smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CC=C[C@@H]1C=O ZINC000111486708 1067553990 /nfs/dbraw/zinc/55/39/90/1067553990.db2.gz YEECVZDETXGRLF-BZUAXINKSA-N 0 1 462.507 -2.875 20 0 JAADMN NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC=C[C@@H]1C=O ZINC000111486714 1067016258 /nfs/dbraw/zinc/01/62/58/1067016258.db2.gz YEECVZDETXGRLF-OAGGEKHMSA-N 0 1 462.507 -2.875 20 0 JAADMN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCC(=O)N1CCNCC1 ZINC000514327220 1067035578 /nfs/dbraw/zinc/03/55/78/1067035578.db2.gz UWAYRUNQRLTIPK-UHFFFAOYSA-N 0 1 451.549 -1.152 20 0 JAADMN COCCCNC(=O)C1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000514330510 1067036193 /nfs/dbraw/zinc/03/61/93/1067036193.db2.gz MKTZZCFTKRUBDX-UHFFFAOYSA-N 0 1 453.584 -1.146 20 0 JAADMN O=C(NCCCCN1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000514333022 1067036427 /nfs/dbraw/zinc/03/64/27/1067036427.db2.gz BLMQQOPHKWWILZ-UHFFFAOYSA-N 0 1 467.548 -1.026 20 0 JAADMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C(=O)N(C)CC(N)=O)CC1 ZINC000514362412 1067038115 /nfs/dbraw/zinc/03/81/15/1067038115.db2.gz UTFLUQDTCYCRIK-UHFFFAOYSA-N 0 1 496.590 -1.268 20 0 JAADMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C(=O)NCC(=O)NC)CC1 ZINC000514399693 1067038652 /nfs/dbraw/zinc/03/86/52/1067038652.db2.gz CJHURYLDILRRSM-UHFFFAOYSA-N 0 1 496.590 -1.350 20 0 JAADMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000515770945 1067042364 /nfs/dbraw/zinc/04/23/64/1067042364.db2.gz AXEDMDLSXFCXFH-UHFFFAOYSA-N 0 1 463.516 -1.021 20 0 JAADMN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)c2)CC1 ZINC000518580748 1067048974 /nfs/dbraw/zinc/04/89/74/1067048974.db2.gz ZJWJPQUPLCANJT-UHFFFAOYSA-N 0 1 486.573 -1.098 20 0 JAADMN COCCn1cnc2c1c(=O)n(CC(=O)NCC(=O)N1CCNCC1)c(=O)n2Cc1ccccc1 ZINC000549515869 1067028024 /nfs/dbraw/zinc/02/80/24/1067028024.db2.gz DIZSRCFNQKYSQS-UHFFFAOYSA-N 0 1 483.529 -1.398 20 0 JAADMN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)CNC(=O)CN ZINC000561950461 1067250889 /nfs/dbraw/zinc/25/08/89/1067250889.db2.gz IYZOVXIDXOWHSH-UHFFFAOYSA-N 0 1 461.928 -1.167 20 0 JAADMN Cn1cnc2c1c(=O)n(CCCS(=O)(=O)C1N=NC(=O)N1C[C@H]1CCCO1)c(=O)n2C ZINC000582956114 1067020743 /nfs/dbraw/zinc/02/07/43/1067020743.db2.gz OYCGNKGULIWBCC-LLVKDONJSA-N 0 1 453.481 -1.226 20 0 JAADMN Cn1cnc2c1c(=O)n(CCCS(=O)(=O)C1N=NC(=O)N1C[C@@H]1CCCO1)c(=O)n2C ZINC000582956115 1067020524 /nfs/dbraw/zinc/02/05/24/1067020524.db2.gz OYCGNKGULIWBCC-NSHDSACASA-N 0 1 453.481 -1.226 20 0 JAADMN O=C(CN1CCN(C(=O)CN2CCC(C(=O)N3CCOCC3)CC2)CC1)N1CCOCC1 ZINC000588838587 1067063452 /nfs/dbraw/zinc/06/34/52/1067063452.db2.gz MJFSOVMACGXQRS-UHFFFAOYSA-N 0 1 451.568 -1.440 20 0 JAADMN Cn1c2ncn(CC(=O)NCCCCN3CCN(c4ncccn4)CC3)c2c(=O)n(C)c1=O ZINC000591214166 1067065845 /nfs/dbraw/zinc/06/58/45/1067065845.db2.gz JDMZIXYLWJVRIA-UHFFFAOYSA-N 0 1 455.523 -1.058 20 0 JAADMN Cn1cnc2c1c(=O)n(CC(=O)NCCCCN1CCN(c3ncccn3)CC1)c(=O)n2C ZINC000591215749 1067065676 /nfs/dbraw/zinc/06/56/76/1067065676.db2.gz XWVQXGPMZPXJEN-UHFFFAOYSA-N 0 1 455.523 -1.058 20 0 JAADMN O=C(Cn1cnnn1)N1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000591596070 1067065755 /nfs/dbraw/zinc/06/57/55/1067065755.db2.gz GTHCPSLOADSPEJ-UHFFFAOYSA-N 0 1 457.543 -1.081 20 0 JAADMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2)[nH]1 ZINC000608961738 1067070188 /nfs/dbraw/zinc/07/01/88/1067070188.db2.gz CQPCAEAVGLTFKL-UHFFFAOYSA-N 0 1 454.447 -1.148 20 0 JAADMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000612081389 1067021938 /nfs/dbraw/zinc/02/19/38/1067021938.db2.gz FDKBJKHRSURXAG-UHFFFAOYSA-N 0 1 455.471 -1.213 20 0 JAADMN COCCN(C(=O)CN1CCN(C(=O)CN(C)C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000613415309 1067023698 /nfs/dbraw/zinc/02/36/98/1067023698.db2.gz DSECXXVZOOSLBU-UHFFFAOYSA-N 0 1 467.571 -1.128 20 0 JAADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000613417142 1067023858 /nfs/dbraw/zinc/02/38/58/1067023858.db2.gz LUQGLTUVXRTFOK-IBGZPJMESA-N 0 1 460.645 -1.431 20 0 JAADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000613417143 1067023418 /nfs/dbraw/zinc/02/34/18/1067023418.db2.gz LUQGLTUVXRTFOK-LJQANCHMSA-N 0 1 460.645 -1.431 20 0 JAADMN CN1CCN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)CC1 ZINC000613622838 1067024723 /nfs/dbraw/zinc/02/47/23/1067024723.db2.gz XFEZMOBMNYEPGG-UHFFFAOYSA-N 0 1 476.559 -1.106 20 0 JAADMN CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000616313915 1067089598 /nfs/dbraw/zinc/08/95/98/1067089598.db2.gz WYAKDJDLOAUSSB-UHFFFAOYSA-N 0 1 480.591 -1.112 20 0 JAADMN O=C(CN1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)CC1)N1CCOCC1 ZINC000659459689 1067024063 /nfs/dbraw/zinc/02/40/63/1067024063.db2.gz ZPRXFTMIJCGRBO-IBGZPJMESA-N 0 1 451.568 -1.440 20 0 JAADMN O=C(CN1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)N1CCOCC1 ZINC000659459690 1067024131 /nfs/dbraw/zinc/02/41/31/1067024131.db2.gz ZPRXFTMIJCGRBO-LJQANCHMSA-N 0 1 451.568 -1.440 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000684814493 1067019952 /nfs/dbraw/zinc/01/99/52/1067019952.db2.gz KXWYKXMADYQMMF-UHFFFAOYSA-N 0 1 460.459 -1.227 20 0 JAADMN CN1CCN(S(=O)(=O)c2ccc(=NNC(=S)NCCNS(C)(=O)=O)[nH]c2)CC1 