smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)N1CCN(Cc2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072429941 835997122 /nfs/dbraw/zinc/99/71/22/835997122.db2.gz ZPUMLPBBFPZMRJ-CABCVRRESA-N 0 0 353.444 0.405 50 0 FCAARN CCn1ccc(C(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)cc1=O ZINC000219571237 836024645 /nfs/dbraw/zinc/02/46/45/836024645.db2.gz YQEUSUMSXHTDRC-KGLIPLIRSA-N 0 0 353.444 0.268 50 0 FCAARN Cc1noc(C)c1CC(=O)N1C[C@@H]2CCN(S(C)(=O)=O)C[C@]2(CF)C1 ZINC000409420602 836071339 /nfs/dbraw/zinc/07/13/39/836071339.db2.gz HDFTURITZKAQSI-BBRMVZONSA-N 0 0 373.450 0.914 50 0 FCAARN COCCN(C)C(=O)C[C@@H]1CCOC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000575543335 836086551 /nfs/dbraw/zinc/08/65/51/836086551.db2.gz OQOAJUSTEIVLRK-AWEZNQCLSA-N 0 0 362.492 0.702 50 0 FCAARN CCn1ccc(C(=O)N2CCC3(CC2)N(CC2CC2)C(=O)C[S@]3=O)n1 ZINC000581793795 836087457 /nfs/dbraw/zinc/08/74/57/836087457.db2.gz 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836094669 /nfs/dbraw/zinc/09/46/69/836094669.db2.gz WQFKZVBHKLASFO-GFCCVEGCSA-N 0 0 370.479 0.652 50 0 FCAARN O=C(NCCN1CC[C@@H](N2CCOCC2)C1=O)c1c(F)cccc1F ZINC000675021471 836094927 /nfs/dbraw/zinc/09/49/27/836094927.db2.gz PLQIZLSWPCCIJT-CQSZACIVSA-N 0 0 353.369 0.628 50 0 FCAARN Cc1cc(C)n(CC(=O)N(CCN2CCOCC2)C2CCOCC2)n1 ZINC000675023224 836095442 /nfs/dbraw/zinc/09/54/42/836095442.db2.gz YZQWCUUAJJYKPU-UHFFFAOYSA-N 0 0 350.463 0.840 50 0 FCAARN COCCn1nnnc1[C@@]1(N(C)C)CCN(C(=O)c2ccsc2)C1 ZINC000675022816 836095608 /nfs/dbraw/zinc/09/56/08/836095608.db2.gz RGFSXCVVKLCQCC-OAHLLOKOSA-N 0 0 350.448 0.684 50 0 FCAARN CN(C)S(=O)(=O)N(CCNC(=O)c1cccnc1)C1CCOCC1 ZINC000675021667 836095808 /nfs/dbraw/zinc/09/58/08/836095808.db2.gz ARTQQKDCLNMMTB-UHFFFAOYSA-N 0 0 356.448 0.099 50 0 FCAARN CN(CCC(=O)N1CCOc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000823668434 836516144 /nfs/dbraw/zinc/51/61/44/836516144.db2.gz JGUNEICEFZRMFI-OAHLLOKOSA-N 0 0 352.456 0.917 50 0 FCAARN 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/nfs/dbraw/zinc/64/36/30/222643630.db2.gz IXEPYQCLPPOSCY-UHFFFAOYSA-N 0 0 368.415 0.439 50 0 FCAARN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@]3(C)CC=CCC3)cnc21 ZINC000332618441 215190521 /nfs/dbraw/zinc/19/05/21/215190521.db2.gz RKVBVHVXYUJZDV-HNNXBMFYSA-N 0 0 350.400 0.811 50 0 FCAARN C[C@@H]1CC[C@@H](CCC(=O)NCCS(=O)(=O)N2CCSCC2)O1 ZINC000333514367 215291625 /nfs/dbraw/zinc/29/16/25/215291625.db2.gz YHSCYCLAFNYBNQ-OLZOCXBDSA-N 0 0 350.506 0.829 50 0 FCAARN CC1(C)C(=O)N(Cc2ccccc2)CCN1S(=O)(=O)N1CCOCC1 ZINC000333721952 215314333 /nfs/dbraw/zinc/31/43/33/215314333.db2.gz RRAXCBSMVMOVEP-UHFFFAOYSA-N 0 0 367.471 0.686 50 0 FCAARN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000333961576 215334222 /nfs/dbraw/zinc/33/42/22/215334222.db2.gz MAUNXKMCZYLBRX-WXRXAMBDSA-N 0 0 359.426 0.451 50 0 FCAARN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)CCC(=O)c2cnn(C)c2)C1 ZINC000284492440 213153622 /nfs/dbraw/zinc/15/36/22/213153622.db2.gz CUIKZAVAUULCPX-GJZGRUSLSA-N 0 0 362.430 0.621 50 0 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ZINC000010498290 204020077 /nfs/dbraw/zinc/02/00/77/204020077.db2.gz CAGADRFRTNALTF-UHFFFAOYSA-N 0 0 364.365 0.028 50 0 FCAARN COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000003004978 204073689 /nfs/dbraw/zinc/07/36/89/204073689.db2.gz MOFXHUOJRIDCPS-UHFFFAOYSA-N 0 0 356.444 0.859 50 0 FCAARN COCCCNC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000003060410 204077178 /nfs/dbraw/zinc/07/71/78/204077178.db2.gz ZZWZWWNXHDNTFM-UHFFFAOYSA-N 0 0 361.508 0.828 50 0 FCAARN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)O1 ZINC000003214218 204081898 /nfs/dbraw/zinc/08/18/98/204081898.db2.gz VBPIYEUEEDFPAO-KBPBESRZSA-N 0 0 368.455 0.957 50 0 FCAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NCC(F)(F)F ZINC000003327030 204091178 /nfs/dbraw/zinc/09/11/78/204091178.db2.gz BIGKGUHMSVLQKM-AWEZNQCLSA-N 0 0 357.288 0.895 50 0 FCAARN Cn1cc(I)c(C(=O)Nc2cnn(C)c2C(N)=O)n1 ZINC000002766567 204055469 /nfs/dbraw/zinc/05/54/69/204055469.db2.gz YYTWVEYWMITADQ-UHFFFAOYSA-N 0 0 374.142 0.109 50 0 FCAARN 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/nfs/dbraw/zinc/55/56/59/491555659.db2.gz NNIJJACXDNTSPT-UHFFFAOYSA-N 0 0 357.418 0.050 50 0 FCAARN Cc1cncnc1N1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1 ZINC000575609687 491555791 /nfs/dbraw/zinc/55/57/91/491555791.db2.gz ZZNMULJYQSFERO-UHFFFAOYSA-N 0 0 354.414 0.568 50 0 FCAARN COc1ccc(CCNC(=O)NCCOCCN2C(=O)CCC2=O)cc1 ZINC000575619596 491556091 /nfs/dbraw/zinc/55/60/91/491556091.db2.gz KHXRKJKHZYFKKJ-UHFFFAOYSA-N 0 0 363.414 0.703 50 0 FCAARN O=C(Cn1nc(C2CC2)ccc1=O)N1CCN(Cc2ccccn2)CC1 ZINC000575620276 491556096 /nfs/dbraw/zinc/55/60/96/491556096.db2.gz PFAYJJQTPPDMGW-UHFFFAOYSA-N 0 0 353.426 0.860 50 0 FCAARN CS(=O)(=O)N1CCC(C(=O)NCc2cn(-c3cccs3)nn2)CC1 ZINC000575615001 491556204 /nfs/dbraw/zinc/55/62/04/491556204.db2.gz BFPWQBQWHACYFG-UHFFFAOYSA-N 0 0 369.472 0.617 50 0 FCAARN O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCNC1=O ZINC000584886262 491718475 /nfs/dbraw/zinc/71/84/75/491718475.db2.gz DVJIUUMEMHOCBP-LBPRGKRZSA-N 0 0 374.850 0.196 50 0 FCAARN CC(C)Oc1ccccc1CCNC(=O)N1CCN2CCNC(=O)[C@H]2C1 ZINC000584890223 491718536 /nfs/dbraw/zinc/71/85/36/491718536.db2.gz YEBICDZFNLZBIF-MRXNPFEDSA-N 0 0 360.458 0.842 50 0 FCAARN CCS(=O)(=O)CCNC(=O)c1cccc(-c2cnc3ncnn3c2)c1 