/60/50/1079136050.db2.gz VWMMJVJOAPCZRM-UHFFFAOYSA-N 0 1 413.839 0.936 20 0 HCADMN COCc1csc(NC(=O)C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000499297638 1079136041 /nfs/dbraw/zinc/13/60/41/1079136041.db2.gz YYKYOXNLSLVDCL-CVEARBPZSA-N 0 1 404.492 0.980 20 0 HCADMN COCc1csc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000499297639 1079136053 /nfs/dbraw/zinc/13/60/53/1079136053.db2.gz YYKYOXNLSLVDCL-HOTGVXAUSA-N 0 1 404.492 0.980 20 0 HCADMN COCc1csc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000499297640 1079136045 /nfs/dbraw/zinc/13/60/45/1079136045.db2.gz YYKYOXNLSLVDCL-HZPDHXFCSA-N 0 1 404.492 0.980 20 0 HCADMN COCc1csc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000499297641 1079136036 /nfs/dbraw/zinc/13/60/36/1079136036.db2.gz 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NIHUXNHLUAYGJS-CJNGLKHVSA-N 0 1 419.482 0.007 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000499420842 1080347153 /nfs/dbraw/zinc/34/71/53/1080347153.db2.gz NIHUXNHLUAYGJS-CZUORRHYSA-N 0 1 419.482 0.007 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)=O)C2)c1 ZINC000499424132 1080354849 /nfs/dbraw/zinc/35/48/49/1080354849.db2.gz UFFXVEFSRAVFNF-KRWDZBQOSA-N 0 1 403.483 0.642 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)=O)C2)c1 ZINC000499424133 1080354990 /nfs/dbraw/zinc/35/49/90/1080354990.db2.gz UFFXVEFSRAVFNF-QGZVFWFLSA-N 0 1 403.483 0.642 20 0 HCADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)n[nH]1 ZINC000499430357 1080378886 /nfs/dbraw/zinc/37/88/86/1080378886.db2.gz ITDSCJYNBGVKQN-JTQLQIEISA-N 0 1 411.459 0.793 20 0 HCADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)n[nH]1 ZINC000499430358 1080379156 /nfs/dbraw/zinc/37/91/56/1080379156.db2.gz ITDSCJYNBGVKQN-SNVBAGLBSA-N 0 1 411.459 0.793 20 0 HCADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 ZINC000499433603 1080383021 /nfs/dbraw/zinc/38/30/21/1080383021.db2.gz RIWZSFMPDNDQLY-INIZCTEOSA-N 0 1 408.455 0.831 20 0 HCADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 ZINC000499433604 1080382986 /nfs/dbraw/zinc/38/29/86/1080382986.db2.gz RIWZSFMPDNDQLY-MRXNPFEDSA-N 0 1 408.455 0.831 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCn3nc(C)nc3C2)c1 ZINC000499433730 1080381873 /nfs/dbraw/zinc/38/18/73/1080381873.db2.gz CTJLAMVHAHEWGP-UHFFFAOYSA-N 0 1 413.482 0.848 20 0 HCADMN CCC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CCN1CCOC ZINC000499443804 1080388373 /nfs/dbraw/zinc/38/83/73/1080388373.db2.gz QJABLNGJKQHZPR-CABCVRRESA-N 0 1 401.533 0.046 20 0 HCADMN CCC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CCN1CCOC ZINC000499443806 1080388746 /nfs/dbraw/zinc/38/87/46/1080388746.db2.gz QJABLNGJKQHZPR-GJZGRUSLSA-N 0 1 401.533 0.046 20 0 HCADMN CCC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CCN1CCOC ZINC000499443808 1080388590 /nfs/dbraw/zinc/38/85/90/1080388590.db2.gz QJABLNGJKQHZPR-HUUCEWRRSA-N 0 1 401.533 0.046 20 0 HCADMN CCC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CCN1CCOC ZINC000499443810 1080388258 /nfs/dbraw/zinc/38/82/58/1080388258.db2.gz QJABLNGJKQHZPR-LSDHHAIUSA-N 0 1 401.533 0.046 20 0 HCADMN CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CCN1CCOC ZINC000499452360 1080400804 /nfs/dbraw/zinc/40/08/04/1080400804.db2.gz CMHXFXJTLJMZLW-INIZCTEOSA-N 0 1 415.560 0.356 20 0 HCADMN CCC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CCN1CCOC ZINC000499452361 1080400954 /nfs/dbraw/zinc/40/09/54/1080400954.db2.gz CMHXFXJTLJMZLW-MRXNPFEDSA-N 0 1 415.560 0.356 20 0 HCADMN CCC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CCN1CCOC ZINC000499457924 1080410410 /nfs/dbraw/zinc/41/04/10/1080410410.db2.gz OXHNUYCIBIFYNQ-GOEBONIOSA-N 0 1 416.544 0.918 20 0 HCADMN CCC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CCN1CCOC ZINC000499457933 1080410016 /nfs/dbraw/zinc/41/00/16/1080410016.db2.gz 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CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1CCOC ZINC000499463238 1080414157 /nfs/dbraw/zinc/41/41/57/1080414157.db2.gz OFWUDGNEYHJCLM-RTBURBONSA-N 0 1 410.559 0.126 20 0 HCADMN CCNC(=O)[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(C)C ZINC000499481657 1080463964 /nfs/dbraw/zinc/46/39/64/1080463964.db2.gz OLBXEHXUFJODFI-SFHVURJKSA-N 0 1 402.451 0.772 20 0 HCADMN CCNC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(C)C ZINC000499482464 1080485564 /nfs/dbraw/zinc/48/55/64/1080485564.db2.gz AHUJZURFOKOIEW-AWEZNQCLSA-N 0 1 401.485 0.966 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000499508315 1080546942 /nfs/dbraw/zinc/54/69/42/1080546942.db2.gz HINJDLDYUSXKSA-NRFANRHFSA-N 0 1 418.494 0.923 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000499508317 1080546764 /nfs/dbraw/zinc/54/67/64/1080546764.db2.gz HINJDLDYUSXKSA-OAQYLSRUSA-N 0 1 418.494 0.923 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)c1 ZINC000499526138 1080573257 /nfs/dbraw/zinc/57/32/57/1080573257.db2.gz CKZBVSHKUXNLJS-INIZCTEOSA-N 0 1 418.498 0.435 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)c1 ZINC000499526141 1080573313 /nfs/dbraw/zinc/57/33/13/1080573313.db2.gz CKZBVSHKUXNLJS-MRXNPFEDSA-N 0 1 418.498 0.435 20 0 HCADMN Cc1ccc(S(=O)(=O)NCCN2CCN(CCN3CCOC[C@@H]3C)CC2)cc1 ZINC000499536414 1080596447 /nfs/dbraw/zinc/59/64/47/1080596447.db2.gz CKHNZMBRYDWIEC-IBGZPJMESA-N 0 1 410.584 0.612 20 0 HCADMN Cc1ccc(S(=O)(=O)NCCN2CCN(CCN3CCOC[C@H]3C)CC2)cc1 ZINC000499536417 1080596370 /nfs/dbraw/zinc/59/63/70/1080596370.db2.gz CKHNZMBRYDWIEC-LJQANCHMSA-N 0 1 410.584 0.612 20 0 HCADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)C(=O)Nc1cccc2c1CNC2=O ZINC000499564447 1080688965 /nfs/dbraw/zinc/68/89/65/1080688965.db2.gz RXCVMRCHOBURSS-UHFFFAOYSA-N 0 1 406.402 0.882 20 0 HCADMN CN1CCN(c2cc(CNC(=O)NCc3ccc(S(N)(=O)=O)s3)ccn2)CC1 ZINC000499599260 1080773658 /nfs/dbraw/zinc/77/36/58/1080773658.db2.gz JKCSTOFLFCIZMV-UHFFFAOYSA-N 0 1 424.552 0.542 20 0 HCADMN CN1CCN(c2cc(CNC(=O)N3CCCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000499600418 1080777048 /nfs/dbraw/zinc/77/70/48/1080777048.db2.gz OAQHZVVVOOYXLX-UHFFFAOYSA-N 0 1 410.544 0.010 20 0 HCADMN CCS(=O)(=O)NC1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000499600420 1080777000 /nfs/dbraw/zinc/77/70/00/1080777000.db2.gz ODCLKRITUXTNPP-UHFFFAOYSA-N 0 1 424.571 0.447 20 0 HCADMN CN1CCN(c2cc(CNC(=O)N3CCC[C@H](CS(C)(=O)=O)C3)ccn2)CC1 ZINC000499600960 1080776459 /nfs/dbraw/zinc/77/64/59/1080776459.db2.gz RZGDIISFWZVUOF-KRWDZBQOSA-N 0 1 409.556 0.800 20 0 HCADMN CN1CCN(c2cc(CNC(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)ccn2)CC1 ZINC000499600961 1080776623 /nfs/dbraw/zinc/77/66/23/1080776623.db2.gz RZGDIISFWZVUOF-QGZVFWFLSA-N 0 1 409.556 0.800 20 0 HCADMN CN1CCN(c2cc(CNC(=O)N3CCN(C(=O)c4ccccn4)CC3)ccn2)CC1 ZINC000499600975 1080776548 /nfs/dbraw/zinc/77/65/48/1080776548.db2.gz SJPBHSKUCMMREU-UHFFFAOYSA-N 0 1 423.521 0.896 20 0 HCADMN CN1CCN(c2cc(CNC(=O)N3CCC(C(=O)NCCCO)CC3)ccn2)CC1 ZINC000499602540 1080781402 /nfs/dbraw/zinc/78/14/02/1080781402.db2.gz NQRVPBRRTBJXDN-UHFFFAOYSA-N 0 1 418.542 0.254 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@]2(OC)CCOC2)c1 ZINC000499603301 1080782791 /nfs/dbraw/zinc/78/27/91/1080782791.db2.gz HBADWTCOIHEUSQ-FQEVSTJZSA-N 0 1 406.483 0.827 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@]2(OC)CCOC2)c1 ZINC000499603302 1080782882 /nfs/dbraw/zinc/78/28/82/1080782882.db2.gz HBADWTCOIHEUSQ-HXUWFJFHSA-N 0 1 406.483 0.827 20 0 HCADMN COCC(=O)N1CCC(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000499608566 1080790970 /nfs/dbraw/zinc/79/09/70/1080790970.db2.gz VGRBUQKCBLMDNP-UHFFFAOYSA-N 0 1 404.515 0.270 20 0 HCADMN C[C@H](CS(C)(=O)=O)N(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000499611841 1080793228 /nfs/dbraw/zinc/79/32/28/1080793228.db2.gz FXZDEAYXWDHNNB-GFCCVEGCSA-N 0 1 405.476 0.682 20 0 HCADMN C[C@@H](CS(C)(=O)=O)N(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000499611843 1080793244 /nfs/dbraw/zinc/79/32/44/1080793244.db2.gz FXZDEAYXWDHNNB-LBPRGKRZSA-N 0 1 405.476 0.682 20 0 HCADMN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000499623458 1080810465 /nfs/dbraw/zinc/81/04/65/1080810465.db2.gz CPGIDRKQAJVGGN-UHFFFAOYSA-N 0 1 408.524 0.962 20 0 HCADMN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CCN(C2CCC2)CC1 ZINC000499623615 1080810378 /nfs/dbraw/zinc/81/03/78/1080810378.db2.gz WNJSKUOZTQXPBE-BPQIPLTHSA-N 0 1 411.568 0.793 20 0 HCADMN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCN(C2CCC2)CC1 ZINC000499623617 1080810423 /nfs/dbraw/zinc/81/04/23/1080810423.db2.gz WNJSKUOZTQXPBE-KBAYOESNSA-N 0 1 411.568 0.793 20 0 HCADMN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCN(C2CCC2)CC1 ZINC000499623619 1080810490 /nfs/dbraw/zinc/81/04/90/1080810490.db2.gz WNJSKUOZTQXPBE-NJAFHUGGSA-N 0 1 411.568 0.793 20 0 HCADMN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2CCC2)CC1 ZINC000499623621 1080810474 /nfs/dbraw/zinc/81/04/74/1080810474.db2.gz 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VDHCXMJNJONGCQ-BZSNNMDCSA-N 0 1 410.540 0.345 20 0 HCADMN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)C1 ZINC000534111623 1074558425 /nfs/dbraw/zinc/55/84/25/1074558425.db2.gz VDHCXMJNJONGCQ-KSZLIROESA-N 0 1 410.540 0.345 20 0 HCADMN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)C1 ZINC000534111624 1074558500 /nfs/dbraw/zinc/55/85/00/1074558500.db2.gz VDHCXMJNJONGCQ-OKZBNKHCSA-N 0 1 410.540 0.345 20 0 HCADMN CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)C1 ZINC000534111625 1074558690 /nfs/dbraw/zinc/55/86/90/1074558690.db2.gz VDHCXMJNJONGCQ-RCCFBDPRSA-N 0 1 410.540 0.345 20 0 HCADMN COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 ZINC000534115099 1074559023 /nfs/dbraw/zinc/55/90/23/1074559023.db2.gz CBJWQRSHUZPSBG-UHFFFAOYSA-N 0 1 417.447 0.839 20 0 HCADMN NC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(c4ccc5nncn5n4)CC3)cc21 ZINC000534115290 1074559559 /nfs/dbraw/zinc/55/95/59/1074559559.db2.gz MMJYUBWELALZKF-UHFFFAOYSA-N 0 1 405.422 0.955 20 0 HCADMN Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cn1C ZINC000534115449 1074559490 /nfs/dbraw/zinc/55/94/90/1074559490.db2.gz ZKSDVHPLQVEBPV-UHFFFAOYSA-N 0 1 405.440 0.011 20 0 HCADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117993 1074561319 /nfs/dbraw/zinc/56/13/19/1074561319.db2.gz IRUAQMBISJAEDA-CVEARBPZSA-N 0 1 407.421 0.838 20 0 HCADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117997 1074561261 /nfs/dbraw/zinc/56/12/61/1074561261.db2.gz IRUAQMBISJAEDA-HOTGVXAUSA-N 0 1 407.421 0.838 20 0 HCADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117998 1074561195 /nfs/dbraw/zinc/56/11/95/1074561195.db2.gz IRUAQMBISJAEDA-HZPDHXFCSA-N 0 1 407.421 0.838 20 0 HCADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117999 1074561302 /nfs/dbraw/zinc/56/13/02/1074561302.db2.gz IRUAQMBISJAEDA-JKSUJKDBSA-N 0 1 407.421 0.838 20 0 HCADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)cc21 ZINC000534118504 1074562799 /nfs/dbraw/zinc/56/27/99/1074562799.db2.gz MCEBIMCAFYASBN-GFCCVEGCSA-N 0 1 412.450 0.461 20 0 HCADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)cc21 ZINC000534118505 1074562601 /nfs/dbraw/zinc/56/26/01/1074562601.db2.gz MCEBIMCAFYASBN-LBPRGKRZSA-N 0 1 412.450 0.461 20 0 HCADMN C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118602 1074561609 /nfs/dbraw/zinc/56/16/09/1074561609.db2.gz TTWUFBIGQCGRPK-CABCVRRESA-N 0 1 416.478 0.690 20 0 HCADMN C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118603 1074562066 /nfs/dbraw/zinc/56/20/66/1074562066.db2.gz TTWUFBIGQCGRPK-GJZGRUSLSA-N 0 1 416.478 0.690 20 0 HCADMN C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118604 1074561929 /nfs/dbraw/zinc/56/19/29/1074561929.db2.gz TTWUFBIGQCGRPK-HUUCEWRRSA-N 0 1 416.478 0.690 20 0 HCADMN C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118605 1074562426 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FRBLIESIEFEZDD-HZPDHXFCSA-N 0 1 414.437 0.615 20 0 HCADMN NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000534118731 1074561946 /nfs/dbraw/zinc/56/19/46/1074561946.db2.gz FRBLIESIEFEZDD-JKSUJKDBSA-N 0 1 414.437 0.615 20 0 HCADMN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534118741 1074562039 /nfs/dbraw/zinc/56/20/39/1074562039.db2.gz FUWOSOYCLXDGCP-CYBMUJFWSA-N 0 1 410.438 0.967 20 0 HCADMN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534118742 1074562097 /nfs/dbraw/zinc/56/20/97/1074562097.db2.gz FUWOSOYCLXDGCP-ZDUSSCGKSA-N 0 1 410.438 0.967 20 0 HCADMN CCN(C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@@H](C)CS(=O)(=O)CC ZINC000534119328 1074562570 /nfs/dbraw/zinc/56/25/70/1074562570.db2.gz SMGYDKLKCMIOFQ-JTQLQIEISA-N 0 1 409.468 0.272 20 0 HCADMN CCN(C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@H](C)CS(=O)(=O)CC ZINC000534119332 1074562462 /nfs/dbraw/zinc/56/24/62/1074562462.db2.gz SMGYDKLKCMIOFQ-SNVBAGLBSA-N 0 1 409.468 0.272 20 0 HCADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)cc21 ZINC000534119402 1074562636 /nfs/dbraw/zinc/56/26/36/1074562636.db2.gz UBILXFSLHZQZSX-CYBMUJFWSA-N 0 1 413.415 0.245 20 0 HCADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N[C@H]3CS(=O)(=O)c4ccccc43)cc21 ZINC000534119407 1074562770 /nfs/dbraw/zinc/56/27/70/1074562770.db2.gz UBILXFSLHZQZSX-ZDUSSCGKSA-N 0 1 413.415 0.245 20 0 HCADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCCNC(=O)c3ccccc3F)cc21 ZINC000534120358 1074563815 /nfs/dbraw/zinc/56/38/15/1074563815.db2.gz FMPRQKVJYLNARY-UHFFFAOYSA-N 0 1 412.381 0.286 20 0 HCADMN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 ZINC000534120418 1074563365 /nfs/dbraw/zinc/56/33/65/1074563365.db2.gz GRYRTOGGIIPZDG-JTQLQIEISA-N 0 1 401.423 0.791 20 0 HCADMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 ZINC000534120419 1074563109 /nfs/dbraw/zinc/56/31/09/1074563109.db2.gz GRYRTOGGIIPZDG-SNVBAGLBSA-N 0 1 401.423 0.791 20 0 HCADMN 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C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534121195 1074564745 /nfs/dbraw/zinc/56/47/45/1074564745.db2.gz UWYUVCQUPONOLL-ZDUSSCGKSA-N 0 1 421.461 0.901 20 0 HCADMN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534121253 1074564722 /nfs/dbraw/zinc/56/47/22/1074564722.db2.gz VQWNICYSNMUAJO-AWEZNQCLSA-N 0 1 400.439 0.460 20 0 HCADMN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534121254 1074564770 /nfs/dbraw/zinc/56/47/70/1074564770.db2.gz VQWNICYSNMUAJO-CQSZACIVSA-N 0 1 400.439 0.460 20 0 HCADMN CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCCC1 ZINC000534121420 1074563970 /nfs/dbraw/zinc/56/39/70/1074563970.db2.gz MNODUHNOJVLMBY-UHFFFAOYSA-N 0 1 400.439 0.365 20 0 HCADMN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534121445 1074564063 /nfs/dbraw/zinc/56/40/63/1074564063.db2.gz OOYDVHNABJVNOI-GDLZYMKVSA-N 0 1 413.459 0.996 20 0 HCADMN 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O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534866290 1074723162 /nfs/dbraw/zinc/72/31/62/1074723162.db2.gz QYNVWMWIQLQHDM-DLBZAZTESA-N 0 1 408.458 0.854 20 0 HCADMN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534866291 1074722912 /nfs/dbraw/zinc/72/29/12/1074722912.db2.gz QYNVWMWIQLQHDM-IAGOWNOFSA-N 0 1 408.458 0.854 20 0 HCADMN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534866292 1074723005 /nfs/dbraw/zinc/72/30/05/1074723005.db2.gz QYNVWMWIQLQHDM-IRXDYDNUSA-N 0 1 408.458 0.854 20 0 HCADMN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534866293 1074723222 /nfs/dbraw/zinc/72/32/22/1074723222.db2.gz QYNVWMWIQLQHDM-SJORKVTESA-N 0 1 408.458 0.854 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)CCN1CCCC1=O ZINC000534869561 1074723562 /nfs/dbraw/zinc/72/35/62/1074723562.db2.gz XKRWXCWDMKLSDG-UHFFFAOYSA-N 0 1 419.525 0.700 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@](C)(O)CSC ZINC000534871157 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1 419.525 0.744 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H](O)COCC1CC1 ZINC000534873291 1074724510 /nfs/dbraw/zinc/72/45/10/1074724510.db2.gz JFPFVQJVEDPORL-CYBMUJFWSA-N 0 1 422.525 0.523 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H](O)COCC1CC1 ZINC000534873292 1074724538 /nfs/dbraw/zinc/72/45/38/1074724538.db2.gz JFPFVQJVEDPORL-ZDUSSCGKSA-N 0 1 422.525 0.523 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCCNC(=O)C(C)C ZINC000534873313 1074724409 /nfs/dbraw/zinc/72/44/09/1074724409.db2.gz JMWKQRYHIWAHSU-UHFFFAOYSA-N 0 1 407.514 0.507 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000534879468 1074729496 /nfs/dbraw/zinc/72/94/96/1074729496.db2.gz LSWUAVKXDNFQSV-NEPJUHHUSA-N 0 1 419.525 0.731 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000534879470 1074729444 /nfs/dbraw/zinc/72/94/44/1074729444.db2.gz LSWUAVKXDNFQSV-NWDGAFQWSA-N 0 1 419.525 0.731 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000534879472 1074729459 /nfs/dbraw/zinc/72/94/59/1074729459.db2.gz LSWUAVKXDNFQSV-VXGBXAGGSA-N 0 1 419.525 0.731 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC1(C(N)=O)CCCCC1 ZINC000534879894 1074729523 /nfs/dbraw/zinc/72/95/23/1074729523.db2.gz XPWIVGWFRMUHMF-UHFFFAOYSA-N 0 1 419.525 0.923 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(CC(N)=O)CC(C)C ZINC000534881632 1074729758 /nfs/dbraw/zinc/72/97/58/1074729758.db2.gz UPBIQOCHVZGNKV-UHFFFAOYSA-N 0 1 407.514 0.589 20 0 HCADMN CCn1cnnc1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000534881831 1074729337 /nfs/dbraw/zinc/72/93/37/1074729337.db2.gz HSGTZSWORBEKGM-UHFFFAOYSA-N 0 1 403.486 0.547 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCCc1nc(C)no1 ZINC000534881914 1074729972 /nfs/dbraw/zinc/72/99/72/1074729972.db2.gz IPNHNKMDNPCVSH-UHFFFAOYSA-N 0 1 404.470 0.669 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCC(=O)N1CCCCC1 ZINC000534882119 1074730289 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20 