ZINC000727072143 1067100825 /nfs/dbraw/zinc/10/08/25/1067100825.db2.gz JYUMFVQHSHAZSN-UHFFFAOYSA-N 0 1 451.600 -1.642 20 0 JAADMN CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000747928105 1067115116 /nfs/dbraw/zinc/11/51/16/1067115116.db2.gz OCCCJNNFUMOMLW-AWEZNQCLSA-N 0 1 450.496 -1.550 20 0 JAADMN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000747928109 1067114800 /nfs/dbraw/zinc/11/48/00/1067114800.db2.gz OCCCJNNFUMOMLW-CQSZACIVSA-N 0 1 450.496 -1.550 20 0 JAADMN CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000749556753 1067262126 /nfs/dbraw/zinc/26/21/26/1067262126.db2.gz AYWILTFOTIUCCY-AWEZNQCLSA-N 0 1 450.496 -1.550 20 0 JAADMN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000749556757 1067261905 /nfs/dbraw/zinc/26/19/05/1067261905.db2.gz AYWILTFOTIUCCY-CQSZACIVSA-N 0 1 450.496 -1.550 20 0 JAADMN CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000760962276 1067066545 /nfs/dbraw/zinc/06/65/45/1067066545.db2.gz WFUGLAGSFPGKJH-HNNXBMFYSA-N 0 1 464.523 -1.160 20 0 JAADMN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000760962280 1067066186 /nfs/dbraw/zinc/06/61/86/1067066186.db2.gz WFUGLAGSFPGKJH-OAHLLOKOSA-N 0 1 464.523 -1.160 20 0 JAADMN CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000918315846 1067079841 /nfs/dbraw/zinc/07/98/41/1067079841.db2.gz PRZHQIBTFPDWFB-UHFFFAOYSA-N 0 1 472.546 -1.094 20 0 JAADMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817096 1067085792 /nfs/dbraw/zinc/08/57/92/1067085792.db2.gz OOYGYKWENHSWEO-AWEZNQCLSA-N 0 1 496.567 -1.081 20 0 JAADMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817097 1067086036 /nfs/dbraw/zinc/08/60/36/1067086036.db2.gz OOYGYKWENHSWEO-CQSZACIVSA-N 0 1 496.567 -1.081 20 0 JAADMN CN(CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ncnc2[nH]cnc21 ZINC000919985788 1067087667 /nfs/dbraw/zinc/08/76/67/1067087667.db2.gz DBZROCGDPJMWCH-GFCCVEGCSA-N 0 1 457.538 -1.550 20 0 JAADMN CN(CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ncnc2[nH]cnc21 ZINC000919985789 1067087402 /nfs/dbraw/zinc/08/74/02/1067087402.db2.gz DBZROCGDPJMWCH-LBPRGKRZSA-N 0 1 457.538 -1.550 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)Cn1ccccc1=O)c(N)nc2=O ZINC001141923572 1067267879 /nfs/dbraw/zinc/26/78/79/1067267879.db2.gz FUZGFIXOIRWYMN-BBRMVZONSA-N 0 1 489.489 -1.461 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)Cn1ccccc1=O)c(N)nc2=O ZINC001141923579 1067267741 /nfs/dbraw/zinc/26/77/41/1067267741.db2.gz FUZGFIXOIRWYMN-XJKSGUPXSA-N 0 1 489.489 -1.461 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)Cn1cccnc1=O)c(N)nc2=O ZINC001141958261 1067268472 /nfs/dbraw/zinc/26/84/72/1067268472.db2.gz YMDXARAWTOKNTG-GXTWGEPZSA-N 0 1 490.477 -2.066 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)Cn1cccnc1=O)c(N)nc2=O ZINC001141958262 1067268589 /nfs/dbraw/zinc/26/85/89/1067268589.db2.gz YMDXARAWTOKNTG-JSGCOSHPSA-N 0 1 490.477 -2.066 20 0 JAADMN Cn1c2ncn(CC(=O)N(Cc3noc4c3CNCC4)S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC001142385150 1067271240 /nfs/dbraw/zinc/27/12/40/1067271240.db2.gz XFKGJXKQZPLTNS-UHFFFAOYSA-N 0 1 451.465 -1.944 20 0 JAADMN CN1CCN(Cc2cn3c(n2)CN(C(=O)Cn2cnc4c2c(=O)n(C)c(=O)n4C)CC3)CC1 ZINC001142385476 1067271902 /nfs/dbraw/zinc/27/19/02/1067271902.db2.gz MAGFHRWQBRCBMC-UHFFFAOYSA-N 0 1 455.523 -1.580 20 0 JAADMN Cn1c2ncn(CC(=O)NCc3cc(N4CCS(=O)(=O)CC4)ccn3)c2c(=O)n(C)c1=O ZINC001142392310 1067272117 /nfs/dbraw/zinc/27/21/17/1067272117.db2.gz KNVIVOOZEIYAAN-UHFFFAOYSA-N 0 1 461.504 -1.620 20 0 JAADMN Cn1c2ncn(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(N)=O)c2c(=O)n(C)c1=O ZINC001142392366 1067273096 /nfs/dbraw/zinc/27/30/96/1067273096.db2.gz NUFXHPMNVJRJRF-STQMWFEESA-N 0 1 471.478 -2.639 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1=COCC1)c(N)nc2=O ZINC001142560640 1067273017 /nfs/dbraw/zinc/27/30/17/1067273017.db2.gz YLFSUVWOBLEIQY-QWHCGFSZSA-N 0 1 450.452 -1.019 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1=COCC1)c(N)nc2=O ZINC001142560641 1067272853 /nfs/dbraw/zinc/27/28/53/1067272853.db2.gz YLFSUVWOBLEIQY-STQMWFEESA-N 0 1 450.452 -1.019 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CN(C)C1)c(N)nc2=O ZINC001142600372 1067059272 /nfs/dbraw/zinc/05/92/72/1067059272.db2.gz SKJKMJQEMIHWNR-QWHCGFSZSA-N 0 1 451.484 -1.762 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CN(C)C1)c(N)nc2=O ZINC001142600373 1067059494 /nfs/dbraw/zinc/05/94/94/1067059494.db2.gz SKJKMJQEMIHWNR-STQMWFEESA-N 0 1 451.484 -1.762 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC1(O)CCC1)c(N)nc2=O ZINC001142622345 1067059402 /nfs/dbraw/zinc/05/94/02/1067059402.db2.gz SXDVAMOUSAZDPG-GXTWGEPZSA-N 0 1 466.495 -1.018 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC1(O)CCC1)c(N)nc2=O ZINC001142622346 1067059235 /nfs/dbraw/zinc/05/92/35/1067059235.db2.gz SXDVAMOUSAZDPG-JSGCOSHPSA-N 0 1 466.495 -1.018 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[C@@H]3COC[C@@H]31)c(N)nc2=O ZINC001142644627 1067059932 /nfs/dbraw/zinc/05/99/32/1067059932.db2.gz HHHOLCFKFKRCCG-ODXJTPSBSA-N 0 1 464.479 -1.431 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[C@@H]3COC[C@@H]31)c(N)nc2=O ZINC001142644628 1067060058 /nfs/dbraw/zinc/06/00/58/1067060058.db2.gz