ZINC000584895177 491718914 /nfs/dbraw/zinc/71/89/14/491718914.db2.gz BMVIMHXHNXRDDL-UHFFFAOYSA-N 0 0 359.411 0.956 50 0 FCAARN Cn1nc(C(N)=O)c2c1CCN(C(=O)NCc1cnc3c(c1)CCC3)C2 ZINC000584897465 491719010 /nfs/dbraw/zinc/71/90/10/491719010.db2.gz PXMPBSBGEIUGEB-UHFFFAOYSA-N 0 0 354.414 0.671 50 0 FCAARN CN(CCNC(=O)c1ccc(-c2cnc3nncn3c2)cc1)S(C)(=O)=O ZINC000584902568 491719185 /nfs/dbraw/zinc/71/91/85/491719185.db2.gz KSADRPDBYXAROA-UHFFFAOYSA-N 0 0 374.426 0.413 50 0 FCAARN Cn1cc(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c(C(N)=O)n1 ZINC000585114306 491720284 /nfs/dbraw/zinc/72/02/84/491720284.db2.gz GSTBTUUDHMHEHJ-SFYZADRCSA-N 0 0 350.297 0.442 50 0 FCAARN COc1c2c(c(CNC(=O)[C@@H]3CCCO3)c3c1C(=O)N(C)CC3)OCO2 ZINC000604405160 492060204 /nfs/dbraw/zinc/06/02/04/492060204.db2.gz XMLFLALECBIJLA-LBPRGKRZSA-N 0 0 362.382 0.847 50 0 biogenic FCAARN COc1cccc(N2CCN(C(=O)CCC(=O)N3CCNC(=O)C3)CC2)c1 ZINC000604418833 492060537 /nfs/dbraw/zinc/06/05/37/492060537.db2.gz JCJKKEPCBPZXAE-UHFFFAOYSA-N 0 0 374.441 0.082 50 0 FCAARN O=C(NCCc1noc2ccccc21)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000628039376 492451426 /nfs/dbraw/zinc/45/14/26/492451426.db2.gz LXISGXUXRXNJRO-DLBZAZTESA-N 0 0 373.409 0.893 50 0 FCAARN COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)CC2 ZINC000622431143 492474624 /nfs/dbraw/zinc/47/46/24/492474624.db2.gz UTEMEDQDPBTNFI-QMMMGPOBSA-N 0 0 358.324 0.922 50 0 FCAARN Cc1c(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cccc1N(C)C ZINC000626481229 492983381 /nfs/dbraw/zinc/98/33/81/492983381.db2.gz SOXLPRWEWCMYJP-ZDUSSCGKSA-N 0 0 370.475 0.843 50 0 FCAARN COCCn1cc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cn1 ZINC000661127014 493409736 /nfs/dbraw/zinc/40/97/36/493409736.db2.gz HHGATUUSNFJKFD-OAHLLOKOSA-N 0 0 357.414 0.916 50 0 FCAARN O=C([O-])C1(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)CC1 ZINC000670444361 493568160 /nfs/dbraw/zinc/56/81/60/493568160.db2.gz NGJUJYKFPIYNOO-CZDRUDQFSA-N 0 0 355.438 0.535 50 0 FCAARN O=C(NCCc1noc(CO)n1)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000670473359 493570609 /nfs/dbraw/zinc/57/06/09/493570609.db2.gz SYHSGACSRQNPTM-GOSISDBHSA-N 0 0 371.397 0.800 50 0 FCAARN O=C(CCC(=O)N1CCN(Cc2cccnc2)CC1)N1CCC(O)CC1 ZINC000677949672 493626684 /nfs/dbraw/zinc/62/66/84/493626684.db2.gz WKETWADXXUZSCQ-UHFFFAOYSA-N 0 0 360.458 0.489 50 0 FCAARN COC(=O)c1cn([C@H](CO)[C@H](O)c2ccc(N)cc2)cc2c(=O)[nH]nc1-2 ZINC000409415484 534304350 /nfs/dbraw/zinc/30/43/50/534304350.db2.gz LOZYPNQGFGOHAJ-UKRRQHHQSA-N 0 0 358.354 0.724 50 0 FCAARN CC(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000082107662 519650247 /nfs/dbraw/zinc/65/02/47/519650247.db2.gz QBBZONHHWJFZKH-LJQANCHMSA-N 0 0 358.442 0.949 50 0 FCAARN CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(Cl)cc1Cl ZINC000241930324 519701492 /nfs/dbraw/zinc/70/14/92/519701492.db2.gz UHQRLFPKGHQKEN-XVIXHAIJSA-N 0 0 366.197 0.316 50 0 FCAARN CC(C)c1nc(CN(C)C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)no1 ZINC000082086649 519861522 /nfs/dbraw/zinc/86/15/22/519861522.db2.gz VGTUJGZNNUEVPA-LBPRGKRZSA-N 0 0 358.464 0.660 50 0 FCAARN CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000253381377 520563053 /nfs/dbraw/zinc/56/30/53/520563053.db2.gz DOMSBGXMTOVLON-GPNFVODBSA-N 0 0 357.410 0.588 50 0 FCAARN CCCn1cnc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000089960727 521663658 /nfs/dbraw/zinc/66/36/58/521663658.db2.gz XLUFVOHZNAAADW-CYBMUJFWSA-N 0 0 356.448 0.305 50 0 FCAARN COCCn1cnnc1[C@H](C)NC(=O)CCc1nc2ccccc2[nH]c1=O ZINC000091364762 522142943 /nfs/dbraw/zinc/14/29/43/522142943.db2.gz XSQMRKRPVJYNGV-LBPRGKRZSA-N 0 0 370.413 0.971 50 0 FCAARN COC(=O)c1ccoc1CN(Cc1ccco1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000241287126 522301340 /nfs/dbraw/zinc/30/13/40/522301340.db2.gz LKDIMOHDHNCWGB-ZIAGYGMSSA-N 0 0 369.395 0.819 50 0 FCAARN CN(CC(=O)N1CCC(CCn2cccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000091535167 522428279 /nfs/dbraw/zinc/42/82/79/522428279.db2.gz IHFZWGOGGTZKCF-INIZCTEOSA-N 0 0 368.503 0.631 50 0 FCAARN CCc1nccn1CC(=O)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1 ZINC000091708199 522581219 /nfs/dbraw/zinc/58/12/19/522581219.db2.gz SLUFQUZIDFVIMB-CVEARBPZSA-N 0 0 350.463 0.235 50 0 FCAARN COC(=O)C1CCN(C(=O)COC(=O)c2cc(OC)ccc2O)CC1 ZINC000009058133 522910224 /nfs/dbraw/zinc/91/02/24/522910224.db2.gz MZBDWOCAYCPYNI-UHFFFAOYSA-N 0 0 351.355 0.969 50 0 FCAARN CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000091643456 523147429 /nfs/dbraw/zinc/14/74/29/523147429.db2.gz ZPOJAPFVZQLKRB-AWEZNQCLSA-N 0 0 354.428 0.615 50 0 FCAARN CN(Cc1cc[nH]n1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000091452659 523191437 /nfs/dbraw/zinc/19/14/37/523191437.db2.gz YTZHRFBSKVAUIF-AWEZNQCLSA-N 0 0 361.446 0.619 50 0 FCAARN COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c(F)c1F ZINC000091707838 523675030 /nfs/dbraw/zinc/67/50/30/523675030.db2.gz DRZGHXBVOOQABN-CHWSQXEVSA-N 0 0 370.396 0.986 50 0 FCAARN CN1CCN(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)CC1 ZINC000082157791 523877054 /nfs/dbraw/zinc/87/70/54/523877054.db2.gz OSVGZSNKNWJZPJ-UHFFFAOYSA-N 0 0 374.489 0.873 50 0 FCAARN CNC(=O)CN1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 ZINC000079067879 524073144 /nfs/dbraw/zinc/07/31/44/524073144.db2.gz XMGJRYWQJKBOFP-UHFFFAOYSA-N 