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/nfs/dbraw/zinc/24/66/80/211246680.db2.gz AOCLWEFQWPVLDY-UHFFFAOYSA-N 0 1 393.469 0.650 50 0 GCAAMN CCn1nccc1C(=O)N1CCN(C)[C@]2(C1)CCC(=O)N(CCOC)CC2 ZINC000095383626 211233486 /nfs/dbraw/zinc/23/34/86/211233486.db2.gz QUQGRVVTTMBBOO-LJQANCHMSA-N 0 1 377.489 0.688 50 0 GCAAMN O=C(CCn1cnnn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095379055 211232483 /nfs/dbraw/zinc/23/24/83/211232483.db2.gz NCBWQFYPODGTFE-CWFSZBLJSA-N 0 1 396.451 0.881 50 0 GCAAMN Cc1nn2c([n-]1)nc(C[N@H+]1CC[C@H](N3CCOCC3)[C@H](CCCO)C1)cc2=O ZINC000091966308 211211550 /nfs/dbraw/zinc/21/15/50/211211550.db2.gz GPLLZOKLXLXNQF-WBVHZDCISA-N 0 1 390.488 0.434 50 0 GCAAMN Cc1nn2c([n-]1)nc(CN1CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C1)cc2=O ZINC000091966308 211211553 /nfs/dbraw/zinc/21/15/53/211211553.db2.gz GPLLZOKLXLXNQF-WBVHZDCISA-N 0 1 390.488 0.434 50 0 GCAAMN O=C1CCC2(CCN(S(=O)(=O)c3cn[nH]c3)CC2)CN1CCc1cnc[nH]1 ZINC000091872462 211210434 /nfs/dbraw/zinc/21/04/34/211210434.db2.gz HLGHTWJKCGKARI-UHFFFAOYSA-N 0 1 392.485 0.769 50 0 GCAAMN C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1)n1cnnn1 ZINC000092077422 211214606 /nfs/dbraw/zinc/21/46/06/211214606.db2.gz XWFRGMSXDSSXDW-AWEZNQCLSA-N 0 1 386.460 0.431 50 0 GCAAMN CCNc1ncc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cn1 ZINC000091713988 211204240 /nfs/dbraw/zinc/20/42/40/211204240.db2.gz AUYRRHFXTLJQLH-LJQANCHMSA-N 0 1 377.489 0.844 50 0 GCAAMN Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3S(C)(=O)=O)no1 ZINC000091643591 211199294 /nfs/dbraw/zinc/19/92/94/211199294.db2.gz DNXQWAGNZFNQIP-UHFFFAOYSA-N 0 1 379.442 0.655 50 0 GCAAMN Cn1ncc(N2CC[C@@H](CNC(=O)c3ccc(-c4nnc[nH]4)cc3)C2)cc1=O ZINC000077539187 211137908 /nfs/dbraw/zinc/13/79/08/211137908.db2.gz UFVMMNOQEDXTLV-ZDUSSCGKSA-N 0 1 379.424 0.822 50 0 GCAAMN O=C(N[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C[C@H]1O)c1cnccn1 ZINC000077388474 211132549 /nfs/dbraw/zinc/13/25/49/211132549.db2.gz NNKLVWCEYNNQNE-IUODEOHRSA-N 0 1 376.800 0.841 50 0 GCAAMN Nc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)n1 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524557268 /nfs/dbraw/zinc/55/72/68/524557268.db2.gz XOFUUWZWIRZXJC-IAGOWNOFSA-N 0 1 394.541 0.656 50 0 GCAAMN CCCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1 ZINC000065362985 535334560 /nfs/dbraw/zinc/33/45/60/535334560.db2.gz MJOHPZUETBJIDV-UHFFFAOYSA-N 0 1 383.518 0.874 50 0 GCAAMN CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@]2(C(=O)[O-])C1 ZINC000096149255 570214922 /nfs/dbraw/zinc/21/49/22/570214922.db2.gz SCFBQBDARQBKSV-BDJLRTHQSA-N 0 1 380.426 0.448 50 0 GCAAMN COc1cc(COC[C@@H](O)CN2CCN(CCO)CC2)cc(OC)c1OC ZINC000019770857 570218131 /nfs/dbraw/zinc/21/81/31/570218131.db2.gz KBYQIWIUNMYULX-INIZCTEOSA-N 0 1 384.473 0.200 50 0 GCAAMN CCCc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)n[nH]1 ZINC000020137787 570242020 /nfs/dbraw/zinc/24/20/20/570242020.db2.gz VUFBAPICPOIOMG-INIZCTEOSA-N 0 1 391.516 0.891 50 0 GCAAMN CNS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000097657091 570249060 /nfs/dbraw/zinc/24/90/60/570249060.db2.gz QFTBNCWIXYPPJM-UHFFFAOYSA-N 0 1 382.486 0.923 