HHHOLCFKFKRCCG-QNSTZXKLSA-N 0 1 464.479 -1.431 20 0 JAADMN CC(=O)NCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001142806431 1067273833 /nfs/dbraw/zinc/27/38/33/1067273833.db2.gz NFHKEZBMKPIJSV-AAEUAGOBSA-N 0 1 453.456 -2.187 20 0 JAADMN CC(=O)NCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001142806432 1067273736 /nfs/dbraw/zinc/27/37/36/1067273736.db2.gz NFHKEZBMKPIJSV-WCQYABFASA-N 0 1 453.456 -2.187 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(N)=O)c(N)nc2=O ZINC001142958798 1067095186 /nfs/dbraw/zinc/09/51/86/1067095186.db2.gz ZOZRTRKLLGZPEZ-GWCFXTLKSA-N 0 1 453.456 -2.058 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(N)=O)c(N)nc2=O ZINC001142958811 1067095338 /nfs/dbraw/zinc/09/53/38/1067095338.db2.gz ZOZRTRKLLGZPEZ-GXFFZTMASA-N 0 1 453.456 -2.058 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(=O)N(C)C)c(N)nc2=O ZINC001143055838 1067097432 /nfs/dbraw/zinc/09/74/32/1067097432.db2.gz IHAQNGMKMKSFOX-SWLSCSKDSA-N 0 1 481.510 -1.455 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(=O)N(C)C)c(N)nc2=O ZINC001143055849 1067097382 /nfs/dbraw/zinc/09/73/82/1067097382.db2.gz IHAQNGMKMKSFOX-WFASDCNBSA-N 0 1 481.510 -1.455 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129032 1067274350 /nfs/dbraw/zinc/27/43/50/1067274350.db2.gz MWOYOOFPOHQQGU-DMDPSCGWSA-N 0 1 465.467 -2.045 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129035 1067274285 /nfs/dbraw/zinc/27/42/85/1067274285.db2.gz MWOYOOFPOHQQGU-GMXVVIOVSA-N 0 1 465.467 -2.045 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129044 1067274477 /nfs/dbraw/zinc/27/44/77/1067274477.db2.gz MWOYOOFPOHQQGU-GVXVVHGQSA-N 0 1 465.467 -2.045 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129050 1067274570 /nfs/dbraw/zinc/27/45/70/1067274570.db2.gz MWOYOOFPOHQQGU-LOWVWBTDSA-N 0 1 465.467 -2.045 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C(N)=O)CC1)c(N)nc2=O ZINC001143163108 1067274615 /nfs/dbraw/zinc/27/46/15/1067274615.db2.gz BFENDMBENHAFON-QWRGUYRKSA-N 0 1 465.467 -2.058 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C(N)=O)CC1)c(N)nc2=O ZINC001143163109 1067274455 /nfs/dbraw/zinc/27/44/55/1067274455.db2.gz BFENDMBENHAFON-WDEREUQCSA-N 0 1 465.467 -2.058 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CN1CCCC1=O)c(N)nc2=O ZINC001143249187 1067274985 /nfs/dbraw/zinc/27/49/85/1067274985.db2.gz NURJVBPSAAUBNW-SWLSCSKDSA-N 0 1 479.494 -1.701 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CN1CCCC1=O)c(N)nc2=O ZINC001143249188 1067275357 /nfs/dbraw/zinc/27/53/57/1067275357.db2.gz NURJVBPSAAUBNW-WFASDCNBSA-N 0 1 479.494 -1.701 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(=O)N(C)C)c(N)nc2=O ZINC001143282426 1067275317 /nfs/dbraw/zinc/27/53/17/1067275317.db2.gz OANPNRXIOJCNDR-QWRGUYRKSA-N 0 1 453.456 -2.235 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(=O)N(C)C)c(N)nc2=O ZINC001143282427 1067274950 /nfs/dbraw/zinc/27/49/50/1067274950.db2.gz OANPNRXIOJCNDR-WDEREUQCSA-N 0 1 453.456 -2.235 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CNC(=O)C1)c(N)nc2=O ZINC001143298981 1067275018 /nfs/dbraw/zinc/27/50/18/1067275018.db2.gz DXXLWSRUCBFQIQ-GMXVVIOVSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CNC(=O)C1)c(N)nc2=O ZINC001143298984 1067276017 /nfs/dbraw/zinc/27/60/17/1067276017.db2.gz DXXLWSRUCBFQIQ-GVXVVHGQSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CNC(=O)C1)c(N)nc2=O ZINC001143298985 1067275841 /nfs/dbraw/zinc/27/58/41/1067275841.db2.gz DXXLWSRUCBFQIQ-MDZLAQPJSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CNC(=O)C1)c(N)nc2=O ZINC001143298987 1067275934 /nfs/dbraw/zinc/27/59/34/1067275934.db2.gz DXXLWSRUCBFQIQ-NTZNESFSSA-N 0 1 465.467 -2.187 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001143327033 1067275798 /nfs/dbraw/zinc/27/57/98/1067275798.db2.gz PVLFIYKVXMEJIA-KBPBESRZSA-N 0 1 453.489 -1.143 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001143327034 1067275826 /nfs/dbraw/zinc/27/58/26/1067275826.db2.gz PVLFIYKVXMEJIA-KGLIPLIRSA-N 0 1 453.489 -1.143 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001143327035 1067275908 /nfs/dbraw/zinc/27/59/08/1067275908.db2.gz PVLFIYKVXMEJIA-UONOGXRCSA-N 0 1 453.489 -1.143 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001143327036 1067275967 /nfs/dbraw/zinc/27/59/67/1067275967.db2.gz PVLFIYKVXMEJIA-ZIAGYGMSSA-N 0 1 453.489 -1.143 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C)COC1)c(N)nc2=O ZINC001143391320 1067018895 /nfs/dbraw/zinc/01/88/95/1067018895.db2.gz QWRCKHPGPSLIMF-NWDGAFQWSA-N 0 1 452.468 -1.287 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C)COC1)c(N)nc2=O ZINC001143391321 1067019014 /nfs/dbraw/zinc/01/90/14/1067019014.db2.gz QWRCKHPGPSLIMF-RYUDHWBXSA-N 0 1 452.468 -1.287 20 0 JAADMN CNC(=O)/C=C/C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001144089466 1067120104 /nfs/dbraw/zinc/12/01/04/1067120104.db2.gz HPSPAUWZDFEJRR-DAOXELNNSA-N 0 1 465.467 -2.021 20 0 JAADMN CNC(=O)/C=C/C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001144089467 1067120432 /nfs/dbraw/zinc/12/04/32/1067120432.db2.gz HPSPAUWZDFEJRR-NBOIIBAUSA-N 0 1 465.467 -2.021 20 0 JAADMN COC(=O)/C=C/C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001144104565 1067121559 /nfs/dbraw/zinc/12/15/59/1067121559.db2.gz YJWZUPLJBDSVKV-DAOXELNNSA-N 0 1 466.451 -1.594 20 0 JAADMN COC(=O)/C=C/C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001144104571 1067121647 /nfs/dbraw/zinc/12/16/47/1067121647.db2.gz YJWZUPLJBDSVKV-NBOIIBAUSA-N 0 1 466.451 -1.594 20 0 JAADMN CC(=O)O[C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001144162068 1067121321 /nfs/dbraw/zinc/12/13/21/1067121321.db2.gz RLSZISMYVCTSQS-DRZSPHRISA-N 0 1 468.467 -1.372 20 0 JAADMN CC(=O)O[C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001144162069 1067121474 /nfs/dbraw/zinc/12/14/74/1067121474.db2.gz RLSZISMYVCTSQS-WCFLWFBJSA-N 0 1 468.467 -1.372 20 0 JAADMN CC(=O)N1CCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001144319786 1067121493 /nfs/dbraw/zinc/12/14/93/1067121493.db2.gz HOVJYOYRCCEQOE-KKUMJFAQSA-N 0 1 493.521 -1.312 20 0 JAADMN CC(=O)N1CCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001144319787 1067121299 /nfs/dbraw/zinc/12/12/99/1067121299.db2.gz HOVJYOYRCCEQOE-SOUVJXGZSA-N 0 1 493.521 -1.312 20 0 JAADMN CC(=O)N[C@H](C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N)C(C)C ZINC001144368351 1067122419 /nfs/dbraw/zinc/12/24/19/1067122419.db2.gz JBRLYEFVQAEXJK-KKUMJFAQSA-N 0 1 495.537 -1.162 20 0 JAADMN CC(=O)N[C@@H](C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N)C(C)C ZINC001144368352 1067122487 /nfs/dbraw/zinc/12/24/87/1067122487.db2.gz JBRLYEFVQAEXJK-RRFJBIMHSA-N 0 1 495.537 -1.162 20 0 JAADMN CC(=O)N[C@@H](C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N)C(C)C ZINC001144368353 1067122300 /nfs/dbraw/zinc/12/23/00/1067122300.db2.gz JBRLYEFVQAEXJK-SOUVJXGZSA-N 0 1 495.537 -1.162 20 0 JAADMN CC(=O)N[C@H](C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N)C(C)C ZINC001144368354 1067122326 /nfs/dbraw/zinc/12/23/26/1067122326.db2.gz JBRLYEFVQAEXJK-ZNMIVQPWSA-N 0 1 495.537 -1.162 20 0 JAADMN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144893072 1067133744 /nfs/dbraw/zinc/13/37/44/1067133744.db2.gz BVKRLFJMEPESCS-CADBVGFASA-N 0 1 451.520 -1.445 20 0 JAADMN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144893073 1067133973 /nfs/dbraw/zinc/13/39/73/1067133973.db2.gz BVKRLFJMEPESCS-INDMIFKZSA-N 0 1 451.520 -1.445 20 0 JAADMN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144893074 1067133928 /nfs/dbraw/zinc/13/39/28/1067133928.db2.gz BVKRLFJMEPESCS-WJFTUGDTSA-N 0 1 451.520 -1.445 20 0 JAADMN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144893075 1067133814 /nfs/dbraw/zinc/13/38/14/1067133814.db2.gz BVKRLFJMEPESCS-ZSYWTGECSA-N 0 1 451.520 -1.445 20 0 JAADMN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146246822 1067137729 /nfs/dbraw/zinc/13/77/29/1067137729.db2.gz AHVYOGXWBNYBHZ-KBPBESRZSA-N 0 1 465.511 -1.446 20 0 JAADMN CC1(C)[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)N2C(=O)C[C@H]2S1(=O)=O ZINC001146265014 1067138811 /nfs/dbraw/zinc/13/88/11/1067138811.db2.gz JHHNHYDGIMTQTH-VIRABCJISA-N 0 1 466.520 -1.953 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cc[nH]c(=O)c1)c(N)nc2=O ZINC001146908607 1067140893 /nfs/dbraw/zinc/14/08/93/1067140893.db2.gz NTOYWXOVPAPSMA-GXTWGEPZSA-N 0 1 475.462 -1.174 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cc[nH]c(=O)c1)c(N)nc2=O ZINC001146908612 1067140705 /nfs/dbraw/zinc/14/07/05/1067140705.db2.gz NTOYWXOVPAPSMA-JSGCOSHPSA-N 0 1 475.462 -1.174 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccc(=O)oc1)c(N)nc2=O ZINC001147594737 1067142776 /nfs/dbraw/zinc/14/27/76/1067142776.db2.gz DDVASVPYIDNICC-GXTWGEPZSA-N 0 1 476.446 -1.322 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccc(=O)oc1)c(N)nc2=O ZINC001147594748 1067142880 /nfs/dbraw/zinc/14/28/80/1067142880.db2.gz DDVASVPYIDNICC-JSGCOSHPSA-N 0 1 476.446 -1.322 20 0 JAADMN Cn1nnc2c(C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)ncn2c1=O ZINC001152754405 1067280232 /nfs/dbraw/zinc/28/02/32/1067280232.db2.gz QJKJEZYFZTXEFC-UHFFFAOYSA-N 0 1 462.857 -1.977 20 0 JAADMN C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)Cc2cn(COCc3ccccc3)cn2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423095 1067284004 /nfs/dbraw/zinc/28/40/04/1067284004.db2.gz JTWAHKPFOBXMCX-BTMHVEKBSA-N 0 1 464.519 -1.113 20 0 JAADMN C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423134 1067284063 /nfs/dbraw/zinc/28/40/63/1067284063.db2.gz KRDOKHIDSLXOJN-KLSCFVBYSA-N 0 1 451.520 -1.492 20 0 JAADMN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1 ZINC001157424488 1067283913 /nfs/dbraw/zinc/28/39/13/1067283913.db2.gz VLZIUAUJOYMWOK-QYIOPIAMSA-N 0 1 498.558 -1.741 20 0 JAADMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001157528524 1067284506 /nfs/dbraw/zinc/28/45/06/1067284506.db2.gz VNEZKKNJHONGHX-INIZCTEOSA-N 0 1 460.535 -1.070 20 0 JAADMN Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001157528525 1067284875 /nfs/dbraw/zinc/28/48/75/1067284875.db2.gz VNEZKKNJHONGHX-MRXNPFEDSA-N 0 1 460.535 -1.070 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001157674568 1067284909 /nfs/dbraw/zinc/28/49/09/1067284909.db2.gz YZWHBWATZPDGDU-KRWDZBQOSA-N 0 1 474.518 -1.522 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352461 1067286195 /nfs/dbraw/zinc/28/61/95/1067286195.db2.gz QJGIFVWEQAJDKT-ORQYLMBXSA-N 0 1 489.577 -1.795 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001158360886 1067286162 /nfs/dbraw/zinc/28/61/62/1067286162.db2.gz CUXLONDVFZSJLR-UHFFFAOYSA-N 0 1 499.576 -1.657 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001158626062 1067286910 /nfs/dbraw/zinc/28/69/10/1067286910.db2.gz CWHHHHVWVHFXJV-AEFRCRGFSA-N 0 1 459.547 -1.256 20 0 JAADMN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]3O2)n1 ZINC001158630100 1067287145 /nfs/dbraw/zinc/28/71/45/1067287145.db2.gz YDCCINGJSQPBGY-BHYGNILZSA-N 0 1 475.550 -1.414 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001158672025 1067287789 /nfs/dbraw/zinc/28/77/89/1067287789.db2.gz MQGOQXZVDLIFSL-NWANDNLSSA-N 0 1 464.548 -1.384 20 0 JAADMN N[C@H]1CCCCN(CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1=O ZINC001158680279 1067287811 /nfs/dbraw/zinc/28/78/11/1067287811.db2.gz BLECOGHYMTZMCW-YESZJQIVSA-N 0 1 478.575 -1.124 20 0 JAADMN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680740 1067287831 /nfs/dbraw/zinc/28/78/31/1067287831.db2.gz FHOSQNKLGMOFNN-QSPRXWTASA-N 0 1 478.575 -1.126 20 0 JAADMN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681091 1067287601 /nfs/dbraw/zinc/28/76/01/1067287601.db2.gz JMZOYIUKZHHKPV-ARFHVFGLSA-N 0 1 497.599 -1.687 20 0 JAADMN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681092 1067287538 /nfs/dbraw/zinc/28/75/38/1067287538.db2.gz JMZOYIUKZHHKPV-HRCADAONSA-N 0 1 497.599 -1.687 20 0 JAADMN C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681540 1067288524 /nfs/dbraw/zinc/28/85/24/1067288524.db2.gz PDMVUKXRGJBQHU-UHYOHLLVSA-N 0 1 457.578 -1.368 20 0 JAADMN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681541 1067288287 /nfs/dbraw/zinc/28/82/87/1067288287.db2.gz PDMVUKXRGJBQHU-XPDYAYTHSA-N 0 1 457.578 -1.368 20 0 JAADMN Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682138 1067288559 /nfs/dbraw/zinc/28/85/59/1067288559.db2.gz SFKFVVJRHYHIRF-YESZJQIVSA-N 0 1 461.548 -1.161 20 0 JAADMN NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682793 1067288203 /nfs/dbraw/zinc/28/82/03/1067288203.db2.gz TZNXOQANYMIHGD-HRCADAONSA-N 0 1 464.548 -1.514 20 0 JAADMN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682939 1067288316 /nfs/dbraw/zinc/28/83/16/1067288316.db2.gz VDFNRZKFDKQNJP-NZBPQXDJSA-N 0 1 452.537 -1.612 20 0 JAADMN NC(=O)NCCC[C@H](N)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683753 1067288982 /nfs/dbraw/zinc/28/89/82/1067288982.db2.gz YIRSCPLIXFZCRW-SOUVJXGZSA-N 0 1 467.552 -1.688 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158697669 1067289296 /nfs/dbraw/zinc/28/92/96/1067289296.db2.gz FZPHNDHZVXUXTN-MNVSYLFESA-N 0 1 452.512 -3.078 20 0 JAADMN CC(C)n1nc(CN(C)C)c2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158698050 1067289119 /nfs/dbraw/zinc/28/91/19/1067289119.db2.gz KONPOCXQPYVQSW-UHFFFAOYSA-N 0 1 450.544 -2.282 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715341 1067289157 /nfs/dbraw/zinc/28/91/57/1067289157.db2.gz ILDHCMVRPFTGAO-ZSDSOXJFSA-N 0 1 466.539 -2.784 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158737652 1067290373 /nfs/dbraw/zinc/29/03/73/1067290373.db2.gz LHIADGSLRIIVTB-UHFFFAOYSA-N 0 1 473.494 -2.708 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747442 1067290308 /nfs/dbraw/zinc/29/03/08/1067290308.db2.gz BEOIWDZXSFCVQW-PNKHAZJDSA-N 0 1 465.551 -1.284 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001158747627 1067289797 /nfs/dbraw/zinc/28/97/97/1067289797.db2.gz DYWZFFOGSWRUBY-BBRMVZONSA-N 0 1 464.523 -1.382 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747844 1067290225 /nfs/dbraw/zinc/29/02/25/1067290225.db2.gz JPEXIIOGYOZYAK-KFWWJZLASA-N 0 1 468.511 -3.431 20 0 JAADMN CN(C)C(=O)COCc1noc2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158747868 1067290349 /nfs/dbraw/zinc/29/03/49/1067290349.db2.gz SLEMVFQSCMNOTG-UHFFFAOYSA-N 0 1 467.483 -3.529 20 0 JAADMN CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001158748196 1067290097 /nfs/dbraw/zinc/29/00/97/1067290097.db2.gz RHSPZENHRZNCRT-ROUUACIJSA-N 0 1 489.529 -1.083 20 0 JAADMN CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158789946 1067289880 /nfs/dbraw/zinc/28/98/80/1067289880.db2.gz GHHXHCORYZGXNL-UHFFFAOYSA-N 0 1 481.579 -2.140 20 0 JAADMN CCOC[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)Cc2nn(CC3CC3)cc21 ZINC001158800605 1067290115 /nfs/dbraw/zinc/29/01/15/1067290115.db2.gz WPQICNNHTVULBV-HNNXBMFYSA-N 0 1 463.539 -1.937 20 0 JAADMN CCOC[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)Cc2nn(CC3CC3)cc21 ZINC001158800606 1067289923 /nfs/dbraw/zinc/28/99/23/1067289923.db2.gz WPQICNNHTVULBV-OAHLLOKOSA-N 0 1 463.539 -1.937 20 0 JAADMN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158811062 1067290327 /nfs/dbraw/zinc/29/03/27/1067290327.db2.gz OOSQSUYEBFKJAM-CYBMUJFWSA-N 0 1 456.500 -3.794 20 0 JAADMN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158811063 1067290007 /nfs/dbraw/zinc/29/00/07/1067290007.db2.gz OOSQSUYEBFKJAM-ZDUSSCGKSA-N 0 1 456.500 -3.794 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158811777 1067290206 /nfs/dbraw/zinc/29/02/06/1067290206.db2.gz ZXVZBEFCBJMSJY-RRFJBIMHSA-N 0 1 452.512 -3.078 20 0 JAADMN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001158814076 