0 0 356.430 0.827 50 0 FCAARN C[C@@H]1CCCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000078739213 524216421 /nfs/dbraw/zinc/21/64/21/524216421.db2.gz VMOGPJALMVVYGE-OAGGEKHMSA-N 0 0 358.504 0.913 50 0 FCAARN COc1ccc(F)c(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1F ZINC000091536626 524270430 /nfs/dbraw/zinc/27/04/30/524270430.db2.gz VJZQIGUKRNFGCK-CHWSQXEVSA-N 0 0 370.396 0.986 50 0 FCAARN Cc1cccc(C)c1OCCNC(=O)C(=O)NCCCN1CCOCC1 ZINC000019831470 524315177 /nfs/dbraw/zinc/31/51/77/524315177.db2.gz IMEQYHTXRNNJRA-UHFFFAOYSA-N 0 0 363.458 0.637 50 0 FCAARN COc1ccccc1CN(C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000020537354 524425842 /nfs/dbraw/zinc/42/58/42/524425842.db2.gz KKTNRHWRVXXNFU-UHFFFAOYSA-N 0 0 374.445 0.563 50 0 FCAARN Cc1cc(CC(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)on1 ZINC000082120664 524623141 /nfs/dbraw/zinc/62/31/41/524623141.db2.gz OYEHZEFKDUTFJT-UHFFFAOYSA-N 0 0 360.418 0.926 50 0 FCAARN C[C@H](NC(=O)CCC(=O)N1CCN([C@@H](C)C(N)=O)CC1)c1ccccc1 ZINC000089905522 524925229 /nfs/dbraw/zinc/92/52/29/524925229.db2.gz WODDMQPGKVBMMI-GJZGRUSLSA-N 0 0 360.458 0.662 50 0 FCAARN CC(=O)N1CCc2c(nc(C)nc2N2CCC(O)(Cn3ccnc3)CC2)C1 ZINC000071681566 534819722 /nfs/dbraw/zinc/81/97/22/534819722.db2.gz JNDNWTCURQMMOD-UHFFFAOYSA-N 0 0 370.457 0.918 50 0 FCAARN C[C@@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1cccs1 ZINC000020952324 525107136 /nfs/dbraw/zinc/10/71/36/525107136.db2.gz QJETXJWHUHREKD-CYBMUJFWSA-N 0 0 350.488 0.822 50 0 FCAARN Cc1n[nH]c(C)c1CNC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299799850 534838710 /nfs/dbraw/zinc/83/87/10/534838710.db2.gz UWKGVVFQWINULW-AWEZNQCLSA-N 0 0 354.476 0.542 50 0 FCAARN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cn1ncc2ccccc21 ZINC000079094039 525209089 /nfs/dbraw/zinc/20/90/89/525209089.db2.gz GGNWFNCDQSEXGP-GXTWGEPZSA-N 0 0 350.444 0.870 50 0 FCAARN COc1ccc2c(c1)[C@H](C(=O)NCCSc1nnnn1C)CC(=O)N2 ZINC000091691118 525584129 /nfs/dbraw/zinc/58/41/29/525584129.db2.gz UDARLCBRYRCIND-LLVKDONJSA-N 0 0 362.415 0.553 50 0 FCAARN COc1cccc(CN2CCN(C(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CC2)c1 ZINC000091663446 525942941 /nfs/dbraw/zinc/94/29/41/525942941.db2.gz LOMVQLPGKWURSW-INIZCTEOSA-N 0 0 374.441 0.622 50 0 FCAARN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000252457285 525984118 /nfs/dbraw/zinc/98/41/18/525984118.db2.gz UZBSKQJZSQINAW-RBSFLKMASA-N 0 0 369.425 0.465 50 0 FCAARN C[C@H](C(N)=O)N1CCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000089905524 526192899 /nfs/dbraw/zinc/19/28/99/526192899.db2.gz WODDMQPGKVBMMI-LSDHHAIUSA-N 0 0 360.458 0.662 50 0 FCAARN CSc1nccc(N2CCn3nc(CCC(=O)NCCO)cc3C2)n1 ZINC000082097611 526222542 /nfs/dbraw/zinc/22/25/42/526222542.db2.gz GFPFXOXDCJJWLS-UHFFFAOYSA-N 0 0 362.459 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Cc1nnc([C@@H]2CCN(C(=O)CCO)CCN2C(=O)Cc2ccccc2)[nH]1 ZINC000675014912 1183114212 /nfs/dbraw/zinc/11/42/12/1183114212.db2.gz QIROIHLFJXNOMK-INIZCTEOSA-N 0 0 371.441 0.840 50 0 FCAARN CCn1nccc1C(=O)N1CC[C@@H](n2cc(COc3cnccn3)nn2)C1 ZINC000675019024 1183114413 /nfs/dbraw/zinc/11/44/13/1183114413.db2.gz DNYWDFVPJIUGPI-CQSZACIVSA-N 0 0 368.401 0.951 50 0 FCAARN COCCn1nc2n(c1=O)CC[C@H](CC(=O)NCCn1ccnc1)CC2 ZINC000675016964 1183114492 /nfs/dbraw/zinc/11/44/92/1183114492.db2.gz IPNHPDINKNOUCC-CQSZACIVSA-N 0 0 362.434 0.047 50 0 FCAARN COCCn1nnnc1[C@]1(N(C)C)CCN(C(=O)NC2CCCCC2)C1 ZINC000675020956 1183115351 /nfs/dbraw/zinc/11/53/51/1183115351.db2.gz AQYRPEWGWCBDKE-KRWDZBQOSA-N 0 0 365.482 0.824 50 0 FCAARN CCCNC(=O)N1CCC[C@](c2nnnn2CCOC)(N2CCCC2)C1 ZINC000675022949 1183115655 /nfs/dbraw/zinc/11/56/55/1183115655.db2.gz UIGCRLCVDZLAMP-KRWDZBQOSA-N 0 0 365.482 0.826 50 0 FCAARN COC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000005183037 1186226698 /nfs/dbraw/zinc/22/66/98/1186226698.db2.gz 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COc1cc(CNC(=O)[C@@H]2CCN(c3cn[nH]c(=O)c3)C2)cc(OC)c1 ZINC000169785424 1196782756 /nfs/dbraw/zinc/78/27/56/1196782756.db2.gz HELSSJDIAKVJBU-CYBMUJFWSA-N 0 0 358.398 0.930 50 0 FCAARN Cc1ccc(CN2CCn3nnc(CCC(=O)N4CCOCC4)c3C2)o1 ZINC000169785681 1196782823 /nfs/dbraw/zinc/78/28/23/1196782823.db2.gz MKSNSNPAJAPTED-UHFFFAOYSA-N 0 0 359.430 0.987 50 0 FCAARN Cc1ccn(CC(=O)N(C)[C@H]2CCc3nn(CC4CC4)c(=O)n3CC2)n1 ZINC000169783353 1196783487 /nfs/dbraw/zinc/78/34/87/1196783487.db2.gz RHNHCKSQUOYHIW-HNNXBMFYSA-N 0 0 358.446 0.823 50 0 FCAARN Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccc3nnnn3c2)cc1 ZINC000825176947 1197794009 /nfs/dbraw/zinc/79/40/09/1197794009.db2.gz YVVZNALSSXLEQD-UHFFFAOYSA-N 0 0 374.426 0.531 50 0 FCAARN Cn1ncc(N2CC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)cc1=O ZINC000575314859 1198043789 /nfs/dbraw/zinc/04/37/89/1198043789.db2.gz SMJHYMZZDHGQPR-OAHLLOKOSA-N 0 0 368.441 0.350 50 0 FCAARN Cn1nccc1C(=O)N1CC(n2cc(C(=O)NCc3ccccc3)nn2)C1 ZINC000575552079 1198060018 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FCAARN Cc1cnc(C(=O)NC[C@H]2CCCN(C(=O)CCCn3cncn3)C2)cn1 ZINC000952977510 1206216882 /nfs/dbraw/zinc/21/68/82/1206216882.db2.gz UCEGICSSMNIDQI-OAHLLOKOSA-N 0 0 371.445 0.825 50 0 FCAARN Cn1ccnc1CN1CCOC2(CCN(c3cc(=O)nc(N)[nH]3)CC2)C1 ZINC000952992309 1206217324 /nfs/dbraw/zinc/21/73/24/1206217324.db2.gz ZJYXAEGVZWDFLZ-UHFFFAOYSA-N 0 0 359.434 0.369 50 0 FCAARN COCCN1C[C@@H](C(=O)Nc2ccc(OC)c(C(=O)N(C)C)c2)CC1=O