0 HCADMN CN(C)CCCN(C(=O)Cn1cnc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000534897620 1074729026 /nfs/dbraw/zinc/72/90/26/1074729026.db2.gz RKOLFLLRXNCBFI-KRWDZBQOSA-N 0 1 405.524 0.913 20 0 HCADMN CN(C)CCCN(C(=O)Cn1cnc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000534897621 1074729176 /nfs/dbraw/zinc/72/91/76/1074729176.db2.gz RKOLFLLRXNCBFI-QGZVFWFLSA-N 0 1 405.524 0.913 20 0 HCADMN CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 ZINC000534900147 1074732606 /nfs/dbraw/zinc/73/26/06/1074732606.db2.gz IIWRXMDJJKQPRE-GFCCVEGCSA-N 0 1 419.525 0.746 20 0 HCADMN CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 ZINC000534900148 1074732783 /nfs/dbraw/zinc/73/27/83/1074732783.db2.gz IIWRXMDJJKQPRE-LBPRGKRZSA-N 0 1 419.525 0.746 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)C[C@@H](C)C(=O)NC ZINC000534900394 1074732290 /nfs/dbraw/zinc/73/22/90/1074732290.db2.gz FPHJRXUAAAWFFA-LLVKDONJSA-N 0 1 407.514 0.459 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)C[C@H](C)C(=O)NC ZINC000534900395 1074732400 /nfs/dbraw/zinc/73/24/00/1074732400.db2.gz FPHJRXUAAAWFFA-NSHDSACASA-N 0 1 407.514 0.459 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H](CO)CCSC ZINC000534900621 1074732319 /nfs/dbraw/zinc/73/23/19/1074732319.db2.gz MXPYSVYWALSQGV-LLVKDONJSA-N 0 1 412.555 0.849 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H](CO)CCSC ZINC000534900623 1074732307 /nfs/dbraw/zinc/73/23/07/1074732307.db2.gz MXPYSVYWALSQGV-NSHDSACASA-N 0 1 412.555 0.849 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000534901104 1074732732 /nfs/dbraw/zinc/73/27/32/1074732732.db2.gz PKVPOOLKNPGQCP-UHFFFAOYSA-N 0 1 419.525 0.698 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCCNC(=O)C(C)(C)C ZINC000534901236 1074732767 /nfs/dbraw/zinc/73/27/67/1074732767.db2.gz XEKBCVLUUGGYLT-UHFFFAOYSA-N 0 1 421.541 0.897 20 0 HCADMN CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000534901563 1074732639 /nfs/dbraw/zinc/73/26/39/1074732639.db2.gz RJNXPJDKXJPSSJ-LLVKDONJSA-N 0 1 408.498 0.934 20 0 HCADMN CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000534901564 1074732566 /nfs/dbraw/zinc/73/25/66/1074732566.db2.gz RJNXPJDKXJPSSJ-NSHDSACASA-N 0 1 408.498 0.934 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CC(OCCOC)C1 ZINC000534901694 1074732717 /nfs/dbraw/zinc/73/27/17/1074732717.db2.gz XSXFRYPJQXRKJB-UHFFFAOYSA-N 0 1 408.498 0.493 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@](C)(COC)C(=O)OC ZINC000534901843 1074732627 /nfs/dbraw/zinc/73/26/27/1074732627.db2.gz SLMNARAKOYWFPC-HNNXBMFYSA-N 0 1 424.497 0.313 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@](C)(COC)C(=O)OC ZINC000534901844 1074732584 /nfs/dbraw/zinc/73/25/84/1074732584.db2.gz SLMNARAKOYWFPC-OAHLLOKOSA-N 0 1 424.497 0.313 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000534902998 1074733382 /nfs/dbraw/zinc/73/33/82/1074733382.db2.gz KZEDLCCIALZWTK-CYBMUJFWSA-N 0 1 407.514 0.635 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCc1ccc(C(N)=O)o1 ZINC000534903558 1074733186 /nfs/dbraw/zinc/73/31/86/1074733186.db2.gz RSEKAVIOHDUOKZ-UHFFFAOYSA-N 0 1 417.465 0.627 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@]1(O)CCSC1 ZINC000534903594 1074733127 /nfs/dbraw/zinc/73/31/27/1074733127.db2.gz VAWIWKPSMWLRJJ-AWEZNQCLSA-N 0 1 410.539 0.603 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@]1(O)CCSC1 ZINC000534903595 1074732965 /nfs/dbraw/zinc/73/29/65/1074732965.db2.gz VAWIWKPSMWLRJJ-CQSZACIVSA-N 0 1 410.539 0.603 20 0 HCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1N(C)C ZINC000534907197 1074733874 /nfs/dbraw/zinc/73/38/74/1074733874.db2.gz ICGVZDZWFUXHFQ-CVEARBPZSA-N 0 1 419.594 0.793 20 0 HCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1N(C)C ZINC000534907198 1074733794 /nfs/dbraw/zinc/73/37/94/1074733794.db2.gz ICGVZDZWFUXHFQ-HOTGVXAUSA-N 0 1 419.594 0.793 20 0 HCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1N(C)C ZINC000534907199 1074733956 /nfs/dbraw/zinc/73/39/56/1074733956.db2.gz 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CN1CCN(C)[C@@H](CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000535109025 1074752626 /nfs/dbraw/zinc/75/26/26/1074752626.db2.gz CKQFDFITJFIWCQ-IBGZPJMESA-N 0 1 423.583 0.657 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000535109073 1074752601 /nfs/dbraw/zinc/75/26/01/1074752601.db2.gz CKQFDFITJFIWCQ-LJQANCHMSA-N 0 1 423.583 0.657 20 0 HCADMN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCC[C@H]1O ZINC000535117587 1074755432 /nfs/dbraw/zinc/75/54/32/1074755432.db2.gz VARLXCJLCLKURI-HLIPFELVSA-N 0 1 417.506 0.590 20 0 HCADMN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCC[C@H]1O ZINC000535117595 1074755601 /nfs/dbraw/zinc/75/56/01/1074755601.db2.gz VARLXCJLCLKURI-QKLQHJQFSA-N 0 1 417.506 0.590 20 0 HCADMN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCC[C@@H]1O ZINC000535117598 1074755575 /nfs/dbraw/zinc/75/55/75/1074755575.db2.gz VARLXCJLCLKURI-UWVAXJGDSA-N 0 1 417.506 0.590 20 0 HCADMN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535117601 1074755519 /nfs/dbraw/zinc/75/55/19/1074755519.db2.gz VARLXCJLCLKURI-ZWOKBUDYSA-N 0 1 417.506 0.590 20 0 HCADMN CCN1CCN(c2ccc(CNC(=O)c3coc(S(=O)(=O)N(C)C)c3)cn2)CC1 ZINC000535139997 1074758312 /nfs/dbraw/zinc/75/83/12/1074758312.db2.gz CHFXYDICOWROTM-UHFFFAOYSA-N 0 1 421.523 0.997 20 0 HCADMN CN1CCC([C@H]2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)C2)CC1 ZINC000535156707 1074762910 /nfs/dbraw/zinc/76/29/10/1074762910.db2.gz AXWOURRJRCZNGD-AWEZNQCLSA-N 0 1 401.554 0.906 20 0 HCADMN CN1CCC([C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)C2)CC1 ZINC000535156715 1074762861 /nfs/dbraw/zinc/76/28/61/1074762861.db2.gz AXWOURRJRCZNGD-CQSZACIVSA-N 0 1 401.554 0.906 20 0 HCADMN CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)co1 ZINC000535160856 1074760523 /nfs/dbraw/zinc/76/05/23/1074760523.db2.gz FZKNUVCARMDGQR-UHFFFAOYSA-N 0 1 407.496 0.607 20 0 HCADMN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)n(Cc2ccccc2)n1 ZINC000535167913 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20 0 HCADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000535226797 1074768239 /nfs/dbraw/zinc/76/82/39/1074768239.db2.gz RUNCVIIFVYOMJP-UHFFFAOYSA-N 0 1 416.588 0.737 20 0 HCADMN COc1c(F)cc(C=C(O)Nc2nc(-c3cccnc3)ns2)cc1S(N)(=O)=O ZINC000535229480 1074766476 /nfs/dbraw/zinc/76/64/76/1074766476.db2.gz HEEICKBZUQOIBE-UHFFFAOYSA-N 0 1 423.451 0.998 20 0 HCADMN CC(C)C(=O)NCCCNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000535236557 1074769229 /nfs/dbraw/zinc/76/92/29/1074769229.db2.gz DVOWXQZELCYYKT-UHFFFAOYSA-N 0 1 403.527 0.651 20 0 HCADMN O=C(CN1CCC(OCCO)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000535242384 1074770887 /nfs/dbraw/zinc/77/08/87/1074770887.db2.gz JJTIPPZTAAQDKK-UHFFFAOYSA-N 0 1 403.523 0.739 20 0 HCADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(CCO)CCOCC(F)(F)F ZINC000535251541 1074772347 /nfs/dbraw/zinc/77/23/47/1074772347.db2.gz LFHRNIJLMHIWCC-UHFFFAOYSA-N 0 1 415.372 0.890 20 0 HCADMN CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000535263973 1074774690 /nfs/dbraw/zinc/77/46/90/1074774690.db2.gz HQKXYLYPAUZNRS-GFCCVEGCSA-N 0 1 407.496 0.612 20 0 HCADMN CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000535264014 1074774753 /nfs/dbraw/zinc/77/47/53/1074774753.db2.gz HQKXYLYPAUZNRS-LBPRGKRZSA-N 0 1 407.496 0.612 20 0 HCADMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000535269680 1074776063 /nfs/dbraw/zinc/77/60/63/1074776063.db2.gz JVAWLWAXFILSDA-HNNXBMFYSA-N 0 1 402.474 0.761 20 0 HCADMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000535269685 1074776005 /nfs/dbraw/zinc/77/60/05/1074776005.db2.gz JVAWLWAXFILSDA-OAHLLOKOSA-N 0 1 402.474 0.761 20 0 HCADMN COCCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000535272719 1074776501 /nfs/dbraw/zinc/77/65/01/1074776501.db2.gz UNOCTCXZBLMAIY-KRWDZBQOSA-N 0 1 416.478 0.551 20 0 HCADMN CCN(CC)CCN(C(=O)CNC(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000535274679 1074779944 /nfs/dbraw/zinc/77/99/44/1074779944.db2.gz FMICYEUDASTZJV-GOSISDBHSA-N 0 1 409.552 0.703 20 0 HCADMN CCN(CC)CCN(C(=O)CNC(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000535274689 1074779988 /nfs/dbraw/zinc/77/99/88/1074779988.db2.gz FMICYEUDASTZJV-SFHVURJKSA-N 0 1 409.552 0.703 20 0 HCADMN CCN(CC)CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000535275491 1074780324 /nfs/dbraw/zinc/78/03/24/1074780324.db2.gz MGTHSZIPCVKBNU-GOSISDBHSA-N 0 1 420.539 0.562 20 0 HCADMN CCN(CC)CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000535275507 1074780202 /nfs/dbraw/zinc/78/02/02/1074780202.db2.gz MGTHSZIPCVKBNU-SFHVURJKSA-N 0 1 420.539 0.562 20 0 HCADMN CCN(CC)CCN(C(=O)c1cnc2n(c1=O)CCS2)[C@@H]1CCS(=O)(=O)C1 ZINC000535275794 1074780244 /nfs/dbraw/zinc/78/02/44/1074780244.db2.gz NYKQGKBHVLEEFT-CYBMUJFWSA-N 0 1 414.553 0.320 20 0 HCADMN CCN(CC)CCN(C(=O)c1cnc2n(c1=O)CCS2)[C@H]1CCS(=O)(=O)C1 ZINC000535275822 1074780374 /nfs/dbraw/zinc/78/03/74/1074780374.db2.gz NYKQGKBHVLEEFT-ZDUSSCGKSA-N 0 1 414.553 0.320 20 0 HCADMN CCN(CC)CCN(C(=O)CCn1c(C)csc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535276888 1074780565 /nfs/dbraw/zinc/78/05/65/1074780565.db2.gz PAVSLIFSBKBORE-HNNXBMFYSA-N 0 1 403.570 0.966 20 0 HCADMN CCN(CC)CCN(C(=O)CCn1c(C)csc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535276899 1074780669 /nfs/dbraw/zinc/78/06/69/1074780669.db2.gz PAVSLIFSBKBORE-OAHLLOKOSA-N 0 1 403.570 0.966 20 0 HCADMN CCN(CC)CCN(C(=O)CSc1nnnn1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000535277735 1074781078 /nfs/dbraw/zinc/78/10/78/1074781078.db2.gz VBSNXVFCPMYDEL-AWEZNQCLSA-N 0 1 416.573 0.458 20 0 HCADMN CCN(CC)CCN(C(=O)CSc1nnnn1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000535277742 1074781091 /nfs/dbraw/zinc/78/10/91/1074781091.db2.gz VBSNXVFCPMYDEL-CQSZACIVSA-N 0 1 416.573 0.458 20 0 HCADMN O=C(NCC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1c[nH]c2ccccc2c1=O ZINC000535279724 1074776957 /nfs/dbraw/zinc/77/69/57/1074776957.db2.gz DQTLNYAGWNUFSX-NSHDSACASA-N 0 1 415.368 0.392 20 0 HCADMN O=S1(=O)CCC(O)(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000535281273 1074777249 /nfs/dbraw/zinc/77/72/49/1074777249.db2.gz KWEXHJVHWIAQQI-IBGZPJMESA-N 0 1 422.595 0.855 20 0 HCADMN O=S1(=O)CCC(O)(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000535281286 1074777378 /nfs/dbraw/zinc/77/73/78/1074777378.db2.gz KWEXHJVHWIAQQI-LJQANCHMSA-N 0 1 422.595 0.855 20 0 HCADMN CCN(CC)CCN(C(=O)c1cnc2cc(C)ccn2c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000535281550 1074777327 /nfs/dbraw/zinc/77/73/27/1074777327.db2.gz ROXOQCCNFCFFNT-INIZCTEOSA-N 0 1 420.535 0.974 20 0 HCADMN CCN(CC)CCN(C(=O)c1cnc2cc(C)ccn2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000535281557 1074777308 /nfs/dbraw/zinc/77/73/08/1074777308.db2.gz ROXOQCCNFCFFNT-MRXNPFEDSA-N 0 1 420.535 0.974 20 0 HCADMN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN1CCC[C@@H]1C(N)=O)C2=O ZINC000535294501 1074782213 /nfs/dbraw/zinc/78/22/13/1074782213.db2.gz UJSQWAAVTFOODX-IGMJJTELSA-N 0 1 407.515 0.189 20 0 HCADMN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCCN1CCC[C@H]1C(N)=O)C2=O ZINC000535294505 1074782308 /nfs/dbraw/zinc/78/23/08/1074782308.db2.gz UJSQWAAVTFOODX-KFWWJZLASA-N 0 1 407.515 0.189 20 0 HCADMN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCCN1CCC[C@@H]1C(N)=O)C2=O ZINC000535294506 1074782260 /nfs/dbraw/zinc/78/22/60/1074782260.db2.gz UJSQWAAVTFOODX-RBSFLKMASA-N 0 1 407.515 0.189 20 0 HCADMN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN1CCC[C@H]1C(N)=O)C2=O ZINC000535294508 1074782286 /nfs/dbraw/zinc/78/22/86/1074782286.db2.gz UJSQWAAVTFOODX-YYQBIWNASA-N 0 1 407.515 0.189 20 0 HCADMN NC(=O)[C@H]1CCCN1CCCNC(=O)c1cncc(I)c1 ZINC000535294693 1074778572 /nfs/dbraw/zinc/77/85/72/1074778572.db2.gz WWHKBQVYSFJDID-GFCCVEGCSA-N 0 1 402.236 0.756 20 0 HCADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cncc(I)c1 ZINC000535294697 1074778825 /nfs/dbraw/zinc/77/88/25/1074778825.db2.gz WWHKBQVYSFJDID-LBPRGKRZSA-N 0 1 402.236 0.756 20 0 HCADMN CCN1CCN([C@@H]2CCN(C(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)C2)CC1 ZINC000535298348 1074782950 /nfs/dbraw/zinc/78/29/50/1074782950.db2.gz KFNZHBMAJOJTLJ-KZNAEPCWSA-N 0 1 419.570 0.972 20 0 HCADMN 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/nfs/dbraw/zinc/79/34/01/1075793401.db2.gz ZNLRGCKOSSYYNP-UHFFFAOYSA-N 0 1 404.577 0.535 20 0 HCADMN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000540852926 1075793427 /nfs/dbraw/zinc/79/34/27/1075793427.db2.gz NLHHFCKUWVPSQX-UHFFFAOYSA-N 0 1 417.510 0.519 20 0 HCADMN C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1nnc[nH]1 ZINC000540856081 1075794090 /nfs/dbraw/zinc/79/40/90/1075794090.db2.gz GKRPLSPUMIRCCH-MRVPVSSYSA-N 0 1 413.403 0.685 20 0 HCADMN C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1nnc[nH]1 ZINC000540856082 1075794011 /nfs/dbraw/zinc/79/40/11/1075794011.db2.gz GKRPLSPUMIRCCH-QMMMGPOBSA-N 0 1 413.403 0.685 20 0 HCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000540862101 1075795491 /nfs/dbraw/zinc/79/54/91/1075795491.db2.gz IMVHQNIQLIXKLE-GFCCVEGCSA-N 0 1 408.484 0.587 20 0 HCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000540862101 1075795481 /nfs/dbraw/zinc/79/54/81/1075795481.db2.gz IMVHQNIQLIXKLE-GFCCVEGCSA-N 0 1 408.484 0.587 20 0 HCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000540862102 1075795221 /nfs/dbraw/zinc/79/52/21/1075795221.db2.gz IMVHQNIQLIXKLE-LBPRGKRZSA-N 0 1 408.484 0.587 20 0 HCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000540862102 1075795210 /nfs/dbraw/zinc/79/52/10/1075795210.db2.gz IMVHQNIQLIXKLE-LBPRGKRZSA-N 0 1 408.484 0.587 20 0 HCADMN Cc1nc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000540872042 1075798313 /nfs/dbraw/zinc/79/83/13/1075798313.db2.gz JOVZEPUVZVNQTH-JTQLQIEISA-N 0 1 411.344 0.752 20 0 HCADMN Cc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)n[nH]1 ZINC000540877858 1075801814 /nfs/dbraw/zinc/80/18/14/1075801814.db2.gz FBWCUKSDTXGATN-UHFFFAOYSA-N 0 1 404.496 0.849 20 0 HCADMN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000540920237 1075805213 /nfs/dbraw/zinc/80/52/13/1075805213.db2.gz SNJRROOVQLRIQG-DOTOQJQBSA-N 0 1 406.508 0.285 20 0 HCADMN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000540920238 1075805123 /nfs/dbraw/zinc/80/51/23/1075805123.db2.gz SNJRROOVQLRIQG-NVXWUHKLSA-N 0 1 406.508 0.285 20 0 HCADMN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000540920239 1075805174 /nfs/dbraw/zinc/80/51/74/1075805174.db2.gz SNJRROOVQLRIQG-RDJZCZTQSA-N 0 1 406.508 0.285 20 0 HCADMN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000540920240 1075805205 /nfs/dbraw/zinc/80/52/05/1075805205.db2.gz SNJRROOVQLRIQG-WBVHZDCISA-N 0 1 406.508 0.285 20 0 HCADMN O=C(NCCCCN1CC[NH+](CCO)CC1)NCc1cccnc1-n1cccn1 ZINC000540920311 1075805192 /nfs/dbraw/zinc/80/51/92/1075805192.db2.gz NOQHXXDSKPRART-UHFFFAOYSA-N 0 1 401.515 0.457 20 0 HCADMN NC(=O)c1cnccc1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000540921582 1075805373 /nfs/dbraw/zinc/80/53/73/1075805373.db2.gz FFBKQKYWJNVKTG-UHFFFAOYSA-N 0 1 403.464 0.683 20 0 HCADMN COC(=O)C1CCN(CCCNS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000540921846 1075805150 /nfs/dbraw/zinc/80/51/50/1075805150.db2.gz FPNQUCPCFBRQSN-UHFFFAOYSA-N 0 1 408.484 0.216 20 0 HCADMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931520 1075805507 /nfs/dbraw/zinc/80/55/07/1075805507.db2.gz DWZAREYSLVTHRM-HKUYNNGSSA-N 0 1 408.568 0.847 20 0 HCADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931521 1075805578 /nfs/dbraw/zinc/80/55/78/1075805578.db2.gz DWZAREYSLVTHRM-IEBWSBKVSA-N 0 1 408.568 0.847 20 0 HCADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931522 1075805606 /nfs/dbraw/zinc/80/56/06/1075805606.db2.gz DWZAREYSLVTHRM-MJGOQNOKSA-N 0 1 408.568 0.847 20 0 HCADMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000540931523 1075805550 /nfs/dbraw/zinc/80/55/50/1075805550.db2.gz DWZAREYSLVTHRM-PKOBYXMFSA-N 0 1 408.568 0.847 20 0 HCADMN CN(C)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000540932116 1075805798 /nfs/dbraw/zinc/80/57/98/1075805798.db2.gz SYAVGATYLPCOHO-GOSISDBHSA-N 0 1 422.551 0.327 20 0 HCADMN CN(C)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000540932117 1075805767 /nfs/dbraw/zinc/80/57/67/1075805767.db2.gz SYAVGATYLPCOHO-SFHVURJKSA-N 0 1 422.551 0.327 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC000540941374 1075807301 /nfs/dbraw/zinc/80/73/01/1075807301.db2.gz NHGDSDZENSMHSH-GFCCVEGCSA-N 0 1 405.498 0.404 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CCCCNC1=O ZINC000540941375 1075807361 /nfs/dbraw/zinc/80/73/61/1075807361.db2.gz NHGDSDZENSMHSH-LBPRGKRZSA-N 0 1 405.498 0.404 20 0 HCADMN COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)[C@H](C(=O)OC)C1 ZINC000540964513 1075810876 /nfs/dbraw/zinc/81/08/76/1075810876.db2.gz XFMZUOGRTLNBKI-JMSVASOKSA-N 0 1 416.434 0.634 20 0 HCADMN COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)[C@@H](C(=O)OC)C1 ZINC000540964514 1075810852 /nfs/dbraw/zinc/81/08/52/1075810852.db2.gz XFMZUOGRTLNBKI-LALPHHSUSA-N 0 1 416.434 0.634 20 0 HCADMN COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)[C@@H](C(=O)OC)C1 ZINC000540964515 1075810823 /nfs/dbraw/zinc/81/08/23/1075810823.db2.gz XFMZUOGRTLNBKI-YWPYICTPSA-N 0 1 416.434 0.634 20 0 HCADMN COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)[C@H](C(=O)OC)C1 ZINC000540964516 1075810842 /nfs/dbraw/zinc/81/08/42/1075810842.db2.gz XFMZUOGRTLNBKI-ZOWXZIJZSA-N 0 1 416.434 0.634 20 0 HCADMN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000540973489 1075815504 /nfs/dbraw/zinc/81/55/04/1075815504.db2.gz FZIDZGOUQGGNJX-KRWDZBQOSA-N 0 1 408.474 0.939 20 0 