1067290183 /nfs/dbraw/zinc/29/01/83/1067290183.db2.gz KQIWAAZHZARUQJ-FHWLQOOXSA-N 0 1 478.546 -1.348 20 0 JAADMN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001158814077 1067289839 /nfs/dbraw/zinc/28/98/39/1067289839.db2.gz KQIWAAZHZARUQJ-QYZOEREBSA-N 0 1 478.546 -1.348 20 0 JAADMN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)CC2 ZINC001158815380 1067290078 /nfs/dbraw/zinc/29/00/78/1067290078.db2.gz YVUHVELFDWPIGA-JYJNAYRXSA-N 0 1 453.540 -1.647 20 0 JAADMN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)CC2 ZINC001158815381 1067291145 /nfs/dbraw/zinc/29/11/45/1067291145.db2.gz YVUHVELFDWPIGA-XHSDSOJGSA-N 0 1 453.540 -1.647 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821661 1067291189 /nfs/dbraw/zinc/29/11/89/1067291189.db2.gz OTEIZTDLTHTDNU-UHFFFAOYSA-N 0 1 451.488 -4.240 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158834748 1067290837 /nfs/dbraw/zinc/29/08/37/1067290837.db2.gz VMTQGVJHULDBJA-ROUUACIJSA-N 0 1 473.534 -1.795 20 0 JAADMN Cc1nc(CN2C(=O)CCC23CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC3)cs1 ZINC001158840763 1067291029 /nfs/dbraw/zinc/29/10/29/1067291029.db2.gz BQINUEAXPGKEAU-UHFFFAOYSA-N 0 1 493.590 -1.758 20 0 JAADMN Cn1ncc2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]2COc1cccnc1 ZINC001158842610 1067290728 /nfs/dbraw/zinc/29/07/28/1067290728.db2.gz NBSJZWNUSFCQFL-AWEZNQCLSA-N 0 1 472.506 -2.373 20 0 JAADMN Cn1ncc2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]2COc1cccnc1 ZINC001158842614 1067291049 /nfs/dbraw/zinc/29/10/49/1067291049.db2.gz NBSJZWNUSFCQFL-CQSZACIVSA-N 0 1 472.506 -2.373 20 0 JAADMN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158885761 1067290969 /nfs/dbraw/zinc/29/09/69/1067290969.db2.gz ZMOCBDYVOWOKTD-AWEZNQCLSA-N 0 1 492.537 -3.160 20 0 JAADMN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158885762 1067290854 /nfs/dbraw/zinc/29/08/54/1067290854.db2.gz ZMOCBDYVOWOKTD-CQSZACIVSA-N 0 1 492.537 -3.160 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001158890431 1067291076 /nfs/dbraw/zinc/29/10/76/1067291076.db2.gz DKLWQLOACUXPAW-BQFCYCMXSA-N 0 1 489.577 -1.013 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001158890433 1067290944 /nfs/dbraw/zinc/29/09/44/1067290944.db2.gz DKLWQLOACUXPAW-JZXOWHBKSA-N 0 1 489.577 -1.013 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001158904239 1067291122 /nfs/dbraw/zinc/29/11/22/1067291122.db2.gz SIEFUCPQSXMZGQ-FVQBIDKESA-N 0 1 475.506 -2.667 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158925460 1067291604 /nfs/dbraw/zinc/29/16/04/1067291604.db2.gz JUAYGRQERSONAR-JOCHJYFZSA-N 0 1 476.509 -1.916 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158925461 1067291935 /nfs/dbraw/zinc/29/19/35/1067291935.db2.gz JUAYGRQERSONAR-QFIPXVFZSA-N 0 1 476.509 -1.916 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158935233 1067291541 /nfs/dbraw/zinc/29/15/41/1067291541.db2.gz OZLDRMICFGYNGN-BMFZPTHFSA-N 0 1 484.529 -3.025 20 0 JAADMN CC(C)N(C)C(=O)c1noc2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001158958802 1067291845 /nfs/dbraw/zinc/29/18/45/1067291845.db2.gz KFPYSWURTZMXIJ-UHFFFAOYSA-N 0 1 451.484 -2.653 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967704 1067291812 /nfs/dbraw/zinc/29/18/12/1067291812.db2.gz CLSMJJHSBZWXMU-OKYOBFRVSA-N 0 1 456.503 -1.355 20 0 JAADMN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)C1 ZINC001158990245 1067291641 /nfs/dbraw/zinc/29/16/41/1067291641.db2.gz BISORTYXFUWMQG-UXLLHSPISA-N 0 1 463.539 -1.942 20 0 JAADMN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)C1 ZINC001158990246 1067291696 /nfs/dbraw/zinc/29/16/96/1067291696.db2.gz BISORTYXFUWMQG-ZOBUZTSGSA-N 0 1 463.539 -1.942 20 0 JAADMN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001158991191 1067292493 /nfs/dbraw/zinc/29/24/93/1067292493.db2.gz KBYWMUSOZZVCTQ-CYBMUJFWSA-N 0 1 466.499 -4.089 20 0 JAADMN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001158991192 1067292347 /nfs/dbraw/zinc/29/23/47/1067292347.db2.gz KBYWMUSOZZVCTQ-ZDUSSCGKSA-N 0 1 466.499 -4.089 20 0 JAADMN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1 ZINC001158991973 1067292683 /nfs/dbraw/zinc/29/26/83/1067292683.db2.gz SBUBTIZJWMQQMJ-UXPWSPDFSA-N 0 1 488.545 -1.643 20 0 JAADMN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1 ZINC001158991974 1067292668 /nfs/dbraw/zinc/29/26/68/1067292668.db2.gz SBUBTIZJWMQQMJ-VDGAXYAQSA-N 0 1 488.545 -1.643 20 0 JAADMN CC(C)OCc1nn(CC2CC2)c2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159005226 1067292753 /nfs/dbraw/zinc/29/27/53/1067292753.db2.gz CDSRHFAEAQUTDC-UHFFFAOYSA-N 0 1 477.566 -1.590 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159030313 1067292526 /nfs/dbraw/zinc/29/25/26/1067292526.db2.gz QPRHAXPLKYWHFW-UHFFFAOYSA-N 0 1 473.534 -2.270 20 0 JAADMN Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159035589 1067292789 /nfs/dbraw/zinc/29/27/89/1067292789.db2.gz BVBXMDURHZSEDH-HNNXBMFYSA-N 0 1 487.521 -2.840 20 0 JAADMN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159035590 1067292903 /nfs/dbraw/zinc/29/29/03/1067292903.db2.gz BVBXMDURHZSEDH-OAHLLOKOSA-N 0 1 487.521 -2.840 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159037663 1067292823 /nfs/dbraw/zinc/29/28/23/1067292823.db2.gz NQDLZFPBYBHABR-UHFFFAOYSA-N 0 1 464.523 -2.220 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001159058149 1067292380 /nfs/dbraw/zinc/29/23/80/1067292380.db2.gz VGYDLYWYAUOCCW-UHFFFAOYSA-N 0 1 474.518 -2.282 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159072865 1067292314 /nfs/dbraw/zinc/29/23/14/1067292314.db2.gz XUSWNZBTHHCUAX-MCIONIFRSA-N 0 1 476.494 -3.557 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159073734 1067292878 /nfs/dbraw/zinc/29/28/78/1067292878.db2.gz BUYXKFAKXNSVLT-BIVLZKPYSA-N 0 1 473.534 -1.410 20 0 JAADMN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159073918 1067292405 /nfs/dbraw/zinc/29/24/05/1067292405.db2.gz FLVDSKGPGFTDPB-UHFFFAOYSA-N 0 1 491.553 -4.000 20 0 JAADMN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC2 ZINC001159074760 1067292555 /nfs/dbraw/zinc/29/25/55/1067292555.db2.gz KZKJWQRAKJAEAW-INIZCTEOSA-N 0 1 463.583 -1.049 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159076284 1067293669 /nfs/dbraw/zinc/29/36/69/1067293669.db2.gz SWIGCFUZDQSBAU-LGKHCZOZSA-N 0 1 498.540 -1.111 20 0 JAADMN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001159078067 1067293418 /nfs/dbraw/zinc/29/34/18/1067293418.db2.gz UJXUGLWRJVCUQX-JLTOFOAXSA-N 0 1 470.527 -3.451 20 0 JAADMN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001159078079 1067293457 /nfs/dbraw/zinc/29/34/57/1067293457.db2.gz UJXUGLWRJVCUQX-VBKZILBWSA-N 0 1 470.527 -3.451 20 0 JAADMN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001159078080 1067293247 /nfs/dbraw/zinc/29/32/47/1067293247.db2.gz UJXUGLWRJVCUQX-VLIAUNLRSA-N 0 1 470.527 -3.451 20 0 JAADMN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001159078082 1067293730 /nfs/dbraw/zinc/29/37/30/1067293730.db2.gz UJXUGLWRJVCUQX-XOBRGWDASA-N 0 1 470.527 -3.451 20 0 JAADMN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001159078252 1067293200 /nfs/dbraw/zinc/29/32/00/1067293200.db2.gz VJLQHAWTOYBKLA-CDSYHYPYSA-N 0 1 492.573 -1.006 20 0 JAADMN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001159078253 1067293635 /nfs/dbraw/zinc/29/36/35/1067293635.db2.gz VJLQHAWTOYBKLA-OKFYXZINSA-N 0 1 492.573 -1.006 20 0 JAADMN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001159078254 1067293594 /nfs/dbraw/zinc/29/35/94/1067293594.db2.gz VJLQHAWTOYBKLA-QHYAIYAISA-N 0 1 492.573 -1.006 20 0 JAADMN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001159078255 1067293340 /nfs/dbraw/zinc/29/33/40/1067293340.db2.gz VJLQHAWTOYBKLA-TYZOXTDXSA-N 0 1 492.573 -1.006 20 0 JAADMN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001159078566 1067293304 /nfs/dbraw/zinc/29/33/04/1067293304.db2.gz XRXJHCMXYLQZIW-ACTFIFLWSA-N 0 1 467.567 -1.304 20 0 JAADMN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001159078567 1067293560 /nfs/dbraw/zinc/29/35/60/1067293560.db2.gz XRXJHCMXYLQZIW-DOWNOZBLSA-N 0 1 467.567 -1.304 20 0 JAADMN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001159078568 1067293377 /nfs/dbraw/zinc/29/33/77/1067293377.db2.gz XRXJHCMXYLQZIW-DVSDUFGPSA-N 0 1 467.567 -1.304 20 0 JAADMN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001159078569 1067293694 /nfs/dbraw/zinc/29/36/94/1067293694.db2.gz XRXJHCMXYLQZIW-GEYWLOKFSA-N 0 1 467.567 -1.304 20 0 JAADMN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cn1 ZINC001159084925 1067293807 /nfs/dbraw/zinc/29/38/07/1067293807.db2.gz ONIQZVXNCXJHRE-CADBVGFASA-N 0 1 456.503 -1.121 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159090942 1067293532 /nfs/dbraw/zinc/29/35/32/1067293532.db2.gz HSMXHHJYNNMOFD-PDSXEYIOSA-N 0 1 482.538 -3.309 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159100450 1067293761 /nfs/dbraw/zinc/29/37/61/1067293761.db2.gz UDIXGXCAMHCGDK-ARWBCWGVSA-N 0 1 479.578 -1.162 20 0 JAADMN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1 ZINC001159125066 1067294276 /nfs/dbraw/zinc/29/42/76/1067294276.db2.gz STGIIKQULXKPDM-FQEVSTJZSA-N 0 1 469.543 -4.019 20 0 JAADMN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1 ZINC001159125067 1067294794 /nfs/dbraw/zinc/29/47/94/1067294794.db2.gz STGIIKQULXKPDM-HXUWFJFHSA-N 0 1 469.543 -4.019 20 0 JAADMN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C2)C1 ZINC001159126673 1067294354 /nfs/dbraw/zinc/29/43/54/1067294354.db2.gz QHRQVSQYBNKGBR-MZLICYQSSA-N 0 1 491.589 -1.574 20 0 JAADMN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C2)C1 ZINC001159126679 1067294475 /nfs/dbraw/zinc/29/44/75/1067294475.db2.gz QHRQVSQYBNKGBR-SKPFHBQLSA-N 0 1 491.589 -1.574 20 0 JAADMN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)C2)C1 ZINC001159127156 1067294679 /nfs/dbraw/zinc/29/46/79/1067294679.db2.gz SAQWDELCSVWYLY-HOIFWPIMSA-N 0 1 466.583 -1.872 20 0 JAADMN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)C2)C1 ZINC001159127168 1067294164 /nfs/dbraw/zinc/29/41/64/1067294164.db2.gz SAQWDELCSVWYLY-PNLZDCPESA-N 0 1 466.583 -1.872 20 0 JAADMN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)O1 ZINC001159135443 1067294654 /nfs/dbraw/zinc/29/46/54/1067294654.db2.gz CFQWWTDLFXBCMJ-XDWAVFMPSA-N 0 1 492.573 -1.008 20 0 JAADMN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CN)O1 ZINC001159136015 1067294325 /nfs/dbraw/zinc/29/43/25/1067294325.db2.gz