50 0 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CN1Cc2ccccc2C[C@@H]1CNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000426602315 529830845 /nfs/dbraw/zinc/83/08/45/529830845.db2.gz ACFJLAKVMWOWPM-QGZVFWFLSA-N 0 1 380.514 0.720 50 0 GCAAMN Cn1c2[nH]c(=NN)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000013512965 530136116 /nfs/dbraw/zinc/13/61/16/530136116.db2.gz AGVLSXSXSLHOKZ-UHFFFAOYSA-N 0 1 379.218 0.530 50 0 GCAAMN CC(C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)N1CCN(C)CC1 ZINC000187191287 530140705 /nfs/dbraw/zinc/14/07/05/530140705.db2.gz IVTMOLZNDTVETN-CQSZACIVSA-N 0 1 379.477 0.699 50 0 GCAAMN O=C(c1cccc(S(=O)(=O)NCCc2nccs2)c1)N1CCNCC1 ZINC000097819654 530245207 /nfs/dbraw/zinc/24/52/07/530245207.db2.gz WKKMLGGTQRIEFX-UHFFFAOYSA-N 0 1 380.495 0.710 50 0 GCAAMN Cc1cc(S(=O)(=O)N2CCN(C(=O)CCc3nc[nH]n3)CC2)c(C)s1 ZINC000177179963 530622666 /nfs/dbraw/zinc/62/26/66/530622666.db2.gz KPDLZBVUMPFSTC-UHFFFAOYSA-N 0 1 383.499 0.949 50 0 GCAAMN O=C(CCc1nc[nH]n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000176805041 530618693 /nfs/dbraw/zinc/61/86/93/530618693.db2.gz SWLZFHRHTFMKAM-UHFFFAOYSA-N 0 1 383.861 0.924 50 0 GCAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2ccccc2NC1=O ZINC000016034087 207072207 /nfs/dbraw/zinc/07/22/07/207072207.db2.gz XWNOOIIVMBMZTL-AUKZQPGHSA-N 0 1 384.436 0.471 50 0 GCAAMN NC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 ZINC000019848968 207166423 /nfs/dbraw/zinc/16/64/23/207166423.db2.gz MNPMZAUGCVRPFT-KRWDZBQOSA-N 0 1 398.463 0.638 50 0 GCAAMN CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000020026509 207175286 /nfs/dbraw/zinc/17/52/86/207175286.db2.gz ZLGHHFUDWSKMAI-UHFFFAOYSA-N 0 1 396.495 0.424 50 0 GCAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2ccccc2NC1=O ZINC000020565951 207202373 /nfs/dbraw/zinc/20/23/73/207202373.db2.gz IKQZUNAWFMKOIA-BCEDRHLLSA-N 0 1 384.436 0.473 50 0 GCAAMN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCN1CCc2ccccc2C1 ZINC000031339515 207381632 /nfs/dbraw/zinc/38/16/32/207381632.db2.gz ZBFCJVFCHOTWOM-UHFFFAOYSA-N 0 1 378.432 0.864 50 0 GCAAMN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NC(CO)CO)[C@H](c2ccc(OC)cc2)[N@H+]1C ZINC000067692015 207902281 /nfs/dbraw/zinc/90/22/81/207902281.db2.gz YFMYDZKYSAYCOH-BXWFABGCSA-N 0 1 380.441 0.391 50 0 GCAAMN COc1cccc(CN2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2=O)c1 ZINC000077541619 208049103 /nfs/dbraw/zinc/04/91/03/208049103.db2.gz RCNRASIDFAVZBR-INIZCTEOSA-N 0 1 375.469 0.834 50 0 GCAAMN CC(C)Cc1cc(CN2CCN(Cc3ncc[nH]3)[C@@H]3CS(=O)(=O)C[C@@H]32)n[nH]1 ZINC000072432814 208025378 /nfs/dbraw/zinc/02/53/78/208025378.db2.gz DBQIWVAITNBKFN-DLBZAZTESA-N 0 1 392.529 0.815 50 0 GCAAMN CCCn1ccnc1CN1CCN(Cc2cnc[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072435338 208025721 /nfs/dbraw/zinc/02/57/21/208025721.db2.gz NKWCTDQIYLNENJ-JKSUJKDBSA-N 0 1 378.502 0.500 50 0 GCAAMN CC(C)=CCN1CCN(C(=O)CCc2nc(C)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072477977 208033541 /nfs/dbraw/zinc/03/35/41/208033541.db2.gz IDEDFABOWBFOOD-CABCVRRESA-N 0 1 381.502 0.322 50 0 GCAAMN Cc1cc(C)cc(CN2CCN(C(=O)C3(N)CC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000082121949 