HCADMN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000540973491 1075815544 /nfs/dbraw/zinc/81/55/44/1075815544.db2.gz FZIDZGOUQGGNJX-QGZVFWFLSA-N 0 1 408.474 0.939 20 0 HCADMN CCOC(=O)c1cc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)n[nH]1 ZINC000540975739 1075816246 /nfs/dbraw/zinc/81/62/46/1075816246.db2.gz CHBHJKIOKHNDTM-UHFFFAOYSA-N 0 1 423.451 0.852 20 0 HCADMN CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n[nH]1 ZINC000540975840 1075816196 /nfs/dbraw/zinc/81/61/96/1075816196.db2.gz WQPKZMWKMRTVLP-UHFFFAOYSA-N 0 1 424.435 0.665 20 0 HCADMN CCOC(=O)c1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)n[nH]1 ZINC000540975922 1075816234 /nfs/dbraw/zinc/81/62/34/1075816234.db2.gz RQBMBEXGXIOISP-UHFFFAOYSA-N 0 1 404.427 0.798 20 0 HCADMN CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)n[nH]1 ZINC000540976648 1075816475 /nfs/dbraw/zinc/81/64/75/1075816475.db2.gz UPECWURPUKPJTK-UHFFFAOYSA-N 0 1 423.451 0.804 20 0 HCADMN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)cn1C ZINC000540986377 1075819794 /nfs/dbraw/zinc/81/97/94/1075819794.db2.gz PDMAIJYRWDXWHY-INIZCTEOSA-N 0 1 407.492 0.857 20 0 HCADMN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cn1C ZINC000540986378 1075820075 /nfs/dbraw/zinc/82/00/75/1075820075.db2.gz PDMAIJYRWDXWHY-MRXNPFEDSA-N 0 1 407.492 0.857 20 0 HCADMN COC(=O)Cn1cc(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000540987409 1075820053 /nfs/dbraw/zinc/82/00/53/1075820053.db2.gz PJQRDSODJFWHAQ-INIZCTEOSA-N 0 1 408.480 0.101 20 0 HCADMN COC(=O)Cn1cc(S(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000540987410 1075820066 /nfs/dbraw/zinc/82/00/66/1075820066.db2.gz PJQRDSODJFWHAQ-MRXNPFEDSA-N 0 1 408.480 0.101 20 0 HCADMN COC(=O)Cn1cc(S(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)cn1 ZINC000540987451 1075820318 /nfs/dbraw/zinc/82/03/18/1075820318.db2.gz YXEOYKSGRPSFBA-UHFFFAOYSA-N 0 1 422.507 0.491 20 0 HCADMN COC(=O)C1(CNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCOCC1 ZINC000540987612 1075820028 /nfs/dbraw/zinc/82/00/28/1075820028.db2.gz UPDLOCAYDFCUJD-UHFFFAOYSA-N 0 1 405.499 0.602 20 0 HCADMN O=S(=O)(NCc1ccccc1CN1CC[C@@H](O)C1)c1cccc(-n2cnnn2)c1 ZINC000540990728 1075820947 /nfs/dbraw/zinc/82/09/47/1075820947.db2.gz VLZPSEIGLROOQN-GOSISDBHSA-N 0 1 414.491 0.707 20 0 HCADMN O=S(=O)(NCc1ccccc1CN1CC[C@H](O)C1)c1cccc(-n2cnnn2)c1 ZINC000540990729 1075820985 /nfs/dbraw/zinc/82/09/85/1075820985.db2.gz VLZPSEIGLROOQN-SFHVURJKSA-N 0 1 414.491 0.707 20 0 HCADMN O=S(=O)(NCc1ccccc1CN1CC[C@H](O)C1)c1cnn([C@@H]2CCOC2)c1 ZINC000540991249 1075821449 /nfs/dbraw/zinc/82/14/49/1075821449.db2.gz ACSUFDOFJXAKDQ-MSOLQXFVSA-N 0 1 406.508 0.890 20 0 HCADMN O=S(=O)(NCc1ccccc1CN1CC[C@@H](O)C1)c1cnn([C@@H]2CCOC2)c1 ZINC000540991254 1075821461 /nfs/dbraw/zinc/82/14/61/1075821461.db2.gz ACSUFDOFJXAKDQ-QZTJIDSGSA-N 0 1 406.508 0.890 20 0 HCADMN O=S(=O)(NCc1ccccc1CN1CC[C@H](O)C1)c1cnn([C@H]2CCOC2)c1 ZINC000540991256 1075821380 /nfs/dbraw/zinc/82/13/80/1075821380.db2.gz ACSUFDOFJXAKDQ-ROUUACIJSA-N 0 1 406.508 0.890 20 0 HCADMN O=S(=O)(NCc1ccccc1CN1CC[C@@H](O)C1)c1cnn([C@H]2CCOC2)c1 ZINC000540991258 1075821413 /nfs/dbraw/zinc/82/14/13/1075821413.db2.gz ACSUFDOFJXAKDQ-ZWKOTPCHSA-N 0 1 406.508 0.890 20 0 HCADMN CCOc1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)cn1 ZINC000541006738 1075824576 /nfs/dbraw/zinc/82/45/76/1075824576.db2.gz VNKADBWEYTWJTI-UHFFFAOYSA-N 0 1 405.480 0.486 20 0 HCADMN COc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1-n1cnnn1 ZINC000541013397 1075827241 /nfs/dbraw/zinc/82/72/41/1075827241.db2.gz PUFGJCSBJPYLKH-UHFFFAOYSA-N 0 1 408.466 0.748 20 0 HCADMN Cc1cc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)cn(C)c1=O ZINC000541014775 1075827497 /nfs/dbraw/zinc/82/74/97/1075827497.db2.gz NWCMYSNMXLBIGH-UHFFFAOYSA-N 0 1 411.506 0.566 20 0 HCADMN C[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)S(N)(=O)=O ZINC000541015828 1075827748 /nfs/dbraw/zinc/82/77/48/1075827748.db2.gz YOKTYXCOZOYGMQ-KBPBESRZSA-N 0 1 416.569 0.431 20 0 HCADMN C[C@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)S(N)(=O)=O ZINC000541015829 1075827784 /nfs/dbraw/zinc/82/77/84/1075827784.db2.gz YOKTYXCOZOYGMQ-KGLIPLIRSA-N 0 1 416.569 0.431 20 0 HCADMN C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)S(N)(=O)=O ZINC000541015830 1075827770 /nfs/dbraw/zinc/82/77/70/1075827770.db2.gz YOKTYXCOZOYGMQ-UONOGXRCSA-N 0 1 416.569 0.431 20 0 HCADMN C[C@H](CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)S(N)(=O)=O ZINC000541015831 1075827752 /nfs/dbraw/zinc/82/77/52/1075827752.db2.gz 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414.203 0.755 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000541047698 1075837729 /nfs/dbraw/zinc/83/77/29/1075837729.db2.gz QVYXFEZQVYXVLO-AWEZNQCLSA-N 0 1 417.963 0.553 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000541047701 1075837711 /nfs/dbraw/zinc/83/77/11/1075837711.db2.gz QVYXFEZQVYXVLO-CQSZACIVSA-N 0 1 417.963 0.553 20 0 HCADMN CNC(=O)[C@@H]1CN(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)CCO1 ZINC000541061261 1075836961 /nfs/dbraw/zinc/83/69/61/1075836961.db2.gz ZZJCTXRPUGXWRQ-IBGZPJMESA-N 0 1 404.511 0.176 20 0 HCADMN CNC(=O)[C@H]1CN(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)CCO1 ZINC000541061262 1075836940 /nfs/dbraw/zinc/83/69/40/1075836940.db2.gz ZZJCTXRPUGXWRQ-LJQANCHMSA-N 0 1 404.511 0.176 20 0 HCADMN c1c[nH]c(CN2CCN(CC3(CN4CCN(Cc5ncc[nH]5)CC4)COC3)CC2)n1 ZINC000541070860 1075838964 /nfs/dbraw/zinc/83/89/64/1075838964.db2.gz XYNMDECBKGJJKB-UHFFFAOYSA-N 0 1 414.558 0.085 20 0 HCADMN CN(C)CCCN(C(=O)CSc1nnc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000541095876 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COc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c(C)c1F ZINC000541190178 1075854935 /nfs/dbraw/zinc/85/49/35/1075854935.db2.gz IYARLYYKOJVEJE-UHFFFAOYSA-N 0 1 403.520 0.811 20 0 HCADMN Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(C3CCOCC3)CC2)C1=O ZINC000541193160 1075855767 /nfs/dbraw/zinc/85/57/67/1075855767.db2.gz BKUACPAILBFRCL-KRWDZBQOSA-N 0 1 404.515 0.417 20 0 HCADMN Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(C3CCOCC3)CC2)C1=O ZINC000541193161 1075855729 /nfs/dbraw/zinc/85/57/29/1075855729.db2.gz BKUACPAILBFRCL-QGZVFWFLSA-N 0 1 404.515 0.417 20 0 HCADMN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN[C@@H](C)c2cccnc2)CC1 ZINC000541193550 1075855778 /nfs/dbraw/zinc/85/57/78/1075855778.db2.gz ILQDJEDAPQHGJO-ZDUSSCGKSA-N 0 1 407.496 0.870 20 0 HCADMN CCc1cnccc1[C@H](C)NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000541193715 1075855817 /nfs/dbraw/zinc/85/58/17/1075855817.db2.gz VGMASUKGGCVDKU-KRWDZBQOSA-N 0 1 403.527 0.298 20 0 HCADMN CCc1cnccc1[C@@H](C)NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000541193716 1075855795 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/nfs/dbraw/zinc/53/68/93/1073536893.db2.gz ODYFPKKJPVDSEC-IFMALSPDSA-N 0 1 416.566 0.845 20 0 HCADMN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000599036947 1073537096 /nfs/dbraw/zinc/53/70/96/1073537096.db2.gz ODYFPKKJPVDSEC-IRLDBZIGSA-N 0 1 416.566 0.845 20 0 HCADMN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000599036948 1073536981 /nfs/dbraw/zinc/53/69/81/1073536981.db2.gz ODYFPKKJPVDSEC-RBBKRZOGSA-N 0 1 416.566 0.845 20 0 HCADMN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000599036949 1073537250 /nfs/dbraw/zinc/53/72/50/1073537250.db2.gz ODYFPKKJPVDSEC-UNMCSNQZSA-N 0 1 416.566 0.845 20 0 HCADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000599109535 1073557885 /nfs/dbraw/zinc/55/78/85/1073557885.db2.gz LDMHQWVRTOWHIF-GFCCVEGCSA-N 0 1 407.496 0.517 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000599109536 1073558031 /nfs/dbraw/zinc/55/80/31/1073558031.db2.gz LDMHQWVRTOWHIF-LBPRGKRZSA-N 0 1 407.496 0.517 20 0 HCADMN CC(C)(C)CN(CCO)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000599162182 1073573301 /nfs/dbraw/zinc/57/33/01/1073573301.db2.gz AMAPJXNHQXJNAN-UHFFFAOYSA-N 0 1 413.540 0.986 20 0 HCADMN CC(C)(C)CN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000599162189 1073573401 /nfs/dbraw/zinc/57/34/01/1073573401.db2.gz BCHJDHOBYJTGCI-UHFFFAOYSA-N 0 1 415.531 0.999 20 0 HCADMN CC(C)(C)CN(CCO)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000599162266 1073573934 /nfs/dbraw/zinc/57/39/34/1073573934.db2.gz HOZJRZZMRUPPIZ-UHFFFAOYSA-N 0 1 413.540 0.986 20 0 HCADMN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCO)CC(C)(C)C)CC1 ZINC000599162703 1073572798 /nfs/dbraw/zinc/57/27/98/1073572798.db2.gz WBGVFYOFHRDWJX-UHFFFAOYSA-N 0 1 416.544 0.465 20 0 HCADMN CCc1nc(CN2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)no1 ZINC000599251039 1073588817 /nfs/dbraw/zinc/58/88/17/1073588817.db2.gz PEYBCPUZAAJWHP-UHFFFAOYSA-N 0 1 424.461 0.548 20 0 HCADMN CN1CCCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000599296107 1073597977 /nfs/dbraw/zinc/59/79/77/1073597977.db2.gz NJMOOMYZEVUVPR-KRWDZBQOSA-N 0 1 408.524 0.995 20 0 HCADMN CN1CCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000599296108 1073597812 /nfs/dbraw/zinc/59/78/12/1073597812.db2.gz NJMOOMYZEVUVPR-QGZVFWFLSA-N 0 1 408.524 0.995 20 0 HCADMN C[C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)N1CCc2ccccc2C1 ZINC000599301235 1073599035 /nfs/dbraw/zinc/59/90/35/1073599035.db2.gz KHDFFKBNFBLECT-GOSISDBHSA-N 0 1 400.523 0.436 20 0 HCADMN C[C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)N1CCc2ccccc2C1 ZINC000599301236 1073598674 /nfs/dbraw/zinc/59/86/74/1073598674.db2.gz KHDFFKBNFBLECT-SFHVURJKSA-N 0 1 400.523 0.436 20 0 HCADMN O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000599301508 1073598030 /nfs/dbraw/zinc/59/80/30/1073598030.db2.gz HOTLNROQUVPAMM-UHFFFAOYSA-N 0 1 409.450 0.762 20 0 HCADMN CCN(CC)C(=O)CN1CCCN(C(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000599309161 1073595368 /nfs/dbraw/zinc/59/53/68/1073595368.db2.gz PDLBPXHMEXDVOI-UHFFFAOYSA-N 0 1 402.503 0.192 20 0 HCADMN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000599324333 1073604480 /nfs/dbraw/zinc/60/44/80/1073604480.db2.gz VTURXFWJNCYSOQ-HNNXBMFYSA-N 0 1 421.517 0.787 20 0 HCADMN CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000599324334 1073604524 /nfs/dbraw/zinc/60/45/24/1073604524.db2.gz VTURXFWJNCYSOQ-OAHLLOKOSA-N 0 1 421.517 0.787 20 0 HCADMN COc1cc(N2C[C@H](C(=O)NC[C@@H]3CN(C)CCN3C)CC2=O)cc(OC)c1OC ZINC000599332757 1073606275 /nfs/dbraw/zinc/60/62/75/1073606275.db2.gz HWVIKCHZZFFCHK-GDBMZVCRSA-N 0 1 420.510 0.427 20 0 HCADMN COc1cc(N2C[C@@H](C(=O)NC[C@@H]3CN(C)CCN3C)CC2=O)cc(OC)c1OC ZINC000599332758 1073606212 /nfs/dbraw/zinc/60/62/12/1073606212.db2.gz HWVIKCHZZFFCHK-GOEBONIOSA-N 0 1 420.510 0.427 20 0 HCADMN COc1cc(N2C[C@@H](C(=O)NC[C@H]3CN(C)CCN3C)CC2=O)cc(OC)c1OC ZINC000599332759 1073606294 /nfs/dbraw/zinc/60/62/94/1073606294.db2.gz HWVIKCHZZFFCHK-HOCLYGCPSA-N 0 1 420.510 0.427 20 0 HCADMN COc1cc(N2C[C@H](C(=O)NC[C@H]3CN(C)CCN3C)CC2=O)cc(OC)c1OC ZINC000599332760 1073606147 /nfs/dbraw/zinc/60/61/47/1073606147.db2.gz HWVIKCHZZFFCHK-ZBFHGGJFSA-N 0 1 420.510 0.427 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000599332811 1073605904 /nfs/dbraw/zinc/60/59/04/1073605904.db2.gz MQMFQISLMVSRNS-GOSISDBHSA-N 0 1 424.567 0.002 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000599332812 1073606050 /nfs/dbraw/zinc/60/60/50/1073606050.db2.gz MQMFQISLMVSRNS-SFHVURJKSA-N 0 1 424.567 0.002 20 0 HCADMN CCn1c(CCC(=O)NCc2nn[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000599334098 1073600911 /nfs/dbraw/zinc/60/09/11/1073600911.db2.gz CZJDWTFYAVNORI-UHFFFAOYSA-N 0 1 406.472 0.069 20 0 HCADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3nn[nH]n3)c2c1 ZINC000599334269 1073600810 /nfs/dbraw/zinc/60/08/10/1073600810.db2.gz IXVRPCGFWNAUCE-UHFFFAOYSA-N 0 1 405.440 0.414 20 0 HCADMN CN(c1ccc(OCC(=O)NCc2nn[nH]n2)cc1)S(=O)(=O)c1cccs1 ZINC000599334358 1073600562 /nfs/dbraw/zinc/60/05/62/1073600562.db2.gz HVRKSACHNZKDHD-UHFFFAOYSA-N 0 1 408.465 0.782 20 0 HCADMN O=C(NCc1nn[nH]n1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000599334416 1073600674 /nfs/dbraw/zinc/60/06/74/1073600674.db2.gz LQPSFTMHADUVCJ-UHFFFAOYSA-N 0 1 404.496 0.796 20 0 HCADMN O=C(NCc1nn[nH]n1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000599334456 1073601002 /nfs/dbraw/zinc/60/10/02/1073601002.db2.gz NBEFSRJQKVZQAZ-UHFFFAOYSA-N 0 1 418.401 0.936 20 0 HCADMN O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1nn[nH]n1 ZINC000599334472 1073600726 /nfs/dbraw/zinc/60/07/26/1073600726.db2.gz OJQYQLKUJJORAX-UHFFFAOYSA-N 0 1 412.781 0.857 20 0 HCADMN CCCCn1c2nc(CCC(=O)NCc3nn[nH]n3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000599334532 1073600938 /nfs/dbraw/zinc/60/09/38/1073600938.db2.gz PDAKJTDBBINTEM-UHFFFAOYSA-N 0 1 417.474 0.517 20 0 HCADMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1nn[nH]n1)n2C ZINC000599334622 1073599592 /nfs/dbraw/zinc/59/95/92/1073599592.db2.gz QYNUEEXMVPSOMD-UHFFFAOYSA-N 0 1 420.499 0.366 20 0 HCADMN COc1ccc(C(=O)NCc2nn[nH]n2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000599334650 1073600467 /nfs/dbraw/zinc/60/04/67/1073600467.db2.gz OJJGDLOGQAFRSX-RYUDHWBXSA-N 0 1 408.484 0.805 20 0 HCADMN COc1ccc(C(=O)NCc2nn[nH]n2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000599334651 1073600884 /nfs/dbraw/zinc/60/08/84/1073600884.db2.gz OJJGDLOGQAFRSX-TXEJJXNPSA-N 0 1 408.484 0.805 20 0 HCADMN COc1ccc(C(=O)NCc2nn[nH]n2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000599334653 1073600773 /nfs/dbraw/zinc/60/07/73/1073600773.db2.gz OJJGDLOGQAFRSX-VXGBXAGGSA-N 0 1 408.484 0.805 20 0 HCADMN O=C(NCc1nn[nH]n1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000599334874 1073599700 /nfs/dbraw/zinc/59/97/00/1073599700.db2.gz UKNDPCXEYODPIO-UHFFFAOYSA-N 0 1 404.477 0.938 20 0 HCADMN COc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2CN(C)CCN2C)C(C)C)cc1 ZINC000599335394 1073601703 /nfs/dbraw/zinc/60/17/03/1073601703.db2.gz CLLBLRKTXUBGMN-QAPCUYQASA-N 0 1 412.556 0.360 20 0 HCADMN COc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2CN(C)CCN2C)C(C)C)cc1 ZINC000599335395 1073601872 /nfs/dbraw/zinc/60/18/72/1073601872.db2.gz CLLBLRKTXUBGMN-YJBOKZPZSA-N 0 1 412.556 0.360 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000599335410 1073601920 /nfs/dbraw/zinc/60/19/20/1073601920.db2.gz HIAFTIUZRHBJKS-INIZCTEOSA-N 0 1 406.508 0.734 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000599335411 1073601754 /nfs/dbraw/zinc/60/17/54/1073601754.db2.gz HIAFTIUZRHBJKS-MRXNPFEDSA-N 0 1 406.508 0.734 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 ZINC000599335426 1073602663 /nfs/dbraw/zinc/60/26/63/1073602663.db2.gz KKYPOCLIZVBMIP-DLBZAZTESA-N 0 1 410.540 0.120 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 ZINC000599335427 1073602407 /nfs/dbraw/zinc/60/24/07/1073602407.db2.gz KKYPOCLIZVBMIP-IAGOWNOFSA-N 0 1 410.540 0.120 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000599335428 1073602758 /nfs/dbraw/zinc/60/27/58/1073602758.db2.gz KKYPOCLIZVBMIP-IRXDYDNUSA-N 0 1 410.540 0.120 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000599335429 1073602540 /nfs/dbraw/zinc/60/25/40/1073602540.db2.gz KKYPOCLIZVBMIP-SJORKVTESA-N 0 1 410.540 0.120 20 0 HCADMN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)cc1 ZINC000599335444 1073603297 /nfs/dbraw/zinc/60/32/97/1073603297.db2.gz LWSVJPYJFNIRMN-GOSISDBHSA-N 0 1 408.568 0.758 20 0 HCADMN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CN(C)CCN3C)CC2)cc1 ZINC000599335445 1073603833 /nfs/dbraw/zinc/60/38/33/1073603833.db2.gz LWSVJPYJFNIRMN-SFHVURJKSA-N 0 1 408.568 0.758 20 0 HCADMN COc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cc1S(=O)(=O)N1CCCC1 ZINC000599336016 1073609641 /nfs/dbraw/zinc/60/96/41/1073609641.db2.gz VEPGJEMKMPNXOD-INIZCTEOSA-N 0 1 410.540 0.455 20 0 HCADMN COc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1S(=O)(=O)N1CCCC1 ZINC000599336017 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ZINC000604369903 1073770654 /nfs/dbraw/zinc/77/06/54/1073770654.db2.gz BWJITEPGYSCCLI-INIZCTEOSA-N 0 1 410.540 0.585 20 0 HCADMN CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369904 1073770702 /nfs/dbraw/zinc/77/07/02/1073770702.db2.gz BWJITEPGYSCCLI-MRXNPFEDSA-N 0 1 410.540 0.585 20 0 HCADMN CN(C)C(=O)COc1ccccc1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604369988 1073770424 /nfs/dbraw/zinc/77/04/24/1073770424.db2.gz DVDJFWIFOYJSQA-KRWDZBQOSA-N 0 1 404.511 0.290 20 0 HCADMN CN(C)C(=O)COc1ccccc1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604369996 1073770377 /nfs/dbraw/zinc/77/03/77/1073770377.db2.gz DVDJFWIFOYJSQA-QGZVFWFLSA-N 0 1 404.511 0.290 20 0 HCADMN CC(C)C(=O)Nc1nc(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cs1 ZINC000604370068 1073769265 /nfs/dbraw/zinc/76/92/65/1073769265.db2.gz FLRCTPLWYJFGAR-HNNXBMFYSA-N 0 1 409.556 0.803 20 0 HCADMN CC(C)C(=O)Nc1nc(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cs1 ZINC000604370069 1073770201 /nfs/dbraw/zinc/77/02/01/1073770201.db2.gz FLRCTPLWYJFGAR-OAHLLOKOSA-N 0 1 409.556 0.803 20 0 HCADMN O=C(CNC(=O)NCc1ccc(Cl)cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370070 1073770270 /nfs/dbraw/zinc/77/02/70/1073770270.db2.gz FMXMSCHTZXYPMH-GOSISDBHSA-N 0 1 423.945 0.662 20 0 HCADMN O=C(CNC(=O)NCc1ccc(Cl)cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370073 1073770536 /nfs/dbraw/zinc/77/05/36/1073770536.db2.gz FMXMSCHTZXYPMH-SFHVURJKSA-N 0 1 423.945 0.662 20 0 HCADMN O=C(COc1cccc(N2CCCC2=O)c1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370150 1073770637 /nfs/dbraw/zinc/77/06/37/1073770637.db2.gz GJGOXHYBVUGJIM-GOSISDBHSA-N 0 1 416.522 0.715 20 0 HCADMN O=C(COc1cccc(N2CCCC2=O)c1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370153 1073770729 /nfs/dbraw/zinc/77/07/29/1073770729.db2.gz GJGOXHYBVUGJIM-SFHVURJKSA-N 0 1 416.522 0.715 