ZINC000952982981 1206217645 /nfs/dbraw/zinc/21/76/45/1206217645.db2.gz NIBZVZILOFGKTD-LBPRGKRZSA-N 0 0 363.414 0.830 50 0 FCAARN Cc1cnc(C(=O)NC[C@H]2CCCN(CC(=O)Nc3ccn(C)n3)C2)cn1 ZINC000952983038 1206217901 /nfs/dbraw/zinc/21/79/01/1206217901.db2.gz SGBBVDPERWYXFK-CQSZACIVSA-N 0 0 371.445 0.599 50 0 FCAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000952991015 1206218594 /nfs/dbraw/zinc/21/85/94/1206218594.db2.gz NXBMVNMCERIQGF-CQSZACIVSA-N 0 0 370.434 0.522 50 0 FCAARN NC(=O)c1cccnc1N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000131916750 1211332432 /nfs/dbraw/zinc/33/24/32/1211332432.db2.gz RRAWLOWAGOOFAI-UHFFFAOYSA-N 0 0 364.413 0.478 50 0 FCAARN CN1N=C(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)CCC1=O ZINC000012704083 1212322091 /nfs/dbraw/zinc/32/20/91/1212322091.db2.gz ZGHJDINJYBMJGJ-OAHLLOKOSA-N 0 0 356.426 0.945 50 0 FCAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCC(O)CC1 ZINC000015063226 1213945890 /nfs/dbraw/zinc/94/58/90/1213945890.db2.gz OWSXWHUDDXHUJM-OAHLLOKOSA-N 0 0 367.396 0.639 50 0 FCAARN CN1N=C(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)CCC1=O ZINC000012595422 1245290136 /nfs/dbraw/zinc/29/01/36/1245290136.db2.gz XMHZEDRYTQFBJA-CQSZACIVSA-N 0 0 354.410 0.479 50 0 FCAARN COc1ccc(CCNC(=O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC001506417443 1264319242 /nfs/dbraw/zinc/31/92/42/1264319242.db2.gz IQTXZHGRGFXELG-UHFFFAOYSA-N 0 0 358.446 0.934 50 0 FCAARN Cn1cnnc1SCC(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC001506418580 1264319524 /nfs/dbraw/zinc/31/95/24/1264319524.db2.gz SAPMZDQDXSFYEV-UHFFFAOYSA-N 0 0 358.420 0.636 50 0 FCAARN Cc1cc(C[C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@H]2O)on1 ZINC001529094652 1267025642 /nfs/dbraw/zinc/02/56/42/1267025642.db2.gz IZMAQEAWQDPYKA-IUODEOHRSA-N 0 0 357.366 0.953 50 0 FCAARN CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(F)cc(F)c2F)C[C@H]1O ZINC001529107118 1267029006 /nfs/dbraw/zinc/02/90/06/1267029006.db2.gz WMLXEHCOIJQIGR-GXFFZTMASA-N 0 0 352.378 0.788 50 0 FCAARN Cn1nnc(-c2ccc(C(=O)N3CCN4[C@@H](COC[C@@H]4C4CC4)C3)cc2)n1 ZINC001529120369 1267030050 /nfs/dbraw/zinc/03/00/50/1267030050.db2.gz YAVBKVLSBBYYGX-IAGOWNOFSA-N 0 0 368.441 0.812 50 0 FCAARN COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(Cc2nnc(C)[nH]2)CC1 ZINC001529145267 1267034185 /nfs/dbraw/zinc/03/41/85/1267034185.db2.gz FXYRAGJBASNWKV-CQSZACIVSA-N 0 0 364.450 0.768 50 0 FCAARN Cc1cnc(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)cn1 ZINC001529155616 1267035751 /nfs/dbraw/zinc/03/57/51/1267035751.db2.gz WGHVSWYLEKAGKV-MSOLQXFVSA-N 0 0 367.409 0.927 50 0 FCAARN Cc1ccc(Cl)cc1C(=O)N1C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001529153148 1267036130 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KAPGIWZZLCJEFR-JTQLQIEISA-N 0 0 353.400 0.419 50 0 FCAARN CSCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)CN(C(C)=O)CCO2 ZINC000824905710 836525328 /nfs/dbraw/zinc/52/53/28/836525328.db2.gz WMOUUUGRHBFYIH-HNNXBMFYSA-N 0 0 371.503 0.484 50 0 FCAARN COCCN1C[C@H](C(=O)NCC(=O)Nc2cc(F)ccc2C)CC1=O ZINC000952861165 836573373 /nfs/dbraw/zinc/57/33/73/836573373.db2.gz DNPHIVBKTBFSNJ-GFCCVEGCSA-N 0 0 351.378 0.684 50 0 FCAARN Cc1cccc(Cn2c(SCC(N)=O)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000637912 210255364 /nfs/dbraw/zinc/25/53/64/210255364.db2.gz UXUMMZLUVCWGME-UHFFFAOYSA-N 0 0 373.438 0.368 50 0 FCAARN CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C ZINC000000637888 210254191 /nfs/dbraw/zinc/25/41/91/210254191.db2.gz YCITUISCIJDXMM-GFCCVEGCSA-N 0 0 373.413 0.224 50 0 FCAARN C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000000631628 210253063 /nfs/dbraw/zinc/25/30/63/210253063.db2.gz GPYLJSOXMBAIPW-NSHDSACASA-N 0 0 360.439 0.955 50 0 biogenic FCAARN Cn1c2nc(SCC(N)=O)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000622456 210252041 /nfs/dbraw/zinc/25/20/41/210252041.db2.gz SGAUQUBCGDVYBE-UHFFFAOYSA-N 0 0 359.411 0.059 50 0 FCAARN Cc1cc(NC(=O)C(=O)N2CCC[C@H](C)C2)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000009037126 210248603 /nfs/dbraw/zinc/24/86/03/210248603.db2.gz BTKWPVSZHOQSBW-JTQLQIEISA-N 0 0 358.402 0.769 50 0 FCAARN C[C@@H](C(=O)Nc1ccccc1C(N)=O)n1c(=O)[nH]c2ccccc2c1=O ZINC000009041984 210247987 /nfs/dbraw/zinc/24/79/87/210247987.db2.gz LFDMFBXJJCLBJT-JTQLQIEISA-N 0 0 352.350 0.988 50 0 biogenic FCAARN Cc1cc(NC(=O)C(=O)NCC(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009039795 210247696 /nfs/dbraw/zinc/24/76/96/210247696.db2.gz QLESNZNPGXJRAH-UHFFFAOYSA-N 0 0 358.402 0.463 50 0 FCAARN Cn1nc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)ccc1=O ZINC000253473529 210215736 /nfs/dbraw/zinc/21/57/36/210215736.db2.gz VTJNDJMTYMLKHV-CYBMUJFWSA-N 0 0 356.338 0.230 50 0 FCAARN O=C(Cc1ccc(Br)cc1)N1CC(N2C(=O)CNC2=O)C1 ZINC000253473201 210215891 /nfs/dbraw/zinc/21/58/91/210215891.db2.gz SORNHAFFSCQNGD-UHFFFAOYSA-N 0 0 352.188 0.754 50 0 FCAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@]21C(=O)Nc2ccccc21 ZINC000245327393 210210910 /nfs/dbraw/zinc/21/09/10/210210910.db2.gz PJRFPGAZODKYNO-XDCWUSSSSA-N 0 0 357.410 0.586 50 0 FCAARN C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)c1cccc(C(=O)NCCF)c1 ZINC000215102164 222640644 /nfs/dbraw/zinc/64/06/44/222640644.db2.gz MKIOGZAKZUVBRC-NSHDSACASA-N 0 0 359.423 0.483 50 0 FCAARN Cn1c(=O)[nH]cc(CC(=O)NCc2cnn(Cc3ccccc3)c2)c1=O