208078988 /nfs/dbraw/zinc/07/89/88/208078988.db2.gz OMOZVNULNKIISY-SJORKVTESA-N 0 1 377.510 0.605 50 0 GCAAMN Cc1nnc(SCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)[nH]1 ZINC000091547315 208123739 /nfs/dbraw/zinc/12/37/39/208123739.db2.gz BSVBCGXVUOVLDB-UHFFFAOYSA-N 0 1 378.462 0.215 50 0 GCAAMN Cc1n[nH]c(SCC(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)n1 ZINC000091547315 208123744 /nfs/dbraw/zinc/12/37/44/208123744.db2.gz BSVBCGXVUOVLDB-UHFFFAOYSA-N 0 1 378.462 0.215 50 0 GCAAMN CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)CCS(C)(=O)=O)CC2 ZINC000091708033 208136582 /nfs/dbraw/zinc/13/65/82/208136582.db2.gz QQQPYVHEGXJDSF-UHFFFAOYSA-N 0 1 382.486 0.457 50 0 GCAAMN Cc1cn(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c(=O)[nH]c1=O ZINC000095378385 208168545 /nfs/dbraw/zinc/16/85/45/208168545.db2.gz KJCIDXAYPGZPBD-DLBZAZTESA-N 0 1 383.452 0.363 50 0 GCAAMN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)C2 ZINC000095380215 208173224 /nfs/dbraw/zinc/17/32/24/208173224.db2.gz IISVKMHVDZNPEG-CHWSQXEVSA-N 0 1 385.461 0.656 50 0 GCAAMN CC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1cn3cccnc3n1)CC2 ZINC000092001467 208147330 /nfs/dbraw/zinc/14/73/30/208147330.db2.gz ASXSLSKRJJFXGG-UHFFFAOYSA-N 0 1 379.424 0.989 50 0 GCAAMN CC[C@H](CO)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000095443524 208181280 /nfs/dbraw/zinc/18/12/80/208181280.db2.gz WUCYBWGNSSAMNF-QMTMVMCOSA-N 0 1 380.489 0.402 50 0 GCAAMN CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC(=O)N(CC)C1)CC2 ZINC000095499862 208202562 /nfs/dbraw/zinc/20/25/62/208202562.db2.gz MXSKCHOLQNHVRW-AWEZNQCLSA-N 0 1 387.484 0.891 50 0 GCAAMN CCn1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)n1 ZINC000095500925 208202591 /nfs/dbraw/zinc/20/25/91/208202591.db2.gz HFORRSGCKVOAMK-UHFFFAOYSA-N 0 1 386.456 0.789 50 0 GCAAMN COc1ccc(CN2CCOCC2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000095520067 208219545 /nfs/dbraw/zinc/21/95/45/208219545.db2.gz LOFICQFEZWNDGP-GOSISDBHSA-N 0 1 379.501 0.515 50 0 GCAAMN COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000095520066 208220035 /nfs/dbraw/zinc/22/00/35/208220035.db2.gz LOFICQFEZWNDGP-SFHVURJKSA-N 0 1 379.501 0.515 50 0 GCAAMN Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)o1 ZINC000095957634 208244621 /nfs/dbraw/zinc/24/46/21/208244621.db2.gz RIFSRUOLSXVIRF-INIZCTEOSA-N 0 1 377.489 0.738 50 0 GCAAMN C[C@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1nn[nH]n1 ZINC000095531820 208229170 /nfs/dbraw/zinc/22/91/70/208229170.db2.gz VDHMHHVFXZVRJG-NSHDSACASA-N 0 1 394.457 0.494 50 0 GCAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccc(C)n1)CC2 ZINC000095531458 208230181 /nfs/dbraw/zinc/23/01/81/208230181.db2.gz KGOVOMADUZGAEZ-UHFFFAOYSA-N 0 1 386.456 0.464 50 0 GCAAMN CC(=O)c1cc(F)c(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1F ZINC000095944143 208238510 /nfs/dbraw/zinc/23/85/10/208238510.db2.gz UHAYOVWWXFZPCZ-UHFFFAOYSA-N 0 1 391.327 0.505 50 0 GCAAMN COCC[N@H+]1C[C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@]2(C(=O)[O-])C1 ZINC000096153626 208278639 /nfs/dbraw/zinc/27/86/39/208278639.db2.gz BQKALPZPEKUFFE-CRAIPNDOSA-N 