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc(CN2CCOCC2)c1 ZINC000604370280 1073769455 /nfs/dbraw/zinc/76/94/55/1073769455.db2.gz HFJHAHXQNZNMTG-NRFANRHFSA-N 0 1 402.539 0.655 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(CN2CCOCC2)c1 ZINC000604370283 1073769598 /nfs/dbraw/zinc/76/95/98/1073769598.db2.gz HFJHAHXQNZNMTG-OAQYLSRUSA-N 0 1 402.539 0.655 20 0 HCADMN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370293 1073769362 /nfs/dbraw/zinc/76/93/62/1073769362.db2.gz HKLSMOUAFLIMGV-INIZCTEOSA-N 0 1 400.479 0.195 20 0 HCADMN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370294 1073769570 /nfs/dbraw/zinc/76/95/70/1073769570.db2.gz HKLSMOUAFLIMGV-MRXNPFEDSA-N 0 1 400.479 0.195 20 0 HCADMN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370324 1073769290 /nfs/dbraw/zinc/76/92/90/1073769290.db2.gz HULAQUFWACCJBS-MSOLQXFVSA-N 0 1 416.588 0.103 20 0 HCADMN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370334 1073769199 /nfs/dbraw/zinc/76/91/99/1073769199.db2.gz HULAQUFWACCJBS-QZTJIDSGSA-N 0 1 416.588 0.103 20 0 HCADMN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370335 1073769395 /nfs/dbraw/zinc/76/93/95/1073769395.db2.gz HULAQUFWACCJBS-ROUUACIJSA-N 0 1 416.588 0.103 20 0 HCADMN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370337 1073769333 /nfs/dbraw/zinc/76/93/33/1073769333.db2.gz HULAQUFWACCJBS-ZWKOTPCHSA-N 0 1 416.588 0.103 20 0 HCADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)[nH]n1 ZINC000604370342 1073769423 /nfs/dbraw/zinc/76/94/23/1073769423.db2.gz HVYMUMBUCQVNJU-INIZCTEOSA-N 0 1 401.515 0.563 20 0 HCADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)[nH]n1 ZINC000604370344 1073769099 /nfs/dbraw/zinc/76/90/99/1073769099.db2.gz HVYMUMBUCQVNJU-MRXNPFEDSA-N 0 1 401.515 0.563 20 0 HCADMN Cn1c2ccccc2n(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1=O ZINC000604370352 1073769667 /nfs/dbraw/zinc/76/96/67/1073769667.db2.gz IFCUARVETAGZNP-KRWDZBQOSA-N 0 1 401.511 0.253 20 0 HCADMN Cn1c2ccccc2n(CCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1=O ZINC000604370356 1073769481 /nfs/dbraw/zinc/76/94/81/1073769481.db2.gz IFCUARVETAGZNP-QGZVFWFLSA-N 0 1 401.511 0.253 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370397 1073770314 /nfs/dbraw/zinc/77/03/14/1073770314.db2.gz IXQPJUOQFJPPNR-DOTOQJQBSA-N 0 1 422.476 0.840 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370398 1073770811 /nfs/dbraw/zinc/77/08/11/1073770811.db2.gz IXQPJUOQFJPPNR-NVXWUHKLSA-N 0 1 422.476 0.840 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370399 1073770559 /nfs/dbraw/zinc/77/05/59/1073770559.db2.gz IXQPJUOQFJPPNR-RDJZCZTQSA-N 0 1 422.476 0.840 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370400 1073770752 /nfs/dbraw/zinc/77/07/52/1073770752.db2.gz IXQPJUOQFJPPNR-WBVHZDCISA-N 0 1 422.476 0.840 20 0 HCADMN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370405 1073772204 /nfs/dbraw/zinc/77/22/04/1073772204.db2.gz JBWIZEAFJNFDQK-LEWJYISDSA-N 0 1 400.523 0.483 20 0 HCADMN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370406 1073772430 /nfs/dbraw/zinc/77/24/30/1073772430.db2.gz JBWIZEAFJNFDQK-NHCUHLMSSA-N 0 1 400.523 0.483 20 0 HCADMN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370407 1073771643 /nfs/dbraw/zinc/77/16/43/1073771643.db2.gz JBWIZEAFJNFDQK-RTWAWAEBSA-N 0 1 400.523 0.483 20 0 HCADMN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370408 1073771830 /nfs/dbraw/zinc/77/18/30/1073771830.db2.gz JBWIZEAFJNFDQK-SFTDATJTSA-N 0 1 400.523 0.483 20 0 HCADMN O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604370539 1073774353 /nfs/dbraw/zinc/77/43/53/1073774353.db2.gz JGVORUVOEIBMBK-IBGZPJMESA-N 0 1 409.575 0.921 20 0 HCADMN O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604370550 1073774478 /nfs/dbraw/zinc/77/44/78/1073774478.db2.gz JGVORUVOEIBMBK-LJQANCHMSA-N 0 1 409.575 0.921 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370596 1073774576 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ZINC000604375634 1073800245 /nfs/dbraw/zinc/80/02/45/1073800245.db2.gz DBIMVSXGGXZSSA-GOSISDBHSA-N 0 1 406.502 0.799 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000604375635 1073800382 /nfs/dbraw/zinc/80/03/82/1073800382.db2.gz DBIMVSXGGXZSSA-SFHVURJKSA-N 0 1 406.502 0.799 20 0 HCADMN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000604375650 1073800274 /nfs/dbraw/zinc/80/02/74/1073800274.db2.gz DQJCNDJXAUPXHX-INIZCTEOSA-N 0 1 410.540 0.039 20 0 HCADMN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000604375651 1073800359 /nfs/dbraw/zinc/80/03/59/1073800359.db2.gz DQJCNDJXAUPXHX-MRXNPFEDSA-N 0 1 410.540 0.039 20 0 HCADMN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604376134 1073800059 /nfs/dbraw/zinc/80/00/59/1073800059.db2.gz GABUQXXYZGZDBE-HNNXBMFYSA-N 0 1 414.510 0.688 20 0 HCADMN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604376135 1073799810 /nfs/dbraw/zinc/79/98/10/1073799810.db2.gz GABUQXXYZGZDBE-OAHLLOKOSA-N 0 1 414.510 0.688 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000604376482 1073801185 /nfs/dbraw/zinc/80/11/85/1073801185.db2.gz MSKGZEMEKXFLNE-GOSISDBHSA-N 0 1 422.551 0.264 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000604376483 1073801067 /nfs/dbraw/zinc/80/10/67/1073801067.db2.gz MSKGZEMEKXFLNE-SFHVURJKSA-N 0 1 422.551 0.264 20 0 HCADMN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000604376486 1073801220 /nfs/dbraw/zinc/80/12/20/1073801220.db2.gz MWLMWSHHKZZPMT-GOSISDBHSA-N 0 1 424.567 0.510 20 0 HCADMN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000604376488 1073801174 /nfs/dbraw/zinc/80/11/74/1073801174.db2.gz MWLMWSHHKZZPMT-SFHVURJKSA-N 0 1 424.567 0.510 20 0 HCADMN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604376512 1073801209 /nfs/dbraw/zinc/80/12/09/1073801209.db2.gz NMWAXCFNGRTTLR-KURKYZTESA-N 0 1 406.527 0.074 20 0 HCADMN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604376513 1073801146 /nfs/dbraw/zinc/80/11/46/1073801146.db2.gz NMWAXCFNGRTTLR-KZNAEPCWSA-N 0 1 406.527 0.074 20 0 HCADMN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604376674 1073801126 /nfs/dbraw/zinc/80/11/26/1073801126.db2.gz NMWAXCFNGRTTLR-OKZBNKHCSA-N 0 1 406.527 0.074 20 0 HCADMN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604376675 1073801227 /nfs/dbraw/zinc/80/12/27/1073801227.db2.gz NMWAXCFNGRTTLR-RCCFBDPRSA-N 0 1 406.527 0.074 20 0 HCADMN CC(=O)N(CCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604376682 1073801197 /nfs/dbraw/zinc/80/11/97/1073801197.db2.gz NYQBMRCJXNSQAL-NRFANRHFSA-N 0 1 402.539 0.948 20 0 HCADMN CC(=O)N(CCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604376683 1073801137 /nfs/dbraw/zinc/80/11/37/1073801137.db2.gz NYQBMRCJXNSQAL-OAQYLSRUSA-N 0 1 402.539 0.948 20 0 HCADMN Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000604376703 1073801116 /nfs/dbraw/zinc/80/11/16/1073801116.db2.gz PLURHAMLRGDZOC-LJQANCHMSA-N 0 1 403.527 0.317 20 0 HCADMN O=C(CSc1nnnn1C1CCCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604376764 1073801052 /nfs/dbraw/zinc/80/10/52/1073801052.db2.gz RNFRFQPVPPQBFI-HNNXBMFYSA-N 0 1 409.560 0.403 20 0 HCADMN O=C(CSc1nnnn1C1CCCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604376767 1073801100 /nfs/dbraw/zinc/80/11/00/1073801100.db2.gz RNFRFQPVPPQBFI-OAHLLOKOSA-N 0 1 409.560 0.403 20 0 HCADMN COc1ccccc1N1C[C@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1=O ZINC000604376787 1073800781 /nfs/dbraw/zinc/80/07/81/1073800781.db2.gz RXPCZYAFMCDCTH-MSOLQXFVSA-N 0 1 416.522 0.571 20 0 HCADMN COc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1=O ZINC000604376789 1073800806 /nfs/dbraw/zinc/80/08/06/1073800806.db2.gz RXPCZYAFMCDCTH-QZTJIDSGSA-N 0 1 416.522 0.571 20 0 HCADMN COc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1=O ZINC000604376790 1073800849 /nfs/dbraw/zinc/80/08/49/1073800849.db2.gz RXPCZYAFMCDCTH-ROUUACIJSA-N 0 1 416.522 0.571 20 0 HCADMN COc1ccccc1N1C[C@@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1=O ZINC000604376791 1073800720 /nfs/dbraw/zinc/80/07/20/1073800720.db2.gz RXPCZYAFMCDCTH-ZWKOTPCHSA-N 0 1 416.522 0.571 20 0 HCADMN Cc1ccc(CCC(=O)NCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000604376792 1073800666 /nfs/dbraw/zinc/80/06/66/1073800666.db2.gz RZJVYDJBYYBDGA-FQEVSTJZSA-N 0 1 402.539 0.567 20 0 HCADMN Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000604376795 1073800642 /nfs/dbraw/zinc/80/06/42/1073800642.db2.gz RZJVYDJBYYBDGA-HXUWFJFHSA-N 0 1 402.539 0.567 20 0 HCADMN Cc1cccc2c(=O)n(CCC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)cnc12 ZINC000604376820 1073800864 /nfs/dbraw/zinc/80/08/64/1073800864.db2.gz SKWRYHNYBUHURK-GOSISDBHSA-N 0 1 413.522 0.618 20 0 HCADMN Cc1cccc2c(=O)n(CCC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)cnc12 ZINC000604376821 1073800675 /nfs/dbraw/zinc/80/06/75/1073800675.db2.gz SKWRYHNYBUHURK-SFHVURJKSA-N 0 1 413.522 0.618 20 0 HCADMN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604376859 1073800759 /nfs/dbraw/zinc/80/07/59/1073800759.db2.gz SMTQEKHTLBDAMG-GOSISDBHSA-N 0 1 416.522 0.715 20 0 HCADMN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604376860 1073800652 /nfs/dbraw/zinc/80/06/52/1073800652.db2.gz SMTQEKHTLBDAMG-SFHVURJKSA-N 0 1 416.522 0.715 20 0 HCADMN Cc1c(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(C)cc1 ZINC000604376871 1073800796 /nfs/dbraw/zinc/80/07/96/1073800796.db2.gz SXYNGKNTPHJQPM-IBGZPJMESA-N 0 1 412.538 0.949 20 0 HCADMN Cc1c(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(C)cc1 ZINC000604376872 1073801043 /nfs/dbraw/zinc/80/10/43/1073801043.db2.gz SXYNGKNTPHJQPM-LJQANCHMSA-N 0 1 412.538 0.949 20 0 HCADMN Cc1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1N1CCNC1=O ZINC000604376917 1073801158 /nfs/dbraw/zinc/80/11/58/1073801158.db2.gz WOQXZAKIIUVHKL-GOSISDBHSA-N 0 1 401.511 0.661 20 0 HCADMN Cc1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ccc1N1CCNC1=O ZINC000604376918 1073800840 /nfs/dbraw/zinc/80/08/40/1073800840.db2.gz WOQXZAKIIUVHKL-SFHVURJKSA-N 0 1 401.511 0.661 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000604377007 1073800629 /nfs/dbraw/zinc/80/06/29/1073800629.db2.gz ZOKLOZDWKZLPDP-AABGKKOBSA-N 0 1 406.571 0.938 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000604377008 1073800817 /nfs/dbraw/zinc/80/08/17/1073800817.db2.gz ZOKLOZDWKZLPDP-AQNXPRMDSA-N 0 1 406.571 0.938 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000604377009 1073800735 /nfs/dbraw/zinc/80/07/35/1073800735.db2.gz ZOKLOZDWKZLPDP-HSALFYBXSA-N 0 1 406.571 0.938 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000604377010 1073800708 /nfs/dbraw/zinc/80/07/08/1073800708.db2.gz ZOKLOZDWKZLPDP-VAMGGRTRSA-N 0 1 406.571 0.938 20 0 HCADMN O=C(CCc1nc2ccccc2oc1=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604377017 1073800693 /nfs/dbraw/zinc/80/06/93/1073800693.db2.gz ZVAOZIDOUZMQGG-INIZCTEOSA-N 0 1 400.479 0.643 20 0 HCADMN O=C(CCc1nc2ccccc2oc1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604377018 1073800765 /nfs/dbraw/zinc/80/07/65/1073800765.db2.gz ZVAOZIDOUZMQGG-MRXNPFEDSA-N 0 1 400.479 0.643 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C ZINC000604384194 1073801900 /nfs/dbraw/zinc/80/19/00/1073801900.db2.gz NBESRRZCFMCOKY-DLBZAZTESA-N 0 1 410.540 0.373 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C ZINC000604384195 1073801853 /nfs/dbraw/zinc/80/18/53/1073801853.db2.gz NBESRRZCFMCOKY-IAGOWNOFSA-N 0 1 410.540 0.373 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C ZINC000604384196 1073801873 /nfs/dbraw/zinc/80/18/73/1073801873.db2.gz NBESRRZCFMCOKY-IRXDYDNUSA-N 0 1 410.540 0.373 20 0 HCADMN COc1ccc(CN2CCN(C(=O)CN3CCN([C@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000604384266 1073801823 /nfs/dbraw/zinc/80/18/23/1073801823.db2.gz OOACDSUODTYJOL-FCHUYYIVSA-N 0 1 416.566 0.870 20 0 HCADMN COc1ccc(CN2CCN(C(=O)CN3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000604384268 1073801887 /nfs/dbraw/zinc/80/18/87/1073801887.db2.gz OOACDSUODTYJOL-FGZHOGPDSA-N 0 1 416.566 0.870 20 0 HCADMN COc1ccc(CN2CCN(C(=O)CN3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000604384270 1073801957 /nfs/dbraw/zinc/80/19/57/1073801957.db2.gz OOACDSUODTYJOL-VXKWHMMOSA-N 0 1 416.566 0.870 20 0 HCADMN O=C(CN1CCN([C@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384698 1073801923 /nfs/dbraw/zinc/80/19/23/1073801923.db2.gz XYUZNBJEBBAQCO-PMACEKPBSA-N 0 1 415.538 0.894 20 0 HCADMN O=C(CN1CCN([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384699 1073801834 /nfs/dbraw/zinc/80/18/34/1073801834.db2.gz XYUZNBJEBBAQCO-UXHICEINSA-N 0 1 415.538 0.894 20 0 HCADMN O=C(CN1CCN([C@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384700 1073801859 /nfs/dbraw/zinc/80/18/59/1073801859.db2.gz XYUZNBJEBBAQCO-VQTJNVASSA-N 0 1 415.538 0.894 20 0 HCADMN O=C(CN1CCN([C@@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000604384701 1073801908 /nfs/dbraw/zinc/80/19/08/1073801908.db2.gz XYUZNBJEBBAQCO-WOJBJXKFSA-N 0 1 415.538 0.894 20 0 HCADMN 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0.853 20 0 HCADMN O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nn(-c2ccccc2F)cc1[O-] ZINC000604606178 1073821181 /nfs/dbraw/zinc/82/11/81/1073821181.db2.gz FWSLEPNDPYDWFA-OAHLLOKOSA-N 0 1 403.458 0.853 20 0 HCADMN O=C(CNC(=O)c1c(F)cccc1Cl)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604606191 1073821456 /nfs/dbraw/zinc/82/14/56/1073821456.db2.gz GKFRVUZJEHQNNT-AWEZNQCLSA-N 0 1 412.893 0.732 20 0 HCADMN O=C(CNC(=O)c1c(F)cccc1Cl)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604606192 1073821505 /nfs/dbraw/zinc/82/15/05/1073821505.db2.gz GKFRVUZJEHQNNT-CQSZACIVSA-N 0 1 412.893 0.732 20 0 HCADMN COc1ccc2c(c1)ncc(C(=O)N[C@H]1CCN(CCN3CCOCC3)C1)c2O ZINC000604606214 1073821528 /nfs/dbraw/zinc/82/15/28/1073821528.db2.gz HNWBGDROBWEGIH-HNNXBMFYSA-N 0 1 400.479 0.673 20 0 HCADMN COc1ccc2c(c1)ncc(C(=O)N[C@@H]1CCN(CCN3CCOCC3)C1)c2O ZINC000604606215 1073821438 /nfs/dbraw/zinc/82/14/38/1073821438.db2.gz HNWBGDROBWEGIH-OAHLLOKOSA-N 0 1 400.479 0.673 20 0 HCADMN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000604606295 1073820666 /nfs/dbraw/zinc/82/06/66/1073820666.db2.gz NCKSXSHASHHKBI-GOSISDBHSA-N 0 1 404.511 0.338 20 0 HCADMN CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000604606296 1073820715 /nfs/dbraw/zinc/82/07/15/1073820715.db2.gz NCKSXSHASHHKBI-SFHVURJKSA-N 0 1 404.511 0.338 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000604606312 1073820695 /nfs/dbraw/zinc/82/06/95/1073820695.db2.gz OKAXVNQCCFRLOH-HKUYNNGSSA-N 0 1 416.522 0.520 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000604606313 1073820613 /nfs/dbraw/zinc/82/06/13/1073820613.db2.gz OKAXVNQCCFRLOH-IEBWSBKVSA-N 0 1 416.522 0.520 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000604606314 1073820600 /nfs/dbraw/zinc/82/06/00/1073820600.db2.gz OKAXVNQCCFRLOH-MJGOQNOKSA-N 0 1 416.522 0.520 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000604606315 1073820701 /nfs/dbraw/zinc/82/07/01/1073820701.db2.gz OKAXVNQCCFRLOH-PKOBYXMFSA-N 0 1 416.522 0.520 20 0 HCADMN NC(=O)c1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604606346 1073821004 /nfs/dbraw/zinc/82/10/04/1073821004.db2.gz RSKAGIGXVQMGSL-INIZCTEOSA-N 0 1 412.494 0.108 20 0 HCADMN NC(=O)c1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604606347 1073821086 /nfs/dbraw/zinc/82/10/86/1073821086.db2.gz RSKAGIGXVQMGSL-MRXNPFEDSA-N 0 1 412.494 0.108 20 0 HCADMN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604606394 1073821023 /nfs/dbraw/zinc/82/10/23/1073821023.db2.gz VDPBIFLDVPMNKM-CVEARBPZSA-N 0 1 414.510 0.204 20 0 HCADMN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604606395 1073821199 /nfs/dbraw/zinc/82/11/99/1073821199.db2.gz VDPBIFLDVPMNKM-HOTGVXAUSA-N 0 1 414.510 0.204 20 0 HCADMN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604606396 1073821109 /nfs/dbraw/zinc/82/11/09/1073821109.db2.gz VDPBIFLDVPMNKM-HZPDHXFCSA-N 0 1 414.510 0.204 20 0 HCADMN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604606397 1073820987 /nfs/dbraw/zinc/82/09/87/1073820987.db2.gz VDPBIFLDVPMNKM-JKSUJKDBSA-N 0 1 414.510 0.204 20 0 HCADMN CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604606502 1073820627 /nfs/dbraw/zinc/82/06/27/1073820627.db2.gz ZUWFDTXMZVHUMR-QGZVFWFLSA-N 0 1 404.511 0.338 20 0 HCADMN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000604618377 1073822167 /nfs/dbraw/zinc/82/21/67/1073822167.db2.gz RZFZPTNPRXCXRC-MOPGFXCFSA-N 0 1 422.551 0.984 20 0 HCADMN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000604618378 1073822022 /nfs/dbraw/zinc/82/20/22/1073822022.db2.gz RZFZPTNPRXCXRC-OALUTQOASA-N 0 1 422.551 0.984 20 0 HCADMN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000604618379 1073822105 /nfs/dbraw/zinc/82/21/05/1073822105.db2.gz RZFZPTNPRXCXRC-RBUKOAKNSA-N 0 1 422.551 0.984 20 0 HCADMN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000604618380 1073822152 /nfs/dbraw/zinc/82/21/52/1073822152.db2.gz RZFZPTNPRXCXRC-RTBURBONSA-N 0 1 422.551 0.984 20 0 HCADMN NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000604621833 1073822085 /nfs/dbraw/zinc/82/20/85/1073822085.db2.gz DNUOKQGKNYEAPA-DLBZAZTESA-N 0 1 403.483 0.355 20 0 HCADMN NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000604621834 1073822036 /nfs/dbraw/zinc/82/20/36/1073822036.db2.gz DNUOKQGKNYEAPA-IAGOWNOFSA-N 0 1 403.483 0.355 20 0 HCADMN NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000604621835 1073822188 /nfs/dbraw/zinc/82/21/88/1073822188.db2.gz DNUOKQGKNYEAPA-IRXDYDNUSA-N 0 1 403.483 0.355 20 0 HCADMN NC(=O)CCNC(=O)c1cccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000604621836 1073822423 /nfs/dbraw/zinc/82/24/23/1073822423.db2.gz DNUOKQGKNYEAPA-SJORKVTESA-N 0 1 403.483 0.355 20 0 HCADMN O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604631420 1073822443 /nfs/dbraw/zinc/82/24/43/1073822443.db2.gz 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COc1cc(OC)c(OC)cc1CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604634050 1073822877 /nfs/dbraw/zinc/82/28/77/1073822877.db2.gz ZPTUKGOBTVPNEL-KRWDZBQOSA-N 0 1 422.526 0.918 20 0 HCADMN COc1cc(OC)c(OC)cc1CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604634051 1073823000 /nfs/dbraw/zinc/82/30/00/1073823000.db2.gz ZPTUKGOBTVPNEL-QGZVFWFLSA-N 0 1 422.526 0.918 20 0 HCADMN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604635842 1073824079 /nfs/dbraw/zinc/82/40/79/1073824079.db2.gz RPMZCMMMWYNGQE-IBGZPJMESA-N 0 1 403.527 0.480 20 0 HCADMN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604635843 1073824025 /nfs/dbraw/zinc/82/40/25/1073824025.db2.gz RPMZCMMMWYNGQE-LJQANCHMSA-N 0 1 403.527 0.480 20 0 HCADMN O=C(NCc1ccc(Cn2cncn2)cc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604635981 1073823519 /nfs/dbraw/zinc/82/35/19/1073823519.db2.gz ZRCVHRUYYGGXCS-FQEVSTJZSA-N 0 1 413.526 0.532 20 0 HCADMN O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604635982 1073823438 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O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000604669672 1073835506 /nfs/dbraw/zinc/83/55/06/1073835506.db2.gz WJZIWKHDUUNYSA-RBUKOAKNSA-N 0 1 407.559 0.437 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000604669673 1073836030 /nfs/dbraw/zinc/83/60/30/1073836030.db2.gz WJZIWKHDUUNYSA-RTBURBONSA-N 0 1 407.559 0.437 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CCCN(CC(F)(F)F)CC1 ZINC000604669722 1073836060 /nfs/dbraw/zinc/83/60/60/1073836060.db2.gz YRLIHHLMWOOAGV-INIZCTEOSA-N 0 1 407.481 0.673 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCCN(CC(F)(F)F)CC1 ZINC000604669723 1073836144 /nfs/dbraw/zinc/83/61/44/1073836144.db2.gz YRLIHHLMWOOAGV-MRXNPFEDSA-N 0 1 407.481 0.673 20 0 HCADMN CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000604737388 1073851334 /nfs/dbraw/zinc/85/13/34/1073851334.db2.gz KNHZHKJBSIIHBN-UHFFFAOYSA-N 0 1 424.504 0.723 20 0 HCADMN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C(=O)CN(C)C)CC3)CC(=O)N2C)cc1 ZINC000604740664 1073852048 /nfs/dbraw/zinc/85/20/48/1073852048.db2.gz GJZPLLQOLQYDSB-FXAWDEMLSA-N 0 1 402.495 0.447 20 0 HCADMN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C(=O)CN(C)C)CC3)CC(=O)N2C)cc1 ZINC000604740665 1073851942 /nfs/dbraw/zinc/85/19/42/1073851942.db2.gz GJZPLLQOLQYDSB-PXNSSMCTSA-N 0 1 402.495 0.447 20 0 HCADMN COc1ccc([C@H]2[C@H](C(=O)N3CCN(C(=O)CN(C)C)CC3)CC(=O)N2C)cc1 ZINC000604740666 1073851979 /nfs/dbraw/zinc/85/19/79/1073851979.db2.gz GJZPLLQOLQYDSB-XLIONFOSSA-N 0 1 402.495 0.447 20 0 HCADMN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C(=O)CN(C)C)CC3)CC(=O)N2C)cc1 ZINC000604740667 1073852083 /nfs/dbraw/zinc/85/20/83/1073852083.db2.gz GJZPLLQOLQYDSB-YLJYHZDGSA-N 0 1 402.495 0.447 20 0 HCADMN COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CCC[C@H]3C(N)=O)CC(=O)N2C)cc1 ZINC000604744005 1073853359 /nfs/dbraw/zinc/85/33/59/1073853359.db2.gz PNBOGAMQZKBIFF-JENIJYKNSA-N 0 1 402.495 0.671 20 0 HCADMN COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CCC[C@@H]3C(N)=O)CC(=O)N2C)cc1 ZINC000604744011 1073853324 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C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000605022266 1073879001 /nfs/dbraw/zinc/87/90/01/1073879001.db2.gz COAJOMCIDYEKPV-MOPGFXCFSA-N 0 1 414.550 0.825 20 0 HCADMN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000605022267 1073879108 /nfs/dbraw/zinc/87/91/08/1073879108.db2.gz COAJOMCIDYEKPV-OALUTQOASA-N 0 1 414.550 0.825 20 0 HCADMN C[C@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)N1CCc2ccccc2C1 ZINC000605022268 1073878922 /nfs/dbraw/zinc/87/89/22/1073878922.db2.gz COAJOMCIDYEKPV-RBUKOAKNSA-N 0 1 414.550 0.825 20 0 HCADMN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000605022269 1073879078 /nfs/dbraw/zinc/87/90/78/1073879078.db2.gz COAJOMCIDYEKPV-RTBURBONSA-N 0 1 414.550 0.825 20 0 HCADMN Cc1ccc2c([n-]cc(C(=O)N3CCN([C@@H](C)C(=O)N4CCOCC4)CC3)c2=O)[nH+]1 ZINC000605022304 1073879095 /nfs/dbraw/zinc/87/90/95/1073879095.db2.gz IEDFBKMNRVDIMZ-HNNXBMFYSA-N 0 1 413.478 0.649 20 0 HCADMN Cc1ccc2c([n-]cc(C(=O)N3CCN([C@H](C)C(=O)N4CCOCC4)CC3)c2=O)[nH+]1 ZINC000605022305 1073879013 /nfs/dbraw/zinc/87/90/13/1073879013.db2.gz IEDFBKMNRVDIMZ-OAHLLOKOSA-N 0 1 413.478 0.649 20 0 HCADMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)NCc3nnc4ccccn43)CC2)C1 ZINC000605045859 1073881406 /nfs/dbraw/zinc/88/14/06/1073881406.db2.gz SWEQIVVXCIOHQF-KRWDZBQOSA-N 0 1 401.515 0.666 20 0 HCADMN CC(C)N1CCO[C@H](CN2CCN(C(=O)NCc3nnc4ccccn43)CC2)C1 ZINC000605045860 1073881316 /nfs/dbraw/zinc/88/13/16/1073881316.db2.gz SWEQIVVXCIOHQF-QGZVFWFLSA-N 0 1 401.515 0.666 20 0 HCADMN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)N1CCN(C)CC1 ZINC000605062695 1073879652 /nfs/dbraw/zinc/87/96/52/1073879652.db2.gz ABQBALQCIVJTOZ-GOSISDBHSA-N 0 1 401.511 0.299 20 0 HCADMN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)N1CCN(C)CC1 ZINC000605062696 1073879725 /nfs/dbraw/zinc/87/97/25/1073879725.db2.gz ABQBALQCIVJTOZ-SFHVURJKSA-N 0 1 401.511 0.299 20 0 HCADMN CN1CCN(c2cc(CNC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)ccn2)CC1 ZINC000605063182 1073880050 /nfs/dbraw/zinc/88/00/50/1073880050.db2.gz UGEJFVUJQXPDFK-UHFFFAOYSA-N 0 1 422.489 0.374 20 0 HCADMN CN1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)cn2)CC1 ZINC000605063201 1073880062 /nfs/dbraw/zinc/88/00/62/1073880062.db2.gz VDLIVQACSYFCKP-UHFFFAOYSA-N 0 1 422.489 0.374 20 0 HCADMN O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000605064294 1073880249 /nfs/dbraw/zinc/88/02/49/1073880249.db2.gz VOYZFDNWBJGRES-KRWDZBQOSA-N 0 1 400.479 0.624 20 0 HCADMN O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000605064295 1073880378 /nfs/dbraw/zinc/88/03/78/1073880378.db2.gz VOYZFDNWBJGRES-QGZVFWFLSA-N 0 1 400.479 0.624 20 0 HCADMN O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000605064332 1073880263 /nfs/dbraw/zinc/88/02/63/1073880263.db2.gz XFWLTXXRTOZDLP-UHFFFAOYSA-N 0 1 400.479 0.482 20 0 HCADMN CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605064708 1073880272 /nfs/dbraw/zinc/88/02/72/1073880272.db2.gz NGNBWLUXGUYVMG-UHFFFAOYSA-N 0 1 422.489 0.374 20 0 HCADMN COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)c1 ZINC000605065767 1073880664 /nfs/dbraw/zinc/88/06/64/1073880664.db2.gz GGCJWFJSRUFASP-UHFFFAOYSA-N 0 1 409.446 0.663 20 0 HCADMN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000605138523 1073890247 /nfs/dbraw/zinc/89/02/47/1073890247.db2.gz XFFNMFNEZKZLET-HNNXBMFYSA-N 0 1 409.498 0.511 20 0 HCADMN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000605138524 1073890286 /nfs/dbraw/zinc/89/02/86/1073890286.db2.gz XFFNMFNEZKZLET-OAHLLOKOSA-N 0 1 409.498 0.511 20 0 HCADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000605138559 1073890270 /nfs/dbraw/zinc/89/02/70/1073890270.db2.gz YAYQKKDLKAXQOB-CYBMUJFWSA-N 0 1 409.450 0.772 20 0 HCADMN C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000605138560 1073890763 /nfs/dbraw/zinc/89/07/63/1073890763.db2.gz YAYQKKDLKAXQOB-ZDUSSCGKSA-N 0 1 409.450 0.772 20 0 HCADMN CN1CCN(c2cc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)ccn2)CC1 ZINC000605141921 1073891170 /nfs/dbraw/zinc/89/11/70/1073891170.db2.gz NYRWUFAIIYLUBU-UHFFFAOYSA-N 0 1 408.506 0.895 20 0 HCADMN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1nc2ccccc2c(NCCO)n1 ZINC000605148926 1073899491 /nfs/dbraw/zinc/89/94/91/1073899491.db2.gz OVBSWRQPUYAFAD-KRWDZBQOSA-N 0 1 407.522 0.895 20 0 HCADMN C[C@H](CN1CCN(c2ccccn2)CC1)Nc1nc2ccccc2c(NCCO)n1 ZINC000605148927 1073899539 /nfs/dbraw/zinc/89/95/39/1073899539.db2.gz OVBSWRQPUYAFAD-QGZVFWFLSA-N 0 1 407.522 0.895 20 0 HCADMN NC(=O)c1ccc(N2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000605156590 1073901082 /nfs/dbraw/zinc/90/10/82/1073901082.db2.gz AJRWENSRYGEZDN-UHFFFAOYSA-N 0 1 404.492 0.634 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605156700 1073900938 /nfs/dbraw/zinc/90/09/38/1073900938.db2.gz QBXANRRORIBLKK-FQEVSTJZSA-N 0 1 417.554 0.381 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605156701 1073901271 /nfs/dbraw/zinc/90/12/71/1073901271.db2.gz QBXANRRORIBLKK-HXUWFJFHSA-N 0 1 417.554 0.381 20 0 HCADMN NC(=O)c1ccc(N2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000605156781 1073901183 /nfs/dbraw/zinc/90/11/83/1073901183.db2.gz AKRYMLSXMJFJCB-UHFFFAOYSA-N 0 1 423.521 0.436 20 0 HCADMN COc1cc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000605165356 1073893735 /nfs/dbraw/zinc/89/37/35/1073893735.db2.gz NTYKAMLSESDZMV-AWEZNQCLSA-N 0 1 407.858 0.841 20 0 HCADMN COc1cc(CN[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000605165357 1073893647 /nfs/dbraw/zinc/89/36/47/1073893647.db2.gz NTYKAMLSESDZMV-CQSZACIVSA-N 0 1 407.858 0.841 20 0 HCADMN COc1cc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)cc(OC)c1OCC(N)=O ZINC000605165390 1073893744 /nfs/dbraw/zinc/89/37/44/1073893744.db2.gz VWYYXAHTDUJDAW-AWEZNQCLSA-N 0 1 403.439 0.197 20 0 HCADMN COc1cc(CN[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(OC)c1OCC(N)=O ZINC000605165391 1073893682 /nfs/dbraw/zinc/89/36/82/1073893682.db2.gz VWYYXAHTDUJDAW-CQSZACIVSA-N 0 1 403.439 0.197 20 0 HCADMN Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2=O)cn1 ZINC000605169625 1073894621 /nfs/dbraw/zinc/89/46/21/1073894621.db2.gz WOGIKDXUAUEOTI-KRWDZBQOSA-N 0 1 412.498 0.172 20 0 HCADMN Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2=O)cn1 ZINC000605169626 1073894669 /nfs/dbraw/zinc/89/46/69/1073894669.db2.gz WOGIKDXUAUEOTI-QGZVFWFLSA-N 0 1 412.498 0.172 20 0 HCADMN Cn1cc(N2CC[C@H](NC(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2=O)cn1 ZINC000605170501 1073895136 /nfs/dbraw/zinc/89/51/36/1073895136.db2.gz XCHYIOPVXBXBLQ-KRWDZBQOSA-N 0 1 412.498 0.172 20 0 HCADMN Cn1cc(N2CC[C@@H](NC(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2=O)cn1 ZINC000605170502 1073895099 /nfs/dbraw/zinc/89/50/99/1073895099.db2.gz XCHYIOPVXBXBLQ-QGZVFWFLSA-N 0 1 412.498 0.172 20 0 HCADMN Cn1cc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCN(C)CC3)C2=O)cn1 ZINC000605172807 1073895664 /nfs/dbraw/zinc/89/56/64/1073895664.db2.gz VINGCAOHDGAGGN-KRWDZBQOSA-N 0 1 412.498 0.172 20 0 HCADMN Cn1cc(N2CC[C@@H](NC(=O)NCc3cccnc3N3CCN(C)CC3)C2=O)cn1 ZINC000605172808 1073895562 /nfs/dbraw/zinc/89/55/62/1073895562.db2.gz VINGCAOHDGAGGN-QGZVFWFLSA-N 0 1 412.498 0.172 20 0 HCADMN CN1CCN(C)[C@@H](CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000605175164 1073896095 /nfs/dbraw/zinc/89/60/95/1073896095.db2.gz GGMMNTALZDHYOB-IBGZPJMESA-N 0 1 423.583 0.526 20 0 HCADMN CN1CCN(C)[C@H](CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000605175165 1073895979 /nfs/dbraw/zinc/89/59/79/1073895979.db2.gz GGMMNTALZDHYOB-LJQANCHMSA-N 0 1 423.583 0.526 20 0 HCADMN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3CCCCN3C)CC2)cc1 ZINC000605180145 1073898460 /nfs/dbraw/zinc/89/84/60/1073898460.db2.gz MQAFXSZABHVFJS-IBGZPJMESA-N 0 1 408.568 0.902 20 0 HCADMN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CCCCN3C)CC2)cc1 ZINC000605180146 1073898523 /nfs/dbraw/zinc/89/85/23/1073898523.db2.gz MQAFXSZABHVFJS-LJQANCHMSA-N 0 1 408.568 0.902 20 0 HCADMN C[C@](CO)(NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186935 1073909679 /nfs/dbraw/zinc/90/96/79/1073909679.db2.gz DEKVNFWOYOJKKG-CMKODMSKSA-N 0 1 410.536 0.678 20 0 HCADMN C[C@](CO)(NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186936 1073909558 /nfs/dbraw/zinc/90/95/58/1073909558.db2.gz DEKVNFWOYOJKKG-NLWGTHIKSA-N 0 1 410.536 0.678 20 0 HCADMN C[C@](CO)(NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186937 1073909814 /nfs/dbraw/zinc/90/98/14/1073909814.db2.gz DEKVNFWOYOJKKG-QWFCFKBJSA-N 0 1 410.536 0.678 20 0 HCADMN C[C@](CO)(NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000605186938 1073909711 /nfs/dbraw/zinc/90/97/11/1073909711.db2.gz DEKVNFWOYOJKKG-WSTZPKSXSA-N 0 1 410.536 0.678 20 0 HCADMN COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)N(C)C)cc1OC ZINC000605214185 1073904049 /nfs/dbraw/zinc/90/40/49/1073904049.db2.gz ANWSQOIFGKINKT-DLBZAZTESA-N 0 1 408.499 0.853 20 0 HCADMN COc1ccc([C@@H](CNC(=O)N2CCO[C@H](CNC(C)=O)C2)N(C)C)cc1OC ZINC000605214186 1073904123 /nfs/dbraw/zinc/90/41/23/1073904123.db2.gz ANWSQOIFGKINKT-IAGOWNOFSA-N 0 1 408.499 0.853 20 0 HCADMN COc1ccc([C@H](CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)N(C)C)cc1OC ZINC000605214187 1073904023 /nfs/dbraw/zinc/90/40/23/1073904023.db2.gz ANWSQOIFGKINKT-IRXDYDNUSA-N 0 1 408.499 0.853 20 0 HCADMN COc1ccc([C@H](CNC(=O)N2CCO[C@H](CNC(C)=O)C2)N(C)C)cc1OC ZINC000605214188 1073904099 /nfs/dbraw/zinc/90/40/99/1073904099.db2.gz ANWSQOIFGKINKT-SJORKVTESA-N 0 1 408.499 0.853 20 0 HCADMN Cn1cc(N2CC[C@H](NC(=O)NCC3(N4CCOCC4)CCCCC3)C2=O)cn1 ZINC000605214297 1073904876 /nfs/dbraw/zinc/90/48/76/1073904876.db2.gz FWZAEDLGWFIHOO-KRWDZBQOSA-N 0 1 404.515 0.860 20 0 HCADMN Cn1cc(N2CC[C@@H](NC(=O)NCC3(N4CCOCC4)CCCCC3)C2=O)cn1 ZINC000605214298 1073904808 /nfs/dbraw/zinc/90/48/08/1073904808.db2.gz FWZAEDLGWFIHOO-QGZVFWFLSA-N 0 1 404.515 0.860 20 0 HCADMN CC(=O)NC[C@H]1CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000605215220 1073904740 /nfs/dbraw/zinc/90/47/40/1073904740.db2.gz SCXCKGPPJRWONI-FQEVSTJZSA-N 0 1 403.527 0.351 20 0 HCADMN CC(=O)NC[C@@H]1CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000605215221 1073904965 /nfs/dbraw/zinc/90/49/65/1073904965.db2.gz SCXCKGPPJRWONI-HXUWFJFHSA-N 0 1 403.527 0.351 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605215579 1073904682 /nfs/dbraw/zinc/90/46/82/1073904682.db2.gz JQWBGSACNYIPLY-IBGZPJMESA-N 0 1 403.527 0.974 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605215580 1073904776 /nfs/dbraw/zinc/90/47/76/1073904776.db2.gz JQWBGSACNYIPLY-LJQANCHMSA-N 0 1 403.527 0.974 20 0 HCADMN CN1CCN(C(C)(C)CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000605217099 1073904899 /nfs/dbraw/zinc/90/48/99/1073904899.db2.gz ABWUKGCQIZDCIR-UHFFFAOYSA-N 0 1 402.543 0.643 20 0 HCADMN CC(=O)NC[C@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000605219383 1073906970 /nfs/dbraw/zinc/90/69/70/1073906970.db2.gz OBBOXGMVOQWSPL-FQEVSTJZSA-N 0 1 403.527 0.745 20 0 HCADMN CC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000605219384 1073906946 /nfs/dbraw/zinc/90/69/46/1073906946.db2.gz OBBOXGMVOQWSPL-HXUWFJFHSA-N 0 1 403.527 0.745 20 0 HCADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)n[nH]2)cc1 ZINC000605231622 1073939716 /nfs/dbraw/zinc/93/97/16/1073939716.db2.gz CMJHXHCBLZGAII-HNNXBMFYSA-N 0 1 410.438 0.819 20 0 HCADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)n2)cc1 ZINC000605231622 1073939710 /nfs/dbraw/zinc/93/97/10/1073939710.db2.gz CMJHXHCBLZGAII-HNNXBMFYSA-N 0 1 410.438 0.819 20 0 HCADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)n[nH]2)cc1 ZINC000605231623 1073939569 /nfs/dbraw/zinc/93/95/69/1073939569.db2.gz CMJHXHCBLZGAII-OAHLLOKOSA-N 0 1 410.438 0.819 20 0 HCADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)n2)cc1 ZINC000605231623 1073939560 /nfs/dbraw/zinc/93/95/60/1073939560.db2.gz CMJHXHCBLZGAII-OAHLLOKOSA-N 0 1 410.438 0.819 20 0 HCADMN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000605233685 1073941288 /nfs/dbraw/zinc/94/12/88/1073941288.db2.gz WBYCQCSRFRQXLJ-UHFFFAOYSA-N 0 1 410.540 0.849 20 0 HCADMN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000605233693 1073940992 /nfs/dbraw/zinc/94/09/92/1073940992.db2.gz WLYVWGKCRBNQJT-AABGKKOBSA-N 0 1 416.570 0.833 20 0 HCADMN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000605233694 1073941141 /nfs/dbraw/zinc/94/11/41/1073941141.db2.gz WLYVWGKCRBNQJT-AQNXPRMDSA-N 0 1 416.570 0.833 20 0 HCADMN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000605233695 1073941384 /nfs/dbraw/zinc/94/13/84/1073941384.db2.gz WLYVWGKCRBNQJT-HSALFYBXSA-N 0 1 416.570 0.833 20 0 HCADMN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000605233696 1073941194 /nfs/dbraw/zinc/94/11/94/1073941194.db2.gz WLYVWGKCRBNQJT-VAMGGRTRSA-N 0 1 416.570 0.833 20 0 HCADMN O=C(NCCN1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000605240458 1073914351 /nfs/dbraw/zinc/91/43/51/1073914351.db2.gz BLLCDBNYRGFLFD-INIZCTEOSA-N 0 1 409.508 0.790 20 0 HCADMN O=C(NCCN1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000605240459 1073914637 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000606121884 1074103108 /nfs/dbraw/zinc/10/31/08/1074103108.db2.gz QABJADQUQUKBQR-KRWDZBQOSA-N 0 1 412.494 0.884 20 0 HCADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000606121891 1074103177 /nfs/dbraw/zinc/10/31/77/1074103177.db2.gz QABJADQUQUKBQR-QGZVFWFLSA-N 0 1 412.494 0.884 20 0 HCADMN CN(C)C(=O)c1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)ccc1Cl ZINC000606121908 1074103193 /nfs/dbraw/zinc/10/31/93/1074103193.db2.gz RDGVKPYLPGVZBH-HNNXBMFYSA-N 0 1 423.901 0.436 20 0 HCADMN CN(C)C(=O)c1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)ccc1Cl ZINC000606121921 1074102502 /nfs/dbraw/zinc/10/25/02/1074102502.db2.gz RDGVKPYLPGVZBH-OAHLLOKOSA-N 0 1 423.901 0.436 20 0 HCADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000606121933 1074102347 /nfs/dbraw/zinc/10/23/47/1074102347.db2.gz RUKHHXDQUMTNMQ-INIZCTEOSA-N 0 1 403.483 0.091 20 0 HCADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000606121945 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ZINC000606126616 1074138975 /nfs/dbraw/zinc/13/89/75/1074138975.db2.gz XPKZBPYTQHKTPW-UHFFFAOYSA-N 0 1 412.381 0.973 20 0 HCADMN NC(=O)COc1cccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000606127260 1074140930 /nfs/dbraw/zinc/14/09/30/1074140930.db2.gz AJPLZUJAPHTWRU-UHFFFAOYSA-N 0 1 412.381 0.730 20 0 HCADMN NC(=O)COc1cccc(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000606127260 1074140923 /nfs/dbraw/zinc/14/09/23/1074140923.db2.gz AJPLZUJAPHTWRU-UHFFFAOYSA-N 0 1 412.381 0.730 20 0 HCADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000606127621 1074140483 /nfs/dbraw/zinc/14/04/83/1074140483.db2.gz LYNHXJPVQLMUHJ-UHFFFAOYSA-N 0 1 407.369 0.841 20 0 HCADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000606127621 1074140481 /nfs/dbraw/zinc/14/04/81/1074140481.db2.gz LYNHXJPVQLMUHJ-UHFFFAOYSA-N 0 1 407.369 0.841 20 0 HCADMN NC(=O)COc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000606127634 1074140423 /nfs/dbraw/zinc/14/04/23/1074140423.db2.gz 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YKNCGGIBDNGSKN-ZLDLUXBVSA-N 0 1 402.517 0.262 20 0 HCADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)CC1 ZINC000608224977 1074399881 /nfs/dbraw/zinc/39/98/81/1074399881.db2.gz ABTBBELLRBGQNF-SFHVURJKSA-N 0 1 410.540 0.675 20 0 HCADMN CN1CCN(CCOc2ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000608225090 1074399840 /nfs/dbraw/zinc/39/98/40/1074399840.db2.gz BTDJDHUGHBFSKH-UHFFFAOYSA-N 0 1 412.556 0.969 20 0 HCADMN C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000608227876 1074400579 /nfs/dbraw/zinc/40/05/79/1074400579.db2.gz IYCOGTUZUCROLN-BLLLJJGKSA-N 0 1 409.450 0.727 20 0 HCADMN C[C@H]1C[C@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000608227877 1074400650 /nfs/dbraw/zinc/40/06/50/1074400650.db2.gz IYCOGTUZUCROLN-LRDDRELGSA-N 0 1 409.450 0.727 20 0 HCADMN C[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000608227878 1074401385 /nfs/dbraw/zinc/40/13/85/1074401385.db2.gz IYCOGTUZUCROLN-MLGOLLRUSA-N 0 1 409.450 0.727 20 0 HCADMN C[C@@H]1C[C@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000608227879 1074401425 /nfs/dbraw/zinc/40/14/25/1074401425.db2.gz IYCOGTUZUCROLN-WBMJQRKESA-N 0 1 409.450 0.727 20 0 HCADMN C[C@@H]1C[C@H](NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C(=O)N1c1cnn(C)c1 ZINC000608231146 1074404253 /nfs/dbraw/zinc/40/42/53/1074404253.db2.gz FOXKUNVIULKPHB-PXAZEXFGSA-N 0 1 422.445 0.302 20 0 HCADMN C[C@H]1C[C@H](NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C(=O)N1c1cnn(C)c1 ZINC000608231153 1074404152 /nfs/dbraw/zinc/40/41/52/1074404152.db2.gz FOXKUNVIULKPHB-SJCJKPOMSA-N 0 1 422.445 0.302 20 0 HCADMN C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C(=O)N1c1cnn(C)c1 ZINC000608231156 1074404280 /nfs/dbraw/zinc/40/42/80/1074404280.db2.gz FOXKUNVIULKPHB-SJKOYZFVSA-N 0 1 422.445 0.302 20 0 HCADMN C[C@H]1C[C@@H](NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C(=O)N1c1cnn(C)c1 ZINC000608231157 1074404179 /nfs/dbraw/zinc/40/41/79/1074404179.db2.gz FOXKUNVIULKPHB-YVEFUNNKSA-N 0 1 422.445 0.302 20 0 HCADMN Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cnccc2N2CC[NH+](C)CC2)c1 ZINC000608258060 1074413487 /nfs/dbraw/zinc/41/34/87/1074413487.db2.gz IUXIEWKNEQKWCP-UHFFFAOYSA-N 0 1 414.495 0.825 20 0 HCADMN CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOC)cc1 ZINC000608258373 1074413621 /nfs/dbraw/zinc/41/36/21/1074413621.db2.gz RKXJBMBNTVARPX-HNNXBMFYSA-N 0 1 405.542 0.837 20 0 HCADMN CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCOC)cc1 ZINC000608258374 1074413546 /nfs/dbraw/zinc/41/35/46/1074413546.db2.gz RKXJBMBNTVARPX-OAHLLOKOSA-N 0 1 405.542 0.837 20 0 HCADMN CCCN1CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC000608304817 1074419448 /nfs/dbraw/zinc/41/94/48/1074419448.db2.gz QTSFDMMKCXZFGR-UHFFFAOYSA-N 0 1 410.544 0.723 20 0 HCADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000608356554 1074425575 /nfs/dbraw/zinc/42/55/75/1074425575.db2.gz PPUOSUGTVBSTAM-BXUZGUMPSA-N 0 1 418.483 0.123 20 0 HCADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000608356565 1074425525 /nfs/dbraw/zinc/42/55/25/1074425525.db2.gz PPUOSUGTVBSTAM-FZMZJTMJSA-N 0 1 418.483 0.123 20 0 HCADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000608356567 1074425640 /nfs/dbraw/zinc/42/56/40/1074425640.db2.gz PPUOSUGTVBSTAM-RISCZKNCSA-N 0 1 418.483 0.123 20 0 HCADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000608356568 1074425479 /nfs/dbraw/zinc/42/54/79/1074425479.db2.gz PPUOSUGTVBSTAM-SMDDNHRTSA-N 0 1 418.483 0.123 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000608365308 1074426686 /nfs/dbraw/zinc/42/66/86/1074426686.db2.gz GGAHLQJOBCYVBL-MOPGFXCFSA-N 0 1 414.506 0.028 20 0 HCADMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000608365309 1074426314 /nfs/dbraw/zinc/42/63/14/1074426314.db2.gz GGAHLQJOBCYVBL-OALUTQOASA-N 0 1 414.506 0.028 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000608365310 1074426387 /nfs/dbraw/zinc/42/63/87/1074426387.db2.gz GGAHLQJOBCYVBL-RBUKOAKNSA-N 0 1 414.506 0.028 20 0 HCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000608365311 1074426468 /nfs/dbraw/zinc/42/64/68/1074426468.db2.gz GGAHLQJOBCYVBL-RTBURBONSA-N 0 1 414.506 0.028 20 0 HCADMN O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1nnnn1C1CC1 ZINC000608424477 1074436145 /nfs/dbraw/zinc/43/61/45/1074436145.db2.gz VTAYQPUXPDIHNG-UHFFFAOYSA-N 0 1 400.491 0.200 20 0 HCADMN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000608466205 1074446430 /nfs/dbraw/zinc/44/64/30/1074446430.db2.gz PQXUAEPBHJJNKW-DOTOQJQBSA-N 0 1 423.535 0.737 20 0 HCADMN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000608466206 1074446581 /nfs/dbraw/zinc/44/65/81/1074446581.db2.gz PQXUAEPBHJJNKW-RDJZCZTQSA-N 0 1 423.535 0.737 20 0 HCADMN COc1ccc(C(=O)NCC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1OC ZINC000608475404 1074441363 /nfs/dbraw/zinc/44/13/63/1074441363.db2.gz JSFQKTQBGGKPMP-KRWDZBQOSA-N 0 1 406.527 0.822 20 0 HCADMN COc1ccc(C(=O)NCC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1OC ZINC000608475405 1074442209 /nfs/dbraw/zinc/44/22/09/1074442209.db2.gz JSFQKTQBGGKPMP-QGZVFWFLSA-N 0 1 406.527 0.822 20 0 HCADMN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000608475838 1074442176 /nfs/dbraw/zinc/44/21/76/1074442176.db2.gz PXQBIWKLJBOLKL-MEDUHNTESA-N 0 1 421.479 0.583 20 0 HCADMN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000608475839 1074442045 /nfs/dbraw/zinc/44/20/45/1074442045.db2.gz PXQBIWKLJBOLKL-ZBEGNZNMSA-N 0 1 421.479 0.583 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608485030 1074453269 /nfs/dbraw/zinc/45/32/69/1074453269.db2.gz ZUUNSPDKCXKETF-BFQNTYOBSA-N 0 1 409.450 0.725 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608485031 1074453204 /nfs/dbraw/zinc/45/32/04/1074453204.db2.gz ZUUNSPDKCXKETF-MKBNYLNASA-N 0 1 409.450 0.725 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608485032 1074453244 /nfs/dbraw/zinc/45/32/44/1074453244.db2.gz ZUUNSPDKCXKETF-MQIPJXDCSA-N 0 1 409.450 0.725 20 0 HCADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608485033 1074453404 /nfs/dbraw/zinc/45/34/04/1074453404.db2.gz ZUUNSPDKCXKETF-WQGACYEGSA-N 0 1 409.450 0.725 20 0 HCADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCCCn1cncn1 ZINC000608512468 1074449011 /nfs/dbraw/zinc/44/90/11/1074449011.db2.gz DNMOMKZQHISWEM-UHFFFAOYSA-N 0 1 415.498 0.574 20 0 HCADMN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)cc21 ZINC000608514168 1074449877 /nfs/dbraw/zinc/44/98/77/1074449877.db2.gz CLKAJBIRMOFNAI-INIZCTEOSA-N 0 1 416.478 0.694 20 0 HCADMN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCCN(C[C@H]4CCCO4)CC3)cc21 ZINC000608514169 1074449684 /nfs/dbraw/zinc/44/96/84/1074449684.db2.gz CLKAJBIRMOFNAI-MRXNPFEDSA-N 0 1 416.478 0.694 20 0 HCADMN CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000608514277 1074450535 /nfs/dbraw/zinc/45/05/35/1074450535.db2.gz AFLDEKVRDURNFT-UHFFFAOYSA-N 0 1 416.526 0.687 20 0 HCADMN CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000608514302 1074449820 /nfs/dbraw/zinc/44/98/20/1074449820.db2.gz GQDUZIKYJJUWAI-UHFFFAOYSA-N 0 1 403.483 0.123 20 0 HCADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N(CC)CC(=O)N(C)C ZINC000608514489 1074449931 /nfs/dbraw/zinc/44/99/31/1074449931.db2.gz FIFOLFIPJQIALR-UHFFFAOYSA-N 0 1 419.526 0.712 20 0 HCADMN CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000608514499 1074449973 /nfs/dbraw/zinc/44/99/73/1074449973.db2.gz HSWQLCXUVYXLOE-UHFFFAOYSA-N 0 1 419.526 0.188 20 0 HCADMN Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)no1 ZINC000608516189 1074451263 /nfs/dbraw/zinc/45/12/63/1074451263.db2.gz BKGWYZJDCGTTGF-UHFFFAOYSA-N 0 1 401.467 0.864 20 0 HCADMN O=C(NCc1nn[nH]n1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000608520783 1074461799 /nfs/dbraw/zinc/46/17/99/1074461799.db2.gz WPKLXVSJOHMMKU-UHFFFAOYSA-N 0 1 419.243 0.656 20 0 HCADMN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000608521246 1074461697 /nfs/dbraw/zinc/46/16/97/1074461697.db2.gz DRWIMLRPVPFYLM-HNNXBMFYSA-N 0 1 406.508 0.763 20 0 HCADMN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000608521247 1074461819 /nfs/dbraw/zinc/46/18/19/1074461819.db2.gz DRWIMLRPVPFYLM-OAHLLOKOSA-N 0 1 406.508 0.763 20 0 HCADMN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000608532336 1074454170 /nfs/dbraw/zinc/45/41/70/1074454170.db2.gz KBPSHTQRTVBIDD-KRWDZBQOSA-N 0 1 411.506 0.485 20 0 HCADMN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000608532339 1074454049 /nfs/dbraw/zinc/45/40/49/1074454049.db2.gz KBPSHTQRTVBIDD-QGZVFWFLSA-N 0 1 411.506 0.485 20 0 HCADMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000608532425 1074453994 /nfs/dbraw/zinc/45/39/94/1074453994.db2.gz 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CCN1CCN([C@H]2CCN(C(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)CC1 ZINC000609321780 1079214072 /nfs/dbraw/zinc/21/40/72/1079214072.db2.gz WPQIEESJELOXAY-KRWDZBQOSA-N 0 1 404.511 0.672 20 0 HCADMN CCN1CCN([C@@H]2CCN(C(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)CC1 ZINC000609321781 1079214162 /nfs/dbraw/zinc/21/41/62/1079214162.db2.gz WPQIEESJELOXAY-QGZVFWFLSA-N 0 1 404.511 0.672 20 0 HCADMN CCN1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)C2)CC1 ZINC000609321797 1079214005 /nfs/dbraw/zinc/21/40/05/1079214005.db2.gz XKHIOGJHSAFKAY-GOSISDBHSA-N 0 1 422.551 0.406 20 0 HCADMN CCN1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)C2)CC1 ZINC000609321799 1079214052 /nfs/dbraw/zinc/21/40/52/1079214052.db2.gz XKHIOGJHSAFKAY-SFHVURJKSA-N 0 1 422.551 0.406 20 0 HCADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 ZINC000609323349 1079223306 /nfs/dbraw/zinc/22/33/06/1079223306.db2.gz NBLRETFORHBIQJ-UHFFFAOYSA-N 0 1 404.448 0.995 20 0 HCADMN CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC(=O)OC)c3)C2)CC1 ZINC000609323658 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COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cc1 ZINC000618487441 1078862642 /nfs/dbraw/zinc/86/26/42/1078862642.db2.gz CRVHWGKPJFFICL-MRXNPFEDSA-N 0 1 416.463 0.644 20 0 HCADMN COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c1 ZINC000618487764 1078862685 /nfs/dbraw/zinc/86/26/85/1078862685.db2.gz DXSMPJVQNKHOSQ-INIZCTEOSA-N 0 1 416.463 0.644 20 0 HCADMN COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c1 ZINC000618487765 1078862946 /nfs/dbraw/zinc/86/29/46/1078862946.db2.gz DXSMPJVQNKHOSQ-MRXNPFEDSA-N 0 1 416.463 0.644 20 0 HCADMN COc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000618488031 1078862704 /nfs/dbraw/zinc/86/27/04/1078862704.db2.gz KBBIXINTVILLAY-INIZCTEOSA-N 0 1 416.463 0.978 20 0 HCADMN COc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000618488032 1078862656 /nfs/dbraw/zinc/86/26/56/1078862656.db2.gz KBBIXINTVILLAY-MRXNPFEDSA-N 0 1 416.463 0.978 20 0 HCADMN CN(C)[C@@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccs1 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/nfs/dbraw/zinc/92/00/36/1078920036.db2.gz WKMYRKNHPCAHKA-QGZVFWFLSA-N 0 1 402.495 0.289 20 0 HCADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000619608167 1078919928 /nfs/dbraw/zinc/91/99/28/1078919928.db2.gz AJQBOTYTSSGELK-UHFFFAOYSA-N 0 1 417.554 0.855 20 0 HCADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000619608186 1078920050 /nfs/dbraw/zinc/92/00/50/1078920050.db2.gz MSWKXHGHUDIQAY-UHFFFAOYSA-N 0 1 424.933 0.593 20 0 HCADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1csc(-c2ncccn2)n1 ZINC000619608250 1078920114 /nfs/dbraw/zinc/92/01/14/1078920114.db2.gz FAWBWVRKYRENQC-UHFFFAOYSA-N 0 1 404.496 0.463 20 0 HCADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(N2CCNC2=O)c(C)c1 ZINC000619608263 1078920004 /nfs/dbraw/zinc/92/00/04/1078920004.db2.gz NJRRJRUNGZWCHF-UHFFFAOYSA-N 0 1 417.510 0.387 20 0 HCADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCn1cc(Br)cn1 ZINC000619608305 1078920076 /nfs/dbraw/zinc/92/00/76/1078920076.db2.gz IFXGVYIUGQQKDO-UHFFFAOYSA-N 0 1 416.320 0.285 20 0 HCADMN 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COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)N(C)C)cc1OC ZINC000670533847 1078674743 /nfs/dbraw/zinc/67/47/43/1078674743.db2.gz OLIHXMRYIHTPNJ-QOKNQOGYSA-N 0 1 422.526 0.258 20 0 HCADMN COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)N(C)C)cc1OC ZINC000670533848 1078674824 /nfs/dbraw/zinc/67/48/24/1078674824.db2.gz OLIHXMRYIHTPNJ-SIXWZSSISA-N 0 1 422.526 0.258 20 0 HCADMN COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)N(C)C)cc1OC ZINC000670533849 1078674682 /nfs/dbraw/zinc/67/46/82/1078674682.db2.gz OLIHXMRYIHTPNJ-URLQWDBASA-N 0 1 422.526 0.258 20 0 HCADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534070 1078674116 /nfs/dbraw/zinc/67/41/16/1078674116.db2.gz SGCGHOYOSUTJGC-APWZRJJASA-N 0 1 406.502 0.868 20 0 HCADMN C[C@H]1CCN(C)CCN1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534071 1078674670 /nfs/dbraw/zinc/67/46/70/1078674670.db2.gz SGCGHOYOSUTJGC-LPHOPBHVSA-N 0 1 406.502 0.868 20 0 HCADMN C[C@H]1CCN(C)CCN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534072 1078673003 /nfs/dbraw/zinc/67/30/03/1078673003.db2.gz SGCGHOYOSUTJGC-QFBILLFUSA-N 0 1 406.502 0.868 20 0 HCADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000670534073 1078673057 /nfs/dbraw/zinc/67/30/57/1078673057.db2.gz SGCGHOYOSUTJGC-VQIMIIECSA-N 0 1 406.502 0.868 20 0 HCADMN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000670534697 1078678436 /nfs/dbraw/zinc/67/84/36/1078678436.db2.gz SYNOSFHMYORFTP-MRXNPFEDSA-N 0 1 423.583 0.480 20 0 HCADMN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000670535227 1078668852 /nfs/dbraw/zinc/66/88/52/1078668852.db2.gz BESKSBAEFIKRNB-HNNXBMFYSA-N 0 1 410.540 0.468 20 0 HCADMN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000670535228 1078668906 /nfs/dbraw/zinc/66/89/06/1078668906.db2.gz BESKSBAEFIKRNB-OAHLLOKOSA-N 0 1 410.540 0.468 20 0 HCADMN Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000670535373 1078667814 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HCADMN COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)N1CCCC1 ZINC000670605768 1078958480 /nfs/dbraw/zinc/95/84/80/1078958480.db2.gz YWXSJWWMVGKNMJ-DOTOQJQBSA-N 0 1 402.495 0.685 20 0 HCADMN COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)N1CCCC1 ZINC000670605769 1078958272 /nfs/dbraw/zinc/95/82/72/1078958272.db2.gz YWXSJWWMVGKNMJ-NVXWUHKLSA-N 0 1 402.495 0.685 20 0 HCADMN COc1ccccc1[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)N1CCCC1 ZINC000670605771 1078958501 /nfs/dbraw/zinc/95/85/01/1078958501.db2.gz YWXSJWWMVGKNMJ-WBVHZDCISA-N 0 1 402.495 0.685 20 0 HCADMN COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)N1CCCC1 ZINC000670605894 1078959021 /nfs/dbraw/zinc/95/90/21/1078959021.db2.gz PSCWPAQTWKYPNF-IMFGXOCKSA-N 0 1 418.538 0.784 20 0 HCADMN COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)N1CCCC1 ZINC000670605895 1078959193 /nfs/dbraw/zinc/95/91/93/1078959193.db2.gz PSCWPAQTWKYPNF-KPFFTGBYSA-N 0 1 418.538 0.784 20 0 HCADMN COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)N1CCCC1 ZINC000670605896 1078959042 /nfs/dbraw/zinc/95/90/42/1078959042.db2.gz PSCWPAQTWKYPNF-QRFRQXIXSA-N 0 1 418.538 0.784 20 0 HCADMN COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)N1CCCC1 ZINC000670605897 1078958966 /nfs/dbraw/zinc/95/89/66/1078958966.db2.gz PSCWPAQTWKYPNF-XKGZKEIXSA-N 0 1 418.538 0.784 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)NCCCN2CCCCC2=O)N(C)C)c1 ZINC000670622010 1079024863 /nfs/dbraw/zinc/02/48/63/1079024863.db2.gz FGGDBBIRHZIALW-GOSISDBHSA-N 0 1 404.511 0.933 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)NCCCN2CCCCC2=O)N(C)C)c1 ZINC000670622011 1079024917 /nfs/dbraw/zinc/02/49/17/1079024917.db2.gz FGGDBBIRHZIALW-SFHVURJKSA-N 0 1 404.511 0.933 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)N(C)C)c1 ZINC000670622076 1079024901 /nfs/dbraw/zinc/02/49/01/1079024901.db2.gz MGDUQOYAHIPALZ-FHWLQOOXSA-N 0 1 405.495 0.821 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)N(C)C)c1 ZINC000670622077 1079024790 /nfs/dbraw/zinc/02/47/90/1079024790.db2.gz MGDUQOYAHIPALZ-GBESFXJTSA-N 0 1 405.495 0.821 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)N(C)C)c1 ZINC000670622078 1079024980 /nfs/dbraw/zinc/02/49/80/1079024980.db2.gz MGDUQOYAHIPALZ-IPMKNSEASA-N 0 1 405.495 0.821 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)N(C)C)c1 ZINC000670622079 1079024848 /nfs/dbraw/zinc/02/48/48/1079024848.db2.gz MGDUQOYAHIPALZ-OTWHNJEPSA-N 0 1 405.495 0.821 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)N(C)C)c1 ZINC000670622136 1079024508 /nfs/dbraw/zinc/02/45/08/1079024508.db2.gz TWVBCLUPVYPPOD-PMACEKPBSA-N 0 1 418.538 0.737 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)N(C)C)c1 ZINC000670622137 1079024373 /nfs/dbraw/zinc/02/43/73/1079024373.db2.gz TWVBCLUPVYPPOD-UXHICEINSA-N 0 1 418.538 0.737 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)N(C)C)c1 ZINC000670622138 1079024457 /nfs/dbraw/zinc/02/44/57/1079024457.db2.gz TWVBCLUPVYPPOD-VQTJNVASSA-N 0 1 418.538 0.737 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)N(C)C)c1 ZINC000670622139 1079024293 /nfs/dbraw/zinc/02/42/93/1079024293.db2.gz