ZINC000215337159 222645192 /nfs/dbraw/zinc/64/51/92/222645192.db2.gz SIJGKFOURXDXJV-UHFFFAOYSA-N 0 0 353.382 0.177 50 0 FCAARN CCN(C(=O)CN(C)[C@H]1CCCc2c1cnn2C)[C@@H]1CCS(=O)(=O)C1 ZINC000229969861 210179946 /nfs/dbraw/zinc/17/99/46/210179946.db2.gz DTEWPSFEZOELOE-HIFRSBDPSA-N 0 0 368.503 0.765 50 0 FCAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229520428 210178010 /nfs/dbraw/zinc/17/80/10/210178010.db2.gz AGAVVMUJJQYBOE-CHWSQXEVSA-N 0 0 357.480 0.378 50 0 FCAARN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229520337 210177899 /nfs/dbraw/zinc/17/78/99/210177899.db2.gz NRMBMAXRCBQEAO-CHWSQXEVSA-N 0 0 357.480 0.805 50 0 FCAARN COc1c2c(c(S(=O)(=O)NCC(C)C)c3c1C(=O)N(C)CC3)OCO2 ZINC000218051040 210175221 /nfs/dbraw/zinc/17/52/21/210175221.db2.gz GVHFGMQLTMLFFW-UHFFFAOYSA-N 0 0 370.427 0.986 50 0 biogenic FCAARN CN1CCN(C(=O)c2cccc(-c3cncnc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000299799231 530069798 /nfs/dbraw/zinc/06/97/98/530069798.db2.gz DUSWCRFPSLRJNY-SJORKVTESA-N 0 0 372.450 0.697 50 0 FCAARN CN1C[C@@]2(CCN(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)C2)OC1=O ZINC000218993925 222691770 /nfs/dbraw/zinc/69/17/70/222691770.db2.gz RGEBJKJRCHSZDN-MRXNPFEDSA-N 0 0 360.349 0.532 50 0 FCAARN COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)ccc1F ZINC000219906074 222709895 /nfs/dbraw/zinc/70/98/95/222709895.db2.gz KMZILTQJWJJKLR-UKRRQHHQSA-N 0 0 354.378 0.826 50 0 FCAARN COC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C ZINC000327283211 210136306 /nfs/dbraw/zinc/13/63/06/210136306.db2.gz JYTBLDGZYWQZRN-CYBMUJFWSA-N 0 0 369.443 0.587 50 0 FCAARN CNC(=O)c1cccc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1 ZINC000220695073 222720521 /nfs/dbraw/zinc/72/05/21/222720521.db2.gz GLJMLICXWHRLSH-CVEARBPZSA-N 0 0 368.455 0.909 50 0 FCAARN O=C(CN1C(=O)CNC1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000221378460 222724830 /nfs/dbraw/zinc/72/48/30/222724830.db2.gz GHHJMNYHCPVPRK-OLZOCXBDSA-N 0 0 351.334 0.030 50 0 FCAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC000222231368 222731211 /nfs/dbraw/zinc/73/12/11/222731211.db2.gz GAAZVFZKCUOYGG-TXEJJXNPSA-N 0 0 355.402 0.817 50 0 FCAARN CN(C)C(=O)CN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC000299792291 210034160 /nfs/dbraw/zinc/03/41/60/210034160.db2.gz GVWFJCDHIXPFQU-HUUCEWRRSA-N 0 0 353.850 0.522 50 0 FCAARN O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCC(c2nnc3ccccn32)CC1 ZINC000299791599 210032836 /nfs/dbraw/zinc/03/28/36/210032836.db2.gz FPRIAFNEPASMBA-LBPRGKRZSA-N 0 0 356.386 0.424 50 0 FCAARN Cc1cc2nc(C(=O)N3CC[C@H]4[C@H](C3)OCc3cnnn34)cc(C)n2n1 ZINC000299788939 210030926 /nfs/dbraw/zinc/03/09/26/210030926.db2.gz XJXYHMCICWQHSE-GJZGRUSLSA-N 0 0 353.386 0.924 50 0 FCAARN CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000299788985 210030390 /nfs/dbraw/zinc/03/03/90/210030390.db2.gz VSGMLQRWJYZXCP-CQSZACIVSA-N 0 0 354.428 0.402 50 0 FCAARN CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc3ccccc3n2C)[C@H](O)C1 ZINC000299786068 210029574 /nfs/dbraw/zinc/02/95/74/210029574.db2.gz MRDJLOLGHNEAMY-RHSMWYFYSA-N 0 0 358.442 0.432 50 0 FCAARN O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CCc2c(=O)[nH]cnc2C1 ZINC000299786457 210029180 /nfs/dbraw/zinc/02/91/80/210029180.db2.gz LSCGKITVYLPYSR-LBPRGKRZSA-N 0 0 353.382 0.511 50 0 FCAARN CC1=C(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)SC2=NCCN12 ZINC000299786323 210028842 /nfs/dbraw/zinc/02/88/42/210028842.db2.gz KZYWEBHNJPZMNY-UHFFFAOYSA-N 0 0 363.487 0.496 50 0 FCAARN C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1 ZINC000299786037 210028261 /nfs/dbraw/zinc/02/82/61/210028261.db2.gz VMOULXSLZKUCOZ-AWEZNQCLSA-N 0 0 371.445 0.876 50 0 FCAARN CCc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)o1 ZINC000299784079 210027834 /nfs/dbraw/zinc/02/78/34/210027834.db2.gz WLNUIEAGNZSUTE-CYBMUJFWSA-N 0 0 361.402 0.540 50 0 FCAARN Cc1nc(N)ncc1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 ZINC000299785504 210027201 /nfs/dbraw/zinc/02/72/01/210027201.db2.gz SORGXILPUVEDSV-UHFFFAOYSA-N 0 0 369.429 0.636 50 0 FCAARN Cc1ccc(NCCCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000299778892 210022764 /nfs/dbraw/zinc/02/27/64/210022764.db2.gz PBVYXQIJAJMHBS-CQSZACIVSA-N 0 0 354.476 0.427 50 0 FCAARN Cc1ccc2c(c1)c(C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1)nn2C ZINC000299772342 210019377 /nfs/dbraw/zinc/01/93/77/210019377.db2.gz YYBGGTALEHXQPW-LBPRGKRZSA-N 0 0 366.443 0.272 50 0 FCAARN Cc1[nH][nH]c(=O)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000299765612 210014980 /nfs/dbraw/zinc/01/49/80/210014980.db2.gz IMFKLBIJOSAJTJ-UHFFFAOYSA-N 0 0 358.398 0.627 50 0 FCAARN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC000299766350 210014804 /nfs/dbraw/zinc/01/48/04/210014804.db2.gz CYIJZFXEJPWKSZ-QZTJIDSGSA-N 0 0 372.469 0.658 50 0 FCAARN C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264913927 210014398 /nfs/dbraw/zinc/01/43/98/210014398.db2.gz IEOSTOATPWQMQS-GWCFXTLKSA-N 0 0 373.862 0.841 50 0 FCAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2snnc2C)o1 ZINC000299763844 210012988 /nfs/dbraw/zinc/01/29/88/210012988.db2.gz FMAOUAACHWWBCG-CYBMUJFWSA-N 0 0 363.443 0.755 50 0 FCAARN Cn1c(CO)nnc1C1CCN(C(=O)Cn2nc3ccccc3n2)CC1 ZINC000299757025 210008071 /nfs/dbraw/zinc/00/80/71/210008071.db2.gz