IOSWTFLVOZUPLD-RBSFLKMASA-N 0 1 470.527 -3.453 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001159136210 1067294837 /nfs/dbraw/zinc/29/48/37/1067294837.db2.gz PJPHKNFYGUHHCU-OBVSXPTNSA-N 0 1 467.567 -1.306 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159145692 1067294777 /nfs/dbraw/zinc/29/47/77/1067294777.db2.gz IULPPYIXZCGZHD-KSFYIVLOSA-N 0 1 476.534 -1.835 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159145937 1067294530 /nfs/dbraw/zinc/29/45/30/1067294530.db2.gz JVKGOPYQUIDQGQ-JOCHJYFZSA-N 0 1 473.534 -2.128 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159145938 1067294759 /nfs/dbraw/zinc/29/47/59/1067294759.db2.gz JVKGOPYQUIDQGQ-QFIPXVFZSA-N 0 1 473.534 -2.128 20 0 JAADMN CCOC(=O)C1(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CNC1 ZINC001159190834 1067295749 /nfs/dbraw/zinc/29/57/49/1067295749.db2.gz MLFZNRNXFDUDHK-FQEVSTJZSA-N 0 1 456.565 -1.128 20 0 JAADMN CCOC(=O)C1(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CNC1 ZINC001159190839 1067295637 /nfs/dbraw/zinc/29/56/37/1067295637.db2.gz MLFZNRNXFDUDHK-HXUWFJFHSA-N 0 1 456.565 -1.128 20 0 JAADMN CC(=O)NCSC[C@H](N)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159190961 1067295820 /nfs/dbraw/zinc/29/58/20/1067295820.db2.gz ONVZPZHWQUYARE-HNAYVOBHSA-N 0 1 475.637 -1.127 20 0 JAADMN CC(=O)NCSC[C@H](N)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159190962 1067295606 /nfs/dbraw/zinc/29/56/06/1067295606.db2.gz ONVZPZHWQUYARE-KXBFYZLASA-N 0 1 475.637 -1.127 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159191881 1067296535 /nfs/dbraw/zinc/29/65/35/1067296535.db2.gz ZHRTVTZZMGMXSL-CKFHNAJUSA-N 0 1 459.569 -2.457 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159191883 1067296632 /nfs/dbraw/zinc/29/66/32/1067296632.db2.gz ZHRTVTZZMGMXSL-NJSLBKSFSA-N 0 1 459.569 -2.457 20 0 JAADMN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]21 ZINC001159203302 1067297002 /nfs/dbraw/zinc/29/70/02/1067297002.db2.gz OAGZLMRMGPAHJT-MELADBBJSA-N 0 1 455.516 -3.572 20 0 JAADMN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C[C@@H]21 ZINC001159203741 1067296968 /nfs/dbraw/zinc/29/69/68/1067296968.db2.gz QGMHACCDXKKKPE-ONSCTEFMSA-N 0 1 477.562 -1.126 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159211667 1067297037 /nfs/dbraw/zinc/29/70/37/1067297037.db2.gz LJJQJBTVYFQALE-RCCFBDPRSA-N 0 1 476.534 -1.946 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159218667 1067297172 /nfs/dbraw/zinc/29/71/72/1067297172.db2.gz FAVXUMYZKZFTCD-NRFANRHFSA-N 0 1 478.575 -1.490 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159218673 1067297120 /nfs/dbraw/zinc/29/71/20/1067297120.db2.gz FAVXUMYZKZFTCD-OAQYLSRUSA-N 0 1 478.575 -1.490 20 0 JAADMN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001159226050 1067297145 /nfs/dbraw/zinc/29/71/45/1067297145.db2.gz XJJSZSVPBFYGRY-BPUTZDHNSA-N 0 1 473.538 -1.510 20 0 JAADMN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001159226051 1067296935 /nfs/dbraw/zinc/29/69/35/1067296935.db2.gz XJJSZSVPBFYGRY-IMJJTQAJSA-N 0 1 473.538 -1.510 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159227872 1067297818 /nfs/dbraw/zinc/29/78/18/1067297818.db2.gz KBSCRYWLEORBQU-HTAPYJJXSA-N 0 1 476.534 -1.944 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)c1ccsc1)CCO2 ZINC001159234445 1067297776 /nfs/dbraw/zinc/29/77/76/1067297776.db2.gz JQAKQIYSIQWXEN-YCRPNKLZSA-N 0 1 494.574 -2.065 20 0 JAADMN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cn1 ZINC001159236931 1067297618 /nfs/dbraw/zinc/29/76/18/1067297618.db2.gz VQRKRDKYECLHPW-LWYYNNOASA-N 0 1 470.530 -1.012 20 0 JAADMN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001159257364 1067297666 /nfs/dbraw/zinc/29/76/66/1067297666.db2.gz NYLCMTYCEPUWTA-JKSUJKDBSA-N 0 1 459.507 -2.601 20 0 JAADMN Cn1cccc1C(=O)N[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CCCO[C@@H]21 ZINC001159266525 1067297643 /nfs/dbraw/zinc/29/76/43/1067297643.db2.gz DVFLWXLJFCMNQP-LRDNONRASA-N 0 1 477.522 -3.179 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](NC(=O)c2cccn2C)[C@H]2OCCC[C@H]21 ZINC001159268970 1067297566 /nfs/dbraw/zinc/29/75/66/1067297566.db2.gz UYRWMIYBWQFOQQ-KFYUBCHVSA-N 0 1 474.562 -1.032 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273150 1067297687 /nfs/dbraw/zinc/29/76/87/1067297687.db2.gz PNUGMOHDELNNEP-OKYOBFRVSA-N 0 1 456.503 -1.355 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159273669 1067297705 /nfs/dbraw/zinc/29/77/05/1067297705.db2.gz SWBCEOPIELKNID-UHFFFAOYSA-N 0 1 475.466 -3.549 20 0 JAADMN CC[C@@H]1N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCC[C@]12CCC(=O)N2CCOC ZINC001159275485 1067297799 /nfs/dbraw/zinc/29/77/99/1067297799.db2.gz FVUJYBSSQMADLD-BTYIYWSLSA-N 0 1 468.555 -2.298 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001159275795 1067297845 /nfs/dbraw/zinc/29/78/45/1067297845.db2.gz HFWPTQGULHEUJN-UHFFFAOYSA-N 0 1 483.529 -1.615 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC001159278705 1067297728 /nfs/dbraw/zinc/29/77/28/1067297728.db2.gz BDLMGILHYGYYJE-UHFFFAOYSA-N 0 1 472.546 -1.551 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159278826 1067297595 /nfs/dbraw/zinc/29/75/95/1067297595.db2.gz DCKUJEWGWUBIIW-ZFWWWQNUSA-