TWVBCLUPVYPPOD-WOJBJXKFSA-N 0 1 418.538 0.737 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCC(OCCCO)CC2)N(C)C)c1 ZINC000670622402 1079023064 /nfs/dbraw/zinc/02/30/64/1079023064.db2.gz NIEGOIWDUBXDSP-IBGZPJMESA-N 0 1 407.511 0.804 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(OCCCO)CC2)N(C)C)c1 ZINC000670622403 1079023622 /nfs/dbraw/zinc/02/36/22/1079023622.db2.gz NIEGOIWDUBXDSP-LJQANCHMSA-N 0 1 407.511 0.804 20 0 HCADMN CCCN1CCCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC000670622550 1079023178 /nfs/dbraw/zinc/02/31/78/1079023178.db2.gz HDOMHKSWKKGDNT-GOSISDBHSA-N 0 1 404.511 0.885 20 0 HCADMN CCCN1CCCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC000670622551 1079023026 /nfs/dbraw/zinc/02/30/26/1079023026.db2.gz HDOMHKSWKKGDNT-SFHVURJKSA-N 0 1 404.511 0.885 20 0 HCADMN Cc1c([C@H](C)NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)cnn1C ZINC000670623384 1079026905 /nfs/dbraw/zinc/02/69/05/1079026905.db2.gz MTZBGHKXACTMLX-KRWDZBQOSA-N 0 1 412.538 0.840 20 0 HCADMN Cc1c([C@@H](C)NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)cnn1C ZINC000670623385 1079026761 /nfs/dbraw/zinc/02/67/61/1079026761.db2.gz MTZBGHKXACTMLX-QGZVFWFLSA-N 0 1 412.538 0.840 20 0 HCADMN C[C@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000670623498 1079026000 /nfs/dbraw/zinc/02/60/00/1079026000.db2.gz GLLSELNREVHHGL-AZUAARDMSA-N 0 1 402.539 0.994 20 0 HCADMN C[C@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000670623499 1079025897 /nfs/dbraw/zinc/02/58/97/1079025897.db2.gz GLLSELNREVHHGL-ICSRJNTNSA-N 0 1 402.539 0.994 20 0 HCADMN C[C@@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000670623500 1079025839 /nfs/dbraw/zinc/02/58/39/1079025839.db2.gz GLLSELNREVHHGL-QUCCMNQESA-N 0 1 402.539 0.994 20 0 HCADMN C[C@@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000670623501 1079026047 /nfs/dbraw/zinc/02/60/47/1079026047.db2.gz GLLSELNREVHHGL-UYAOXDASSA-N 0 1 402.539 0.994 20 0 HCADMN CC(C)(C)CN(CCO)C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623502 1079025986 /nfs/dbraw/zinc/02/59/86/1079025986.db2.gz GNYYJJCGOMWDHV-UHFFFAOYSA-N 0 1 404.555 0.787 20 0 HCADMN C[C@@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000670623503 1079025685 /nfs/dbraw/zinc/02/56/85/1079025685.db2.gz GSWBHZXHNCUSSF-GOSISDBHSA-N 0 1 402.539 0.852 20 0 HCADMN C[C@H](NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000670623504 1079025789 /nfs/dbraw/zinc/02/57/89/1079025789.db2.gz GSWBHZXHNCUSSF-SFHVURJKSA-N 0 1 402.539 0.852 20 0 HCADMN COc1ncccc1CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623522 1079025724 /nfs/dbraw/zinc/02/57/24/1079025724.db2.gz MVOTVZJRICAIEW-UHFFFAOYSA-N 0 1 411.506 0.640 20 0 HCADMN C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623541 1079026276 /nfs/dbraw/zinc/02/62/76/1079026276.db2.gz PRNGZKAJURBSHG-AZUAARDMSA-N 0 1 402.539 0.852 20 0 HCADMN C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623542 1079026262 /nfs/dbraw/zinc/02/62/62/1079026262.db2.gz PRNGZKAJURBSHG-ICSRJNTNSA-N 0 1 402.539 0.852 20 0 HCADMN C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623543 1079026317 /nfs/dbraw/zinc/02/63/17/1079026317.db2.gz PRNGZKAJURBSHG-QUCCMNQESA-N 0 1 402.539 0.852 20 0 HCADMN C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623544 1079026405 /nfs/dbraw/zinc/02/64/05/1079026405.db2.gz PRNGZKAJURBSHG-UYAOXDASSA-N 0 1 402.539 0.852 20 0 HCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000670623589 1079031106 /nfs/dbraw/zinc/03/11/06/1079031106.db2.gz AVAIGDUYTISOFR-JOCHJYFZSA-N 0 1 400.523 0.559 20 0 HCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000670623590 1079031145 /nfs/dbraw/zinc/03/11/45/1079031145.db2.gz AVAIGDUYTISOFR-QFIPXVFZSA-N 0 1 400.523 0.559 20 0 HCADMN COc1cccc(CNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000670623613 1079031130 /nfs/dbraw/zinc/03/11/30/1079031130.db2.gz FHHOMPVEFURENX-UHFFFAOYSA-N 0 1 411.506 0.640 20 0 HCADMN COC1(CNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000670623634 1079031362 /nfs/dbraw/zinc/03/13/62/1079031362.db2.gz JRMPTGKKIDUQRH-UHFFFAOYSA-N 0 1 418.538 0.232 20 0 HCADMN CO[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000670623645 1079031163 /nfs/dbraw/zinc/03/11/63/1079031163.db2.gz LIUGSYMGMVCQJT-MOPGFXCFSA-N 0 1 402.539 0.850 20 0 HCADMN CO[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000670623646 1079031761 /nfs/dbraw/zinc/03/17/61/1079031761.db2.gz LIUGSYMGMVCQJT-OALUTQOASA-N 0 1 402.539 0.850 20 0 HCADMN CO[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000670623647 1079031655 /nfs/dbraw/zinc/03/16/55/1079031655.db2.gz LIUGSYMGMVCQJT-RBUKOAKNSA-N 0 1 402.539 0.850 20 0 HCADMN CO[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000670623648 1079031777 /nfs/dbraw/zinc/03/17/77/1079031777.db2.gz LIUGSYMGMVCQJT-RTBURBONSA-N 0 1 402.539 0.850 20 0 HCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000670623737 1079030641 /nfs/dbraw/zinc/03/06/41/1079030641.db2.gz IXKAFKOLCHBBGE-NRFANRHFSA-N 0 1 424.549 0.981 20 0 HCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000670623738 1079030820 /nfs/dbraw/zinc/03/08/20/1079030820.db2.gz IXKAFKOLCHBBGE-OAQYLSRUSA-N 0 1 424.549 0.981 20 0 HCADMN CCO[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000670623749 1079030584 /nfs/dbraw/zinc/03/05/84/1079030584.db2.gz MBXKVANSFFUVSL-FQEVSTJZSA-N 0 1 402.539 0.948 20 0 HCADMN CCO[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000670623750 1079030595 /nfs/dbraw/zinc/03/05/95/1079030595.db2.gz MBXKVANSFFUVSL-HXUWFJFHSA-N 0 1 402.539 0.948 20 0 HCADMN CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623769 1079030738 /nfs/dbraw/zinc/03/07/38/1079030738.db2.gz POUHQILGCRFPER-FQEVSTJZSA-N 0 1 402.539 0.805 20 0 HCADMN CCN(C[C@H]1CCOC1)C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623770 1079030802 /nfs/dbraw/zinc/03/08/02/1079030802.db2.gz POUHQILGCRFPER-HXUWFJFHSA-N 0 1 402.539 0.805 20 0 HCADMN Cc1cn2c(n1)CN(C(=O)C(=O)NCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000670623813 1079030666 /nfs/dbraw/zinc/03/06/66/1079030666.db2.gz YUWZJXJFRBZTQW-UHFFFAOYSA-N 0 1 410.522 0.468 20 0 HCADMN NC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)cn1 ZINC000670625226 1079029936 /nfs/dbraw/zinc/02/99/36/1079029936.db2.gz HVIJGLWACIWBAQ-HNNXBMFYSA-N 0 1 401.492 0.812 20 0 HCADMN NC(=O)c1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cn1 ZINC000670625227 1079029739 /nfs/dbraw/zinc/02/97/39/1079029739.db2.gz HVIJGLWACIWBAQ-OAHLLOKOSA-N 0 1 401.492 0.812 20 0 HCADMN CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000670625444 1079029918 /nfs/dbraw/zinc/02/99/18/1079029918.db2.gz MCGLIEUTPBCUCU-AWEZNQCLSA-N 0 1 414.553 0.009 20 0 HCADMN CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000670625445 1079029761 /nfs/dbraw/zinc/02/97/61/1079029761.db2.gz MCGLIEUTPBCUCU-CQSZACIVSA-N 0 1 414.553 0.009 20 0 HCADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670628519 1079038527 /nfs/dbraw/zinc/03/85/27/1079038527.db2.gz MQUDFISKRYDKBK-PMACEKPBSA-N 0 1 400.523 0.700 20 0 HCADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670628520 1079038212 /nfs/dbraw/zinc/03/82/12/1079038212.db2.gz MQUDFISKRYDKBK-UXHICEINSA-N 0 1 400.523 0.700 20 0 HCADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670628521 1079038470 /nfs/dbraw/zinc/03/84/70/1079038470.db2.gz MQUDFISKRYDKBK-VQTJNVASSA-N 0 1 400.523 0.700 20 0 HCADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670628522 1079038355 /nfs/dbraw/zinc/03/83/55/1079038355.db2.gz MQUDFISKRYDKBK-WOJBJXKFSA-N 0 1 400.523 0.700 20 0 HCADMN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000670628970 1079040311 /nfs/dbraw/zinc/04/03/11/1079040311.db2.gz CJWITCSPAGFSLQ-IBGZPJMESA-N 0 1 408.506 0.824 20 0 HCADMN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000670628971 1079040726 /nfs/dbraw/zinc/04/07/26/1079040726.db2.gz CJWITCSPAGFSLQ-LJQANCHMSA-N 0 1 408.506 0.824 20 0 HCADMN COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000670629006 1079040090 /nfs/dbraw/zinc/04/00/90/1079040090.db2.gz KCWRUSJKWHJEQS-IBGZPJMESA-N 0 1 416.522 0.378 20 0 HCADMN COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000670629007 1079040711 /nfs/dbraw/zinc/04/07/11/1079040711.db2.gz KCWRUSJKWHJEQS-LJQANCHMSA-N 0 1 416.522 0.378 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)N2CCCC2)c1 ZINC000670632480 1079045778 /nfs/dbraw/zinc/04/57/78/1079045778.db2.gz GPFRWSPRPCIRLR-CRAIPNDOSA-N 0 1 402.495 0.685 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)N2CCCC2)c1 ZINC000670632481 1079045860 /nfs/dbraw/zinc/04/58/60/1079045860.db2.gz GPFRWSPRPCIRLR-MAUKXSAKSA-N 0 1 402.495 0.685 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)N2CCCC2)c1 ZINC000670632482 1079045845 /nfs/dbraw/zinc/04/58/45/1079045845.db2.gz GPFRWSPRPCIRLR-QAPCUYQASA-N 0 1 402.495 0.685 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)N2CCCC2)c1 ZINC000670632483 1079045729 /nfs/dbraw/zinc/04/57/29/1079045729.db2.gz GPFRWSPRPCIRLR-YJBOKZPZSA-N 0 1 402.495 0.685 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)N2CCCC2)c1 ZINC000670632738 1079055774 /nfs/dbraw/zinc/05/57/74/1079055774.db2.gz RMBYAOUPTGSKIA-IBGZPJMESA-N 0 1 419.522 0.948 20 0 HCADMN COc1cccc([C@@H](CNC(=O)C(=O)N2CCC(CO)(OC)CC2)N2CCCC2)c1 ZINC000670632739 1079055913 /nfs/dbraw/zinc/05/59/13/1079055913.db2.gz RMBYAOUPTGSKIA-LJQANCHMSA-N 0 1 419.522 0.948 20 0 HCADMN CCn1ncnc1CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000670632830 1079055347 /nfs/dbraw/zinc/05/53/47/1079055347.db2.gz CZAWSLYNLXFQJD-KRWDZBQOSA-N 0 1 400.483 0.876 20 0 HCADMN CCn1ncnc1CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000670632831 1079055483 /nfs/dbraw/zinc/05/54/83/1079055483.db2.gz CZAWSLYNLXFQJD-QGZVFWFLSA-N 0 1 400.483 0.876 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)N2CCCC2)c1 ZINC000670632926 1079049296 /nfs/dbraw/zinc/04/92/96/1079049296.db2.gz QRCWUVCHARRDFH-FFZOFVMBSA-N 0 1 418.538 0.784 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)N2CCCC2)c1 ZINC000670632927 1079049400 /nfs/dbraw/zinc/04/94/00/1079049400.db2.gz QRCWUVCHARRDFH-LSTHTHJFSA-N 0 1 418.538 0.784 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)N2CCCC2)c1 ZINC000670632928 1079049189 /nfs/dbraw/zinc/04/91/89/1079049189.db2.gz QRCWUVCHARRDFH-UXPWSPDFSA-N 0 1 418.538 0.784 20 0 HCADMN COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)N2CCCC2)c1 ZINC000670632929 1079049377 /nfs/dbraw/zinc/04/93/77/1079049377.db2.gz QRCWUVCHARRDFH-VDGAXYAQSA-N 0 1 418.538 0.784 20 0 HCADMN O=C(NCCCN1CCCCCC1=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000670634841 1079059284 /nfs/dbraw/zinc/05/92/84/1079059284.db2.gz BNKIYWSTMLNGGT-UHFFFAOYSA-N 0 1 408.543 0.466 20 0 HCADMN O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000670635346 1079054587 /nfs/dbraw/zinc/05/45/87/1079054587.db2.gz UPWANQCDYDUFAL-GOSISDBHSA-N 0 1 408.543 0.466 20 0 HCADMN COc1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)c1 ZINC000670635989 1079062965 /nfs/dbraw/zinc/06/29/65/1079062965.db2.gz QYXLRPNEKMQQAZ-UHFFFAOYSA-N 0 1 417.510 0.648 20 0 HCADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670636249 1079062642 /nfs/dbraw/zinc/06/26/42/1079062642.db2.gz ZUURDKWFNLZBHS-KRWDZBQOSA-N 0 1 408.543 0.607 20 0 HCADMN O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000670637333 1079064251 /nfs/dbraw/zinc/06/42/51/1079064251.db2.gz IYGSWNCALAMEMI-UHFFFAOYSA-N 0 1 408.543 0.466 20 0 HCADMN CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCCCCC1=O)N1CCN(C)CC1 ZINC000670637679 1079072338 /nfs/dbraw/zinc/07/23/38/1079072338.db2.gz UBMKDNVICWDWTG-GOSISDBHSA-N 0 1 409.575 0.284 20 0 HCADMN CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCCCCC1=O)N1CCN(C)CC1 ZINC000670637680 1079072306 /nfs/dbraw/zinc/07/23/06/1079072306.db2.gz UBMKDNVICWDWTG-SFHVURJKSA-N 0 1 409.575 0.284 20 0 HCADMN O=C(NCCCN1CCCCCC1=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000670637701 1079072176 /nfs/dbraw/zinc/07/21/76/1079072176.db2.gz UPWANQCDYDUFAL-SFHVURJKSA-N 0 1 408.543 0.466 20 0 HCADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670638992 1079080364 /nfs/dbraw/zinc/08/03/64/1079080364.db2.gz ZUURDKWFNLZBHS-QGZVFWFLSA-N 0 1 408.543 0.607 20 0 HCADMN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000670668434 1079181540 /nfs/dbraw/zinc/18/15/40/1079181540.db2.gz KJWMISWLMJVRJL-APWZRJJASA-N 0 1 414.510 0.918 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000670668436 1079181611 /nfs/dbraw/zinc/18/16/11/1079181611.db2.gz KJWMISWLMJVRJL-QFBILLFUSA-N 0 1 414.510 0.918 20 0 HCADMN CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000670668437 1079181430 /nfs/dbraw/zinc/18/14/30/1079181430.db2.gz KJWMISWLMJVRJL-VQIMIIECSA-N 0 1 414.510 0.918 20 0 HCADMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000670670552 1079190931 /nfs/dbraw/zinc/19/09/31/1079190931.db2.gz FUYTWXGNJFDSFG-CRAIPNDOSA-N 0 1 400.483 0.672 20 0 HCADMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000670670553 1079190999 /nfs/dbraw/zinc/19/09/99/1079190999.db2.gz FUYTWXGNJFDSFG-MAUKXSAKSA-N 0 1 400.483 0.672 20 0 HCADMN COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000670670554 1079191033 /nfs/dbraw/zinc/19/10/33/1079191033.db2.gz FUYTWXGNJFDSFG-QAPCUYQASA-N 0 1 400.483 0.672 20 0 HCADMN COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000670670555 1079190822 /nfs/dbraw/zinc/19/08/22/1079190822.db2.gz FUYTWXGNJFDSFG-YJBOKZPZSA-N 0 1 400.483 0.672 20 0 HCADMN CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1)N1CCOCC1 ZINC000670670822 1079202386 /nfs/dbraw/zinc/20/23/86/1079202386.db2.gz QDUPIAFWEAETIL-MOPGFXCFSA-N 0 1 412.575 0.323 20 0 HCADMN 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/nfs/dbraw/zinc/87/58/27/1080875827.db2.gz MVIYGFNYUWLIRI-INIZCTEOSA-N 0 1 401.448 0.931 20 0 HCADMN NS(=O)(=O)c1ccc(OCC(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC000673091774 1080875879 /nfs/dbraw/zinc/87/58/79/1080875879.db2.gz MVIYGFNYUWLIRI-MRXNPFEDSA-N 0 1 401.448 0.931 20 0 HCADMN CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1)S(C)(=O)=O ZINC000673096274 1080875081 /nfs/dbraw/zinc/87/50/81/1080875081.db2.gz NZSGCHLWGMZXMN-AWEZNQCLSA-N 0 1 420.495 0.336 20 0 HCADMN CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1)S(C)(=O)=O ZINC000673096275 1080875029 /nfs/dbraw/zinc/87/50/29/1080875029.db2.gz NZSGCHLWGMZXMN-CQSZACIVSA-N 0 1 420.495 0.336 20 0 HCADMN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000673096339 1080875357 /nfs/dbraw/zinc/87/53/57/1080875357.db2.gz LNDVVQMNGRHGND-HNNXBMFYSA-N 0 1 406.468 0.088 20 0 HCADMN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000673096340 1080875338 /nfs/dbraw/zinc/87/53/38/1080875338.db2.gz LNDVVQMNGRHGND-OAHLLOKOSA-N 0 1 406.468 0.088 20 0 HCADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673118158 1080883981 /nfs/dbraw/zinc/88/39/81/1080883981.db2.gz FNIVFXYWDGMEBT-BBRMVZONSA-N 0 1 420.495 0.430 20 0 HCADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673118159 1080883949 /nfs/dbraw/zinc/88/39/49/1080883949.db2.gz FNIVFXYWDGMEBT-CJNGLKHVSA-N 0 1 420.495 0.430 20 0 HCADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673118160 1080883973 /nfs/dbraw/zinc/88/39/73/1080883973.db2.gz FNIVFXYWDGMEBT-CZUORRHYSA-N 0 1 420.495 0.430 20 0 HCADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673118161 1080883940 /nfs/dbraw/zinc/88/39/40/1080883940.db2.gz FNIVFXYWDGMEBT-XJKSGUPXSA-N 0 1 420.495 0.430 20 0 HCADMN C[C@]1(C[C@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)NC(=O)NC1=O ZINC000673121334 1080890505 /nfs/dbraw/zinc/89/05/05/1080890505.db2.gz GTSLUOFBUPUYMY-AUUYWEPGSA-N 0 1 411.422 0.185 20 0 HCADMN C[C@]1(C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)NC(=O)NC1=O ZINC000673121335 1080890468 /nfs/dbraw/zinc/89/04/68/1080890468.db2.gz GTSLUOFBUPUYMY-IFXJQAMLSA-N 0 1 411.422 0.185 20 0 HCADMN C[C@@]1(C[C@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)NC(=O)NC1=O ZINC000673121336 1080890428 /nfs/dbraw/zinc/89/04/28/1080890428.db2.gz GTSLUOFBUPUYMY-KUHUBIRLSA-N 0 1 411.422 0.185 20 0 HCADMN C[C@@]1(C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)NC(=O)NC1=O ZINC000673121337 1080890836 /nfs/dbraw/zinc/89/08/36/1080890836.db2.gz GTSLUOFBUPUYMY-LIRRHRJNSA-N 0 1 411.422 0.185 20 0 HCADMN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673127670 1080888182 /nfs/dbraw/zinc/88/81/82/1080888182.db2.gz BADPGZAQVDGGTQ-HNNXBMFYSA-N 0 1 406.468 0.136 20 0 HCADMN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673127671 1080888266 /nfs/dbraw/zinc/88/82/66/1080888266.db2.gz BADPGZAQVDGGTQ-OAHLLOKOSA-N 0 1 406.468 0.136 20 0 HCADMN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673128443 1080888983 /nfs/dbraw/zinc/88/89/83/1080888983.db2.gz FPEDVYAQHDGWHO-AWEZNQCLSA-N 0 1 412.372 0.585 20 0 HCADMN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673128444 1080889343 /nfs/dbraw/zinc/88/93/43/1080889343.db2.gz FPEDVYAQHDGWHO-CQSZACIVSA-N 0 1 412.372 0.585 20 0 HCADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)CC1=O ZINC000673129433 1080889655 /nfs/dbraw/zinc/88/96/55/1080889655.db2.gz LJLNGOMBAADJOV-DZGCQCFKSA-N 0 1 424.523 0.572 20 0 HCADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)CC1=O ZINC000673129434 1080889706 /nfs/dbraw/zinc/88/97/06/1080889706.db2.gz LJLNGOMBAADJOV-HIFRSBDPSA-N 0 1 424.523 0.572 20 0 HCADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)CC1=O ZINC000673129435 1080889777 /nfs/dbraw/zinc/88/97/77/1080889777.db2.gz LJLNGOMBAADJOV-UKRRQHHQSA-N 0 1 424.523 0.572 20 0 HCADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)CC1=O ZINC000673129436 1080889808 /nfs/dbraw/zinc/88/98/08/1080889808.db2.gz LJLNGOMBAADJOV-ZFWWWQNUSA-N 0 1 424.523 0.572 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)ccc1O ZINC000673129498 1080889689 /nfs/dbraw/zinc/88/96/89/1080889689.db2.gz