HDEWVORHHMSFDV-UHFFFAOYSA-N 0 0 355.402 0.458 50 0 FCAARN CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1CCCCn3nnnc31)CC2 ZINC000299756575 210008135 /nfs/dbraw/zinc/00/81/35/210008135.db2.gz DZXNZEVDFBZFGB-GFCCVEGCSA-N 0 0 372.433 0.130 50 0 FCAARN CSCCN1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1 ZINC000299760754 210010348 /nfs/dbraw/zinc/01/03/48/210010348.db2.gz XCRLRCJMRBSXPA-UHFFFAOYSA-N 0 0 362.459 0.548 50 0 FCAARN CO[C@]12CCN(C(=O)Cc3nc4nc(C)cc(C)n4n3)[C@H]1C[C@@H](O)CC2 ZINC000299757730 210009866 /nfs/dbraw/zinc/00/98/66/210009866.db2.gz ASLLFZRFTWUZBY-SUNYJGFJSA-N 0 0 359.430 0.815 50 0 FCAARN CCc1nnsc1C(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299758051 210009107 /nfs/dbraw/zinc/00/91/07/210009107.db2.gz LAHSZTBZZZFISJ-DZJQYVJYSA-N 0 0 353.444 0.729 50 0 FCAARN Cn1ccnc1SCC(=O)N1CCC(c2nnc(CO)n2C)CC1 ZINC000299757413 210008925 /nfs/dbraw/zinc/00/89/25/210008925.db2.gz HCWIJAJBDJFRJB-UHFFFAOYSA-N 0 0 350.448 0.539 50 0 FCAARN CCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C ZINC000000679385 219312575 /nfs/dbraw/zinc/31/25/75/219312575.db2.gz HAJKCHWPCJCFQF-UHFFFAOYSA-N 0 0 363.422 0.691 50 0 FCAARN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 ZINC000285717073 213381895 /nfs/dbraw/zinc/38/18/95/213381895.db2.gz XSIYNAADCIZZJX-LJQANCHMSA-N 0 0 365.393 0.873 50 0 FCAARN CS(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCSC3)c2)CC1 ZINC000225722312 222863469 /nfs/dbraw/zinc/86/34/69/222863469.db2.gz 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/nfs/dbraw/zinc/07/12/87/222071287.db2.gz JMKITKVPZLMMNG-CYBMUJFWSA-N 0 0 356.444 0.919 50 0 FCAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1c[nH]cn1 ZINC000096222858 222085911 /nfs/dbraw/zinc/08/59/11/222085911.db2.gz TVQRGDHCVDBJIG-HNNXBMFYSA-N 0 0 355.398 0.622 50 0 biogenic FCAARN Cc1ccc2nc3c(cc(C(=O)N4CCC(C(N)=O)CC4)n3C)c(=O)n2c1 ZINC000096347373 222116223 /nfs/dbraw/zinc/11/62/23/222116223.db2.gz MHLZDCAZRKAEPD-UHFFFAOYSA-N 0 0 367.409 0.832 50 0 FCAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000096931304 222142436 /nfs/dbraw/zinc/14/24/36/222142436.db2.gz XSBOSZYXDYHMSN-QIAWRQBBSA-N 0 0 371.393 0.396 50 0 FCAARN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000097000630 222148951 /nfs/dbraw/zinc/14/89/51/222148951.db2.gz ALCHVXLROFYBLV-VIFPVBQESA-N 0 0 367.832 0.592 50 0 FCAARN Cc1ccc2[nH]c(COCC(=O)NCCS(=O)(=O)N(C)C)nc2c1 ZINC000097179383 222167236 /nfs/dbraw/zinc/16/72/36/222167236.db2.gz TWFPNUYVQMRPDC-UHFFFAOYSA-N 0 0 354.432 0.396 50 0 FCAARN CC(C)n1cnnc1CN1C[C@H]2C[N@@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000097413254 222178584 /nfs/dbraw/zinc/17/85/84/222178584.db2.gz WVWPMJXZVCRETA-KSSFIOAISA-N 0 0 363.462 0.856 50 0 FCAARN CCNC(=O)[C@@H]1C[C@H](Nc2ncnc3nc[nH]c32)CN1Cc1ccccn1 ZINC000097495521 222185673 /nfs/dbraw/zinc/18/56/73/222185673.db2.gz NGPJZTDOLVZUFM-KBPBESRZSA-N 0 0 366.429 0.939 50 0 FCAARN Cc1nonc1CN1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000097514327 222187430 /nfs/dbraw/zinc/18/74/30/222187430.db2.gz YPELVWPUNXUUQQ-SJORKVTESA-N 0 0 362.455 0.861 50 0 FCAARN COCCn1nnnc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)CCO1 ZINC000097655373 222202886 /nfs/dbraw/zinc/20/28/86/222202886.db2.gz BUFPVEBPPGAVKH-LBPRGKRZSA-N 0 0 366.447 0.535 50 0 FCAARN Cc1cccnc1CNC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097713670 222207573 /nfs/dbraw/zinc/20/75/73/222207573.db2.gz AXHBAQWTWCQRBD-OAHLLOKOSA-N 0 0 351.472 0.905 50 0 FCAARN CCc1noc(C)c1C(=O)N1CCO[C@H](c2nnnn2CCOC)C1 ZINC000097730159 222208371 /nfs/dbraw/zinc/20/83/71/222208371.db2.gz YEJQKJUXQMNROZ-LBPRGKRZSA-N 0 0 350.379 0.392 50 0 FCAARN O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097766821 222211112 /nfs/dbraw/zinc/21/11/12/222211112.db2.gz SBLSLHVZFFVKAL-CQSZACIVSA-N 0 0 366.439 0.494 50 0 FCAARN CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000097814896 222213944 /nfs/dbraw/zinc/21/39/44/222213944.db2.gz UJLMDNWBWPDSIO-LBPRGKRZSA-N 0 0 364.427 0.467 50 0 FCAARN Cn1c(=O)cc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)n(C)c1=O ZINC000097819649 222215073 /nfs/dbraw/zinc/21/50/73/222215073.db2.gz CCCLWJFMSZNKNA-GDBMZVCRSA-N 0 0 357.410 0.952 50 0 FCAARN CCN1c2ccccc2[C@H](NC(=O)C(=O)NCc2cn(C)nc2C)C1=O ZINC000098170481 222229999 /nfs/dbraw/zinc/22/99/99/222229999.db2.gz MEPIFANIFQWDEY-HNNXBMFYSA-N 0 0 355.398 0.569 50 0 FCAARN CCN1CCn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc2C1=O ZINC000098213047 222232030 /nfs/dbraw/zinc/23/20/30/222232030.db2.gz JZUCSEPLTYLFAY-ZDUSSCGKSA-N 0 0 357.414 0.706 50 0 FCAARN COCCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccncc1 ZINC000100155587 222236890 /nfs/dbraw/zinc/23/68/90/222236890.db2.gz QILMMMJMDIETOE-ZDUSSCGKSA-N 0 0 374.349 0.411 50 0 FCAARN CCCn1c2ccccc2c([O-])c(C(=O)NCCN2CC[NH2+]CC2)c1=O ZINC000100621168 222247609 /nfs/dbraw/zinc/24/76/09/222247609.db2.gz UAYFQAMJHIHLOH-UHFFFAOYSA-N 0 0 358.442 0.752 50 0 FCAARN CCC(=O)/N=c1\sc2cc(S(N)(=O)=O)ccc2n1CC(=O)OC ZINC000100876777 222255254 /nfs/dbraw/zinc/25/52/54/222255254.db2.gz YSSSEBYBKMKALV-SQFISAMPSA-N 0 0 357.413 0.361 50 0 FCAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NC ZINC000100890160 222256737 /nfs/dbraw/zinc/25/67/37/222256737.db2.gz UHPKYGKKTCGZIJ-UHFFFAOYSA-N 0 0 368.386 0.169 50 0 FCAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCN2CCCC2)CC1 ZINC000101535684 