0 1 382.482 0.555 50 0 GCAAMN CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(O)c2)CN1C1CCOCC1 ZINC000096166625 208283541 /nfs/dbraw/zinc/28/35/41/208283541.db2.gz MVLQSGQVWHFSHK-YJBOKZPZSA-N 0 1 375.469 0.809 50 0 GCAAMN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C(=O)[O-])C1 ZINC000096180928 208284775 /nfs/dbraw/zinc/28/47/75/208284775.db2.gz YIQMHAKIHQERED-QFYYESIMSA-N 0 1 381.410 0.066 50 0 GCAAMN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3cnc[nH]3)C2=O)cc1 ZINC000096222436 208288386 /nfs/dbraw/zinc/28/83/86/208288386.db2.gz UDCXFIPWJOFKAV-INIZCTEOSA-N 0 1 385.424 0.978 50 0 biogenic GCAAMN Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)N3CCN[C@H](C)C3)c2)[nH]1 ZINC000097532574 208357999 /nfs/dbraw/zinc/35/79/99/208357999.db2.gz BDNNJQGLMRUOKK-LLVKDONJSA-N 0 1 378.458 0.026 50 0 GCAAMN COc1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC3)cn1 ZINC000253536640 209044694 /nfs/dbraw/zinc/04/46/94/209044694.db2.gz JASMBFABRFMEHF-UHFFFAOYSA-N 0 1 382.380 0.809 50 0 GCAAMN CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000299800114 209090698 /nfs/dbraw/zinc/09/06/98/209090698.db2.gz VATRJAHOQXVNHY-STQMWFEESA-N 0 1 376.866 0.828 50 0 GCAAMN CCN1CCN(CC(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)CC1 ZINC000299792993 209090240 /nfs/dbraw/zinc/09/02/40/209090240.db2.gz IFZNDHJXEHOAEZ-UHFFFAOYSA-N 0 1 388.516 0.279 50 0 GCAAMN O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1ccsc1)N1CCCC1 ZINC000008864230 221061617 /nfs/dbraw/zinc/06/16/17/221061617.db2.gz MWIONQVOVVZCHZ-MRXNPFEDSA-N 0 1 380.514 0.450 50 0 GCAAMN COc1cc([C@H]2CC(=C3C(=O)NC(=O)N(C)C3=O)NN2)cc(OC)c1OC ZINC000008971045 221066953 /nfs/dbraw/zinc/06/69/53/221066953.db2.gz FHOSRNJYSKYHSV-BLKPKJALSA-N 0 1 376.369 0.418 50 0 GCAAMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCN(c2ccccc2)C(=O)C1 ZINC000012761637 221227707 /nfs/dbraw/zinc/22/77/07/221227707.db2.gz VAWKKKYWGORZRI-GOSISDBHSA-N 0 1 384.480 0.995 50 0 GCAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2ccccc2NC1=O ZINC000020548514 221497636 /nfs/dbraw/zinc/49/76/36/221497636.db2.gz XWNOOIIVMBMZTL-ZCQATVAHSA-N 0 1 384.436 0.471 50 0 GCAAMN O=S(=O)(c1ccccc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000096098697 136183702 /nfs/dbraw/zinc/18/37/02/136183702.db2.gz KQEBDYARQSDMCU-UHFFFAOYSA-N 0 1 389.481 0.824 50 0 GCAAMN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN[C@H](C)C3)CC2)c1 ZINC000237582330 136192336 /nfs/dbraw/zinc/19/23/36/136192336.db2.gz OCKDAPJFQWEXGB-MRXNPFEDSA-N 0 1 380.514 0.267 50 0 GCAAMN CCCCN1CCN(C(=O)Cn2c3cccnc3n3c(C)nnc3c2=O)CC1 ZINC000065173006 222105550 /nfs/dbraw/zinc/10/55/50/222105550.db2.gz JVJGDFCQKWPXCG-UHFFFAOYSA-N 0 1 383.456 0.692 50 0 GCAAMN Cc1nnc2c(=O)n(CC(=O)N3CCN(CC(C)C)CC3)c3cccnc3n12 ZINC000065173007 222105596 /nfs/dbraw/zinc/10/55/96/222105596.db2.gz CBFJEKPICAJWCU-UHFFFAOYSA-N 0 1 383.456 0.548 50 0 GCAAMN O=C(NCc1ccccn1)c1cc2n(n1)CCN(c1ncnc3[nH]cnc31)C2 ZINC000067966167 222168657 /nfs/dbraw/zinc/16/86/57/222168657.db2.gz MSDRPTHTTJCIMZ-UHFFFAOYSA-N 0 1 375.396 0.895 50 0 GCAAMN COc1ccc(F)c(CN2CCC[C@](O)(CNCC(=O)NC(C)C)C2=O)c1 ZINC000067947141 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