JUTPNBWDSORBMU-UHFFFAOYSA-N 0 1 404.404 0.756 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)ccc1O ZINC000673129704 1080889759 /nfs/dbraw/zinc/88/97/59/1080889759.db2.gz MMDQDMAOKBILJP-UHFFFAOYSA-N 0 1 413.477 0.519 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1O ZINC000673129854 1080889799 /nfs/dbraw/zinc/88/97/99/1080889799.db2.gz NGCGBVWEXZWHID-CYZMBNFOSA-N 0 1 409.464 0.803 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1O ZINC000673129855 1080889743 /nfs/dbraw/zinc/88/97/43/1080889743.db2.gz NGCGBVWEXZWHID-DRZSPHRISA-N 0 1 409.464 0.803 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1O ZINC000673129856 1080889696 /nfs/dbraw/zinc/88/96/96/1080889696.db2.gz NGCGBVWEXZWHID-RTXFEEFZSA-N 0 1 409.464 0.803 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1O ZINC000673129857 1080889769 /nfs/dbraw/zinc/88/97/69/1080889769.db2.gz NGCGBVWEXZWHID-WCFLWFBJSA-N 0 1 409.464 0.803 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)ccc1O ZINC000673129869 1080889669 /nfs/dbraw/zinc/88/96/69/1080889669.db2.gz SAFXVIQOZXBPKV-GFCCVEGCSA-N 0 1 404.448 0.683 20 0 HCADMN CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)ccc1O ZINC000673129870 1080889638 /nfs/dbraw/zinc/88/96/38/1080889638.db2.gz SAFXVIQOZXBPKV-LBPRGKRZSA-N 0 1 404.448 0.683 20 0 HCADMN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)[C@H](C)C1 ZINC000673147670 1080894298 /nfs/dbraw/zinc/89/42/98/1080894298.db2.gz QZYITQSGHPSUGO-CYBMUJFWSA-N 0 1 406.468 0.088 20 0 HCADMN C[C@@H](O)CN(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000673153329 1080897647 /nfs/dbraw/zinc/89/76/47/1080897647.db2.gz ZSBLKRFVHCLRAS-CYBMUJFWSA-N 0 1 416.444 0.913 20 0 HCADMN C[C@H](O)CN(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000673153330 1080897633 /nfs/dbraw/zinc/89/76/33/1080897633.db2.gz ZSBLKRFVHCLRAS-ZDUSSCGKSA-N 0 1 416.444 0.913 20 0 HCADMN O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000673156422 1080897860 /nfs/dbraw/zinc/89/78/60/1080897860.db2.gz MYQAKTMTCJYNAI-MSOLQXFVSA-N 0 1 400.479 0.913 20 0 HCADMN O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000673156423 1080897969 /nfs/dbraw/zinc/89/79/69/1080897969.db2.gz MYQAKTMTCJYNAI-QZTJIDSGSA-N 0 1 400.479 0.913 20 0 HCADMN O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000673156424 1080897946 /nfs/dbraw/zinc/89/79/46/1080897946.db2.gz MYQAKTMTCJYNAI-ROUUACIJSA-N 0 1 400.479 0.913 20 0 HCADMN O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000673156425 1080897916 /nfs/dbraw/zinc/89/79/16/1080897916.db2.gz MYQAKTMTCJYNAI-ZWKOTPCHSA-N 0 1 400.479 0.913 20 0 HCADMN CCn1nc2c(cc1=O)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)N3CC(=O)N(C)C)CC2 ZINC000673158605 1080898170 /nfs/dbraw/zinc/89/81/70/1080898170.db2.gz WJOHEEGXEYUEFB-ALOPSCKCSA-N 0 1 416.526 0.415 20 0 HCADMN Cc1nc([C@@H]2COCCN2C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)no1 ZINC000673158740 1080898528 /nfs/dbraw/zinc/89/85/28/1080898528.db2.gz HAMAPTHSBDCCOY-UYTSQGDYSA-N 0 1 406.487 0.545 20 0 HCADMN Cc1nc([C@H]2COCCN2C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)no1 ZINC000673158741 1080898130 /nfs/dbraw/zinc/89/81/30/1080898130.db2.gz HAMAPTHSBDCCOY-WTXIUTQJSA-N 0 1 406.487 0.545 20 0 HCADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000673175566 1080904001 /nfs/dbraw/zinc/90/40/01/1080904001.db2.gz JRHUGVVLBNSPFG-HNNXBMFYSA-N 0 1 417.510 0.500 20 0 HCADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CC[C@H](CC(N)=O)C1 ZINC000673175571 1080903860 /nfs/dbraw/zinc/90/38/60/1080903860.db2.gz JRHUGVVLBNSPFG-OAHLLOKOSA-N 0 1 417.510 0.500 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)c1 ZINC000673175964 1080903149 /nfs/dbraw/zinc/90/31/49/1080903149.db2.gz CEADLJKUBRVQBA-AWEZNQCLSA-N 0 1 403.483 0.629 20 0 HCADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)c1 ZINC000673175965 1080903447 /nfs/dbraw/zinc/90/34/47/1080903447.db2.gz CEADLJKUBRVQBA-CQSZACIVSA-N 0 1 403.483 0.629 20 0 HCADMN C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000673220353 1080931302 /nfs/dbraw/zinc/93/13/02/1080931302.db2.gz SOXJLKNGJUBMHT-DOTOQJQBSA-N 0 1 410.559 0.661 20 0 HCADMN C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000673220354 1080931251 /nfs/dbraw/zinc/93/12/51/1080931251.db2.gz SOXJLKNGJUBMHT-NVXWUHKLSA-N 0 1 410.559 0.661 20 0 HCADMN C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000673220355 1080931488 /nfs/dbraw/zinc/93/14/88/1080931488.db2.gz SOXJLKNGJUBMHT-RDJZCZTQSA-N 0 1 410.559 0.661 20 0 HCADMN C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000673220356 1080931414 /nfs/dbraw/zinc/93/14/14/1080931414.db2.gz SOXJLKNGJUBMHT-WBVHZDCISA-N 0 1 410.559 0.661 20 0 HCADMN CC1(C)CN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CCN1CCO ZINC000673226320 1080928762 /nfs/dbraw/zinc/92/87/62/1080928762.db2.gz MTPAWKUDEDETPD-INIZCTEOSA-N 0 1 410.540 0.548 20 0 HCADMN O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000673226494 1080928247 /nfs/dbraw/zinc/92/82/47/1080928247.db2.gz VPJKNNJLPQITDI-QXAKKESOSA-N 0 1 422.551 0.690 20 0 HCADMN O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000673226495 1080928056 /nfs/dbraw/zinc/92/80/56/1080928056.db2.gz VPJKNNJLPQITDI-UHOSZYNNSA-N 0 1 422.551 0.690 20 0 HCADMN O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000673226496 1080928206 /nfs/dbraw/zinc/92/82/06/1080928206.db2.gz VPJKNNJLPQITDI-WDSOQIARSA-N 0 1 422.551 0.690 20 0 HCADMN O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000673226497 1080928438 /nfs/dbraw/zinc/92/84/38/1080928438.db2.gz VPJKNNJLPQITDI-YTQUADARSA-N 0 1 422.551 0.690 20 0 HCADMN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000673254900 1080949121 /nfs/dbraw/zinc/94/91/21/1080949121.db2.gz SLAPQUHXLAPIBC-HNNXBMFYSA-N 0 1 405.543 0.655 20 0 HCADMN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000673254901 1080948796 /nfs/dbraw/zinc/94/87/96/1080948796.db2.gz SLAPQUHXLAPIBC-OAHLLOKOSA-N 0 1 405.543 0.655 20 0 HCADMN CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000673282166 1080963499 /nfs/dbraw/zinc/96/34/99/1080963499.db2.gz MYEDUEKEZLIEPB-FQEVSTJZSA-N 0 1 400.523 0.860 20 0 HCADMN CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000673282170 1080964646 /nfs/dbraw/zinc/96/46/46/1080964646.db2.gz MYEDUEKEZLIEPB-HXUWFJFHSA-N 0 1 400.523 0.860 20 0 HCADMN CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000673282964 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HCADMN CN1CCN(c2ccc(N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164655717 719302512 /nfs/dbraw/zinc/30/25/12/719302512.db2.gz VETYUGRYOXIUAO-FVJLSDCUSA-N 0 1 400.527 0.835 20 0 HCADMN CN1CCN(c2ccc(N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)nn2)CC1 ZINC001164655718 719302565 /nfs/dbraw/zinc/30/25/65/719302565.db2.gz VETYUGRYOXIUAO-XGHQBKJUSA-N 0 1 400.527 0.835 20 0 HCADMN CN(C)C(=O)COCc1noc2c1CN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164659439 719341508 /nfs/dbraw/zinc/34/15/08/719341508.db2.gz DBFVNXDQQURWKQ-UHFFFAOYSA-N 0 1 414.510 0.989 20 0 HCADMN CN(C)C(=O)COCc1noc2c1CN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164662757 719340948 /nfs/dbraw/zinc/34/09/48/719340948.db2.gz RKJDKTBOLBXBKQ-UHFFFAOYSA-N 0 1 415.498 0.384 20 0 HCADMN CNC(=O)CO[C@@H]1COC2(C1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164677213 719552969 /nfs/dbraw/zinc/55/29/69/719552969.db2.gz LUMSIOQGLOPJPR-KRWDZBQOSA-N 0 1 403.527 0.724 20 0 HCADMN CNC(=O)CO[C@H]1COC2(C1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164677215 719552461 /nfs/dbraw/zinc/55/24/61/719552461.db2.gz LUMSIOQGLOPJPR-QGZVFWFLSA-N 0 1 403.527 0.724 20 0 HCADMN CCOC(=O)c1c[nH]c2ncnc(N3CCn4c(CN5CCOCC5)nnc4C3)c12 ZINC001164677233 719573969 /nfs/dbraw/zinc/57/39/69/719573969.db2.gz WBAKOYTXMMKSRA-UHFFFAOYSA-N 0 1 412.454 0.579 20 0 HCADMN CN1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)nn2)CC1 ZINC001164677384 719535154 /nfs/dbraw/zinc/53/51/54/719535154.db2.gz DIZZQCOMBZORPX-FGTMMUONSA-N 0 1 400.527 0.835 20 0 HCADMN CN1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)nn2)CC1 ZINC001164677385 719535418 /nfs/dbraw/zinc/53/54/18/719535418.db2.gz DIZZQCOMBZORPX-KURKYZTESA-N 0 1 400.527 0.835 20 0 HCADMN CN1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)nn2)CC1 ZINC001164677386 719535722 /nfs/dbraw/zinc/53/57/22/719535722.db2.gz DIZZQCOMBZORPX-KZNAEPCWSA-N 0 1 400.527 0.835 20 0 HCADMN CN1CCN(c2ccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)nn2)CC1 ZINC001164677387 719535297 /nfs/dbraw/zinc/53/52/97/719535297.db2.gz 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XVRCIJMBLCMPHG-HNNXBMFYSA-N 0 1 421.479 0.607 20 0 HCADMN O=C(c1ccc(S(=O)(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1)N1CCOCC1 ZINC001212314413 1078819667 /nfs/dbraw/zinc/81/96/67/1078819667.db2.gz XVRCIJMBLCMPHG-OAHLLOKOSA-N 0 1 421.479 0.607 20 0 HCADMN COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC001212317186 1078820987 /nfs/dbraw/zinc/82/09/87/1078820987.db2.gz QMMJRNAGCBCOEY-CYBMUJFWSA-N 0 1 410.452 0.859 20 0 HCADMN COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC001212317187 1078820919 /nfs/dbraw/zinc/82/09/19/1078820919.db2.gz QMMJRNAGCBCOEY-ZDUSSCGKSA-N 0 1 410.452 0.859 20 0 HCADMN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC001212321564 1078823895 /nfs/dbraw/zinc/82/38/95/1078823895.db2.gz DBLBWALIOXPLJK-GWCFXTLKSA-N 0 1 418.401 0.882 20 0 HCADMN COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC001212322134 1078824266 /nfs/dbraw/zinc/82/42/66/1078824266.db2.gz NEGPJKSGOFADPY-IUCAKERBSA-N 0 1 412.390 0.725 20 0 HCADMN CC(C)(C)n1nnc(CNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 ZINC001212326838 1078825036 /nfs/dbraw/zinc/82/50/36/1078825036.db2.gz WILHKWKMCVGUAF-UHFFFAOYSA-N 0 1 400.848 0.891 20 0 HCADMN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(Cl)s1 ZINC001212336147 1078836435 /nfs/dbraw/zinc/83/64/35/1078836435.db2.gz MAFKOVAQMUWKJJ-DTWKUNHWSA-N 0 1 400.931 0.245 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1COC ZINC001212376148 1079941316 /nfs/dbraw/zinc/94/13/16/1079941316.db2.gz QHWQQUJRODGCOC-NWDGAFQWSA-N 0 1 408.498 0.227 20 0 HCADMN CCN1C[C@H](S(=O)(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC001212384248 1080027972 /nfs/dbraw/zinc/02/79/72/1080027972.db2.gz NZFQGYBOZJBRGG-CEXWTWQISA-N 0 1 407.536 0.912 20 0 HCADMN CCN1C[C@H](S(=O)(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)CC1=O ZINC001212384249 1080028019 /nfs/dbraw/zinc/02/80/19/1080028019.db2.gz NZFQGYBOZJBRGG-GUDVDZBRSA-N 0 1 407.536 0.912 20 0 HCADMN CCN1C[C@H](S(=O)(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)CC1=O ZINC001212384250 1080028076 /nfs/dbraw/zinc/02/80/76/1080028076.db2.gz NZFQGYBOZJBRGG-QRVBRYPASA-N 0 1 407.536 0.912 20 0 HCADMN CCN1C[C@H](S(=O)(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC001212384251 1080027909 /nfs/dbraw/zinc/02/79/09/1080027909.db2.gz NZFQGYBOZJBRGG-QYZOEREBSA-N 0 1 407.536 0.912 20 0 HCADMN Nc1[nH+]cccc1Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001212393621 1080056776 /nfs/dbraw/zinc/05/67/76/1080056776.db2.gz JRSKZASMRSANFC-AFCLKFOHSA-N 0 1 421.310 0.321 20 0 HCADMN Nc1[nH+]cccc1Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001212393622 1080057329 /nfs/dbraw/zinc/05/73/29/1080057329.db2.gz JRSKZASMRSANFC-ORXWAGORSA-N 0 1 421.310 0.321 20 0 HCADMN Nc1[nH+]cccc1Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001212393623 1080057201 /nfs/dbraw/zinc/05/72/01/1080057201.db2.gz JRSKZASMRSANFC-UXFCWIETSA-N 0 1 421.310 0.321 20 0 HCADMN Cc1cnn(-c2ccc(S(=O)(=O)N3CCN(Cc4nnc[nH]4)CC3)cc2F)c1 ZINC001212397475 1080067630 /nfs/dbraw/zinc/06/76/30/1080067630.db2.gz PDMORXMHJQUOGR-UHFFFAOYSA-N 0 1 405.459 0.944 20 0 HCADMN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(Cc4nnc[nH]4)CC3)cc2C1 ZINC001212397956 1080069253 /nfs/dbraw/zinc/06/92/53/1080069253.db2.gz VQHCMDOVHKMFDI-UHFFFAOYSA-N 0 1 410.525 0.277 20 0 HCADMN Nc1[nH+]cccc1Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12 ZINC001212398494 1080069603 /nfs/dbraw/zinc/06/96/03/1080069603.db2.gz XJZQEKRJCFIBEN-AFCLKFOHSA-N 0 1 421.310 0.321 20 0 HCADMN Nc1[nH+]cccc1Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12 ZINC001212398495 1080070202 /nfs/dbraw/zinc/07/02/02/1080070202.db2.gz XJZQEKRJCFIBEN-UXFCWIETSA-N 0 1 421.310 0.321 20 0 HCADMN COCc1nc(CNS(=O)(=O)c2cc(Br)ccc2C(=O)OC)n[nH]1 ZINC001212415366 1080112175 /nfs/dbraw/zinc/11/21/75/1080112175.db2.gz BZGRAJOKVRRANQ-UHFFFAOYSA-N 0 1 419.257 0.979 20 0 HCADMN COCc1nc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Br)n[nH]1 ZINC001212415468 1080112842 /nfs/dbraw/zinc/11/28/42/1080112842.db2.gz FHVBYYNOMUMBQI-UHFFFAOYSA-N 0 1 419.257 0.979 20 0 HCADMN COCc1nc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)n[nH]1 ZINC001212415850 1080113535 /nfs/dbraw/zinc/11/35/35/1080113535.db2.gz QCFKEWBDYJAEJU-UHFFFAOYSA-N 0 1 404.832 0.878 20 0 HCADMN COCc1nc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n[nH]1 ZINC001212415965 1080114354 /nfs/dbraw/zinc/11/43/54/1080114354.db2.gz TVKAFQZZGYSDCQ-UHFFFAOYSA-N 0 1 415.497 0.214 20 0 HCADMN COCc1nc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)n[nH]1 ZINC001212415971 1080114280 /nfs/dbraw/zinc/11/42/80/1080114280.db2.gz UCHMSLZFXQNJJH-UHFFFAOYSA-N 0 1 419.257 0.963 20 0 HCADMN COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cn1 ZINC001212421914 1080187503 /nfs/dbraw/zinc/18/75/03/1080187503.db2.gz ZTZQZPBBIPXBOP-KRWDZBQOSA-N 0 1 406.508 0.994 20 0 HCADMN COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cn1 ZINC001212421915 1080187326 /nfs/dbraw/zinc/18/73/26/1080187326.db2.gz ZTZQZPBBIPXBOP-QGZVFWFLSA-N 0 1 406.508 0.994 20 0 HCADMN COC(=O)Cn1cc(S(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)cn1 ZINC001212424066 1080188212 /nfs/dbraw/zinc/18/82/12/1080188212.db2.gz VUTKNVFROROONJ-UHFFFAOYSA-N 0 1 407.496 0.642 20 0 HCADMN CN(C)S(=O)(=O)CCS(=O)(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001212447931 1080541804 /nfs/dbraw/zinc/54/18/04/1080541804.db2.gz PQHJWJLBMDABIF-UHFFFAOYSA-N 0 1 421.932 0.478 20 0 HCADMN O=C1COc2cc(S(=O)(=O)NC[C@@H](O)CN3CCCCC3)c(Cl)cc2N1 ZINC001212497100 1080870845 /nfs/dbraw/zinc/87/08/45/1080870845.db2.gz LHDATLQOSPMBAU-LLVKDONJSA-N 0 1 403.888 0.796 20 0 HCADMN COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)c(OC)cc1F ZINC001212497519 1080873191 /nfs/dbraw/zinc/87/31/91/1080873191.db2.gz ONZIBQIYUZJBPK-GFCCVEGCSA-N 0 1 404.460 0.746 20 0 HCADMN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NC[C@@H](O)CN1CCCCC1 ZINC001212498063 1080872313 /nfs/dbraw/zinc/87/23/13/1080872313.db2.gz WHBMIUVUZKXIQW-OAHLLOKOSA-N 0 1 400.497 0.997 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001212502819 1080893008 /nfs/dbraw/zinc/89/30/08/1080893008.db2.gz YFFJXIJAAKTEPP-KBPBESRZSA-N 0 1 408.498 0.275 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001212502820 1080893067 /nfs/dbraw/zinc/89/30/67/1080893067.db2.gz YFFJXIJAAKTEPP-KGLIPLIRSA-N 0 1 408.498 0.275 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001212502821 1080892988 /nfs/dbraw/zinc/89/29/88/1080892988.db2.gz YFFJXIJAAKTEPP-UONOGXRCSA-N 0 1 408.498 0.275 20 0 HCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001212502822 1080893030 /nfs/dbraw/zinc/89/30/30/1080893030.db2.gz YFFJXIJAAKTEPP-ZIAGYGMSSA-N 0 1 408.498 0.275 20 0 HCADMN CS(=O)(=O)N1CCC(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001263627995 939828669 /nfs/dbraw/zinc/82/86/69/939828669.db2.gz FGNIEYRMTQGULC-FQEVSTJZSA-N 0 1 423.535 0.894 20 0 HCADMN CS(=O)(=O)N1CCC(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001263627996 939828942 /nfs/dbraw/zinc/82/89/42/939828942.db2.gz FGNIEYRMTQGULC-HXUWFJFHSA-N 0 1 423.535 0.894 20 0 HCADMN CCOC(=O)c1c[nH]c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n1 ZINC001272342016 1075761043 /nfs/dbraw/zinc/76/10/43/1075761043.db2.gz KKOWVTUSGSBHTH-UHFFFAOYSA-N 0 1 408.436 0.860 20 0 HCADMN Cn1cnn(CC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)c1=O ZINC001272804388 1079932422 /nfs/dbraw/zinc/93/24/22/1079932422.db2.gz BLOFQLOJRMIPKS-UHFFFAOYSA-N 0 1 414.510 0.069 20 0 HCADMN O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CSCC(=O)N1 ZINC001272805659 1079939206 /nfs/dbraw/zinc/93/92/06/1079939206.db2.gz WGRKKMFWGPNZEQ-SFHVURJKSA-N 0 1 418.563 0.706 20 0 HCADMN CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1CCN1CCSCC1 ZINC001299221630 1078022642 /nfs/dbraw/zinc/02/26/42/1078022642.db2.gz PGGUCORBIVXDJH-UHFFFAOYSA-N 0 1 403.556 0.885 20 0 HCADMN CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 ZINC001299233016 1079238613 /nfs/dbraw/zinc/23/86/13/1079238613.db2.gz PRMSRCOLUWCWQW-UHFFFAOYSA-N 0 1 400.487 0.592 20 0 HCADMN NS(=O)(=O)C1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001299239721 1079243042 /nfs/dbraw/zinc/24/30/42/1079243042.db2.gz NXQJIDNMRYZQFT-UHFFFAOYSA-N 0 1 410.521 0.745 20 0 HCADMN CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001299242980 1079247138 /nfs/dbraw/zinc/24/71/38/1079247138.db2.gz OKPQREABGKODRO-MRXNPFEDSA-N 0 1 401.515 0.958 20 0 HCADMN CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCOC(C)C)CC1 ZINC001299243280 1079247267 /nfs/dbraw/zinc/24/72/67/1079247267.db2.gz RUKOPZSSRUBRLO-UHFFFAOYSA-N 0 1 403.531 0.967 20 0 HCADMN CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001299252207 1079257724 /nfs/dbraw/zinc/25/77/24/1079257724.db2.gz RJLYAWZVJVKEKD-KRWDZBQOSA-N 0 1 416.530 0.364 20 0 HCADMN CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001299252208 1079257880 /nfs/dbraw/zinc/25/78/80/1079257880.db2.gz RJLYAWZVJVKEKD-QGZVFWFLSA-N 0 1 416.530 0.364 20 0 HCADMN CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001299253649 1079258979 /nfs/dbraw/zinc/25/89/79/1079258979.db2.gz LVNQPUOZCWXHFU-INIZCTEOSA-N 0 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