222277997 /nfs/dbraw/zinc/27/79/97/222277997.db2.gz GVPZBMHZKYNJMA-UHFFFAOYSA-N 0 0 364.446 0.823 50 0 FCAARN CN1c2ccccc2[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)C1=O ZINC000101685278 222280621 /nfs/dbraw/zinc/28/06/21/222280621.db2.gz MUSFYUDGBGTTKM-OAHLLOKOSA-N 0 0 374.441 0.047 50 0 FCAARN CC(C)N1c2ccccc2[C@@H](NC(=O)C(=O)NCC(=O)N2CCCC2)C1=O ZINC000101660836 222280641 /nfs/dbraw/zinc/28/06/41/222280641.db2.gz LARYEHJQFUBHIM-MRXNPFEDSA-N 0 0 372.425 0.338 50 0 FCAARN O=C(NCCNc1c(=O)c(=O)c1NCc1ccncc1)c1ccncc1 ZINC000101695259 222281102 /nfs/dbraw/zinc/28/11/02/222281102.db2.gz WFCIHDQSPZYFLG-UHFFFAOYSA-N 0 0 351.366 0.527 50 0 FCAARN NS(=O)(=O)N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000102166126 222291429 /nfs/dbraw/zinc/29/14/29/222291429.db2.gz KGPBVJXRWFRKHT-UHFFFAOYSA-N 0 0 351.350 0.596 50 0 FCAARN O=C(NCc1ccccn1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005315250 229146829 /nfs/dbraw/zinc/14/68/29/229146829.db2.gz FGLUMXBLRJCINW-UHFFFAOYSA-N 0 0 374.422 0.876 50 0 FCAARN CN(C(=O)CCCn1nnnc1CN1CCOCC1)C1CCSCC1 ZINC000095503091 229159344 /nfs/dbraw/zinc/15/93/44/229159344.db2.gz LXJHUDDUFBVTGE-UHFFFAOYSA-N 0 0 368.507 0.640 50 0 FCAARN COCCn1ccc(=O)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1C ZINC000263585258 229317471 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/nfs/dbraw/zinc/32/05/48/219320548.db2.gz NZLWPEPFGHODEN-UHFFFAOYSA-N 0 0 367.471 0.793 50 0 FCAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CC(N)=O)C2=O)cc1 ZINC000000783804 219320722 /nfs/dbraw/zinc/32/07/22/219320722.db2.gz FHMAQHQGROODIJ-IBGZPJMESA-N 0 0 354.362 0.988 50 0 FCAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000814458 219325796 /nfs/dbraw/zinc/32/57/96/219325796.db2.gz DDTXKACUKWJNAT-CQSZACIVSA-N 0 0 352.412 0.534 50 0 FCAARN CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1C ZINC000000851787 219330841 /nfs/dbraw/zinc/33/08/41/219330841.db2.gz KEWWBOJCRBVKLD-UHFFFAOYSA-N 0 0 355.398 0.795 50 0 biogenic FCAARN CC(=O)Nc1c(O)nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c1=O ZINC000000887833 219337028 /nfs/dbraw/zinc/33/70/28/219337028.db2.gz QMEHIOSUGCXUGN-UHFFFAOYSA-N 0 0 368.802 0.529 50 0 FCAARN COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c(OC)c1 ZINC000000894040 219337632 /nfs/dbraw/zinc/33/76/32/219337632.db2.gz YZYZBYMLOYEWNJ-CYBMUJFWSA-N 0 0 372.443 0.765 50 0 FCAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000868999 219333778 /nfs/dbraw/zinc/33/37/78/219333778.db2.gz LXEMMRVSKNIZST-UHFFFAOYSA-N 0 0 370.408 0.906 50 0 FCAARN COc1ccc(OC)c(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 ZINC000000879159 219335391 /nfs/dbraw/zinc/33/53/91/219335391.db2.gz UMGJFVBEZJFSPA-CYBMUJFWSA-N 0 0 372.443 0.765 50 0 FCAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@H]2CCCCNC2=O)c1C ZINC000001034483 219356595 /nfs/dbraw/zinc/35/65/95/219356595.db2.gz NBYKYHVFFYMNIV-NSHDSACASA-N 0 0 357.432 0.755 50 0 FCAARN CCOC(=O)CNc1nc(Oc2ccc(OCC)nn2)nc(N(C)C)n1 ZINC000001062548 219362005 /nfs/dbraw/zinc/36/20/05/219362005.db2.gz OXWWQNFYNVMYKU-UHFFFAOYSA-N 0 0 363.378 0.894 50 0 FCAARN Cc1c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c(=O)n(-c2ccccc2)n1C ZINC000001072933 219364287 /nfs/dbraw/zinc/36/42/87/219364287.db2.gz WNZNKUOMIPCVTG-JSGCOSHPSA-N 0 0 361.423 0.634 50 0 FCAARN COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000333856558 215325777 /nfs/dbraw/zinc/32/57/77/215325777.db2.gz QPWSTGJUTBFHHJ-DZKIICNBSA-N 0 0 374.441 0.573 50 0 FCAARN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1C ZINC000285491775 213349876 /nfs/dbraw/zinc/34/98/76/213349876.db2.gz LSFWZZLKBSBCLB-MRXNPFEDSA-N 0 0 354.428 0.159 50 0 FCAARN O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](Oc2cccnn2)C1 ZINC000225417493 222839128 /nfs/dbraw/zinc/83/91/28/222839128.db2.gz XPMMLQXKQIBXOL-HIFRSBDPSA-N 0 0 360.414 0.484 50 0 FCAARN COc1cc(CN2CC(=O)N(CCS(C)(=O)=O)C2=O)cc(OC)c1 ZINC000225455865 222842533 /nfs/dbraw/zinc/84/25/33/222842533.db2.gz ALGNNVOMYAFAHP-UHFFFAOYSA-N 0 0 356.400 0.513 50 0 FCAARN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000225502531 222846095 /nfs/dbraw/zinc/84/60/95/222846095.db2.gz ILIDNFLBCXHNFB-LBPRGKRZSA-N 0 0 358.402 0.320 50 0 FCAARN Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)ccc1F ZINC000225679363 222860135 /nfs/dbraw/zinc/86/01/35/222860135.db2.gz QOOJCNZFBLMFMA-UHFFFAOYSA-N 0 0 373.431 0.714 50 0 FCAARN COc1nccnc1O[C@H]1CCN(C(=O)Cn2cnc(C)c(C)c2=O)C1 ZINC000225808520 222870877 /nfs/dbraw/zinc/87/08/77/222870877.db2.gz JLDTUFURXUPUPZ-ZDUSSCGKSA-N 0 0 359.386 0.339 50 0 FCAARN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](O)c1ccc(F)c(F)c1 ZINC000229670064 222893876 /nfs/dbraw/zinc/89/38/76/222893876.db2.gz IPBCGRMBDRYYHW-ZIAGYGMSSA-N 0 0 362.398 0.929 50 0 FCAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(N(C)C)nc2C)C1 ZINC000244633098 222926586 /nfs/dbraw/zinc/92/65/86/222926586.db2.gz FWMHDPRJDHOOEI-HAQNSBGRSA-N 0 0 359.434 0.631 50 0 FCAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOCC1 ZINC000003217577 219491889 /nfs/dbraw/zinc/49/18/89/219491889.db2.gz TWGUMDGJMJPYPT-ZZXKWVIFSA-N 0 0 366.439 0.580 50 0 FCAARN COc1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc(OC)c1OC ZINC000244678716 222929451 /nfs/dbraw/zinc/92/94/51/222929451.db2.gz IIUGUASERYGOQI-JTQLQIEISA-N 0 0 358.416 0.463 50 0 FCAARN COc1cc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc(OC)c1OC ZINC000244678717 222929587 /nfs/dbraw/zinc/92/95/87/222929587.db2.gz IIUGUASERYGOQI-SNVBAGLBSA-N 0 0 358.416 0.463 50 0 FCAARN C[C@H](C(=O)Nc1ccccn1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000244734925 222934505 /nfs/dbraw/zinc/93/45/05/222934505.db2.gz NOBPCISCRXFZOV-CQSZACIVSA-N 0 0 367.475 0.367 50 0 FCAARN COC(=O)CC(C(=O)OC)=C(C(=O)OC)c1nc2ccccc2[nH]c1=O ZINC000004171480 219552272 /nfs/dbraw/zinc/55/22/72/219552272.db2.gz IXUKXGUQBNMNHS-NRSBDZSJSA-N 0 0 360.322 0.750 50 0 FCAARN CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O ZINC000004186371 219553480 /nfs/dbraw/zinc/55/34/80/219553480.db2.gz DQPATYLWJCKMTG-UMNHJUIQSA-N 0 0 358.439 0.032 50 0 FCAARN COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1C(N)=O ZINC000244986062 222945782 /nfs/dbraw/zinc/94/57/82/222945782.db2.gz JDTSNHPYXUCREV-ONERCXAPSA-N 0 0 370.427 0.409 50 0 FCAARN COc1ccc(CNC(=O)CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000252497535 222974139 /nfs/dbraw/zinc/97/41/39/222974139.db2.gz QKBFCCKQMMHMPR-UHFFFAOYSA-N 0 0 355.460 0.279 50 0 FCAARN CC(=O)c1cccc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 ZINC000004433196 219575588 /nfs/dbraw/zinc/57/55/88/219575588.db2.gz ROFLRQUJJQTVJI-OAHLLOKOSA-N 0 0 354.428 0.950 50 0 FCAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004829805 219611194 /nfs/dbraw/zinc/61/11/94/219611194.db2.gz JRNFDNNGSPUXPH-VIFPVBQESA-N 0 0 371.353 0.362 50 0 FCAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O ZINC000004769959 219605975 /nfs/dbraw/zinc/60/59/75/219605975.db2.gz SKYXKHHLWDTWNU-VIFPVBQESA-N 0 0 361.354 0.281 50 0 FCAARN CCN(CC)C(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000004942042 219628857 /nfs/dbraw/zinc/62/88/57/219628857.db2.gz KROBORZKLRULQT-UHFFFAOYSA-N 0 0 350.444 0.901 50 0 FCAARN Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)no1 ZINC000005232491 219663006 /nfs/dbraw/zinc/66/30/06/219663006.db2.gz BFLGTHUPNJYAJV-SDDRHHMPSA-N 0 0 361.354 0.804 50 0 FCAARN CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000006938621 219783451 /nfs/dbraw/zinc/78/34/51/219783451.db2.gz ZGXYRHJFFBMNDW-UHFFFAOYSA-N 0 0 369.443 0.884 50 0 FCAARN O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1c[nH]nc1-n1cnnn1 ZINC000299755721 223081125 /nfs/dbraw/zinc/08/11/25/223081125.db2.gz CDCVYBDFAXVVOH-CYBMUJFWSA-N 0 0 368.401 0.485 50 0 FCAARN Cc1ncn(CC(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1C ZINC000299758689 223082773 /nfs/dbraw/zinc/08/27/73/223082773.db2.gz MDKXZENCYPMDIX-IAGOWNOFSA-N 0 0 361.446 0.856 50 0 FCAARN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000008883600 219871443 /nfs/dbraw/zinc/87/14/43/219871443.db2.gz OTINLODGAFEOCK-CQSZACIVSA-N 0 0 351.428 0.813 50 0 FCAARN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(OC)nc2)ccc1OC ZINC000008745332 219868638 /nfs/dbraw/zinc/86/86/38/219868638.db2.gz QNWVOHOIQZZBNH-UHFFFAOYSA-N 0 0 365.411 0.937 50 0 FCAARN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000299763119 223084882 /nfs/dbraw/zinc/08/48/82/223084882.db2.gz YPGDVODUDGXRSX-OAHLLOKOSA-N 0 0 360.389 0.869 50 0 FCAARN COCCn1cnnc1[C@@H](C)NC(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000299758516 223083153 /nfs/dbraw/zinc/08/31/53/223083153.db2.gz MBLPVUGAGDZBFS-LLVKDONJSA-N 0 0 356.390 0.606 50 0 FCAARN Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000009314195 219877252 /nfs/dbraw/zinc/87/72/52/219877252.db2.gz YKPANKBXLHJYHU-UHFFFAOYSA-N 0 0 372.790 0.516 50 0 FCAARN Cc1nc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C ZINC000009318848 219877532 /nfs/dbraw/zinc/87/75/32/219877532.db2.gz KAUMOSMLNKBOMU-UHFFFAOYSA-N 0 0 362.415 0.536 50 0 FCAARN COc1ccccc1CN1C[C@@H](C(=O)NCCN2CCNC2=O)CC1=O ZINC000299766927 223087274 /nfs/dbraw/zinc/08/72/74/223087274.db2.gz DKMYUEGCWRBTIE-AWEZNQCLSA-N 0 0 360.414 0.185 50 0 FCAARN Cc1ccc2c(c1)c(C(=O)NC[C@@H]1CN(S(C)(=O)=O)CCO1)nn2C ZINC000299772341 223089400 /nfs/dbraw/zinc/08/94/00/223089400.db2.gz YYBGGTALEHXQPW-GFCCVEGCSA-N 0 0 366.443 0.272 50 0 FCAARN O=C(Cn1ncc2ccccc2c1=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299774623 223090297 /nfs/dbraw/zinc/09/02/97/223090297.db2.gz IOJHSECKMNBXDU-HOTGVXAUSA-N 0 0 366.381 0.360 50 0 FCAARN O=C(NCc1noc([C@@H]2CCCO2)n1)c1ccc(Cn2cnnn2)cc1 ZINC000299780118 223093384 /nfs/dbraw/zinc/09/33/84/223093384.db2.gz MGAFSDDNJTYNLD-ZDUSSCGKSA-N 0 0 355.358 0.886 50 0 FCAARN CN(C)C1=NC2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C(=O)N1 ZINC000299784339 223095526 /nfs/dbraw/zinc/09/55/26/223095526.db2.gz ZUBBLLUKCNIBCW-UHFFFAOYSA-N 0 0 368.441 0.904 50 0 FCAARN CN(C)S(=O)(=O)c1cc(N)cc(C(=O)NCCCn2ccnc2)c1 ZINC000299801082 223104935 /nfs/dbraw/zinc/10/49/35/223104935.db2.gz VQYALLAYTOLDCG-UHFFFAOYSA-N 0 0 351.432 0.536 50 0 FCAARN Cc1nn(CCO)cc1CN1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299797269 223101528 /nfs/dbraw/zinc/10/15/28/223101528.db2.gz QIMINJAGJUVBAJ-UHFFFAOYSA-N 0 0 368.445 0.798 50 0 FCAARN Cc1ccc2c(c1)c(CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)nn2C ZINC000299796168 223101845 /nfs/dbraw/zinc/10/18/45/223101845.db2.gz OFENAYOBEUNTBB-ZDUSSCGKSA-N 0 0 364.471 0.617 50 0 FCAARN Cc1nnnn1-c1ccc(CC(=O)NCC2CCS(=O)(=O)CC2)cc1 ZINC000299799674 223103125 /nfs/dbraw/zinc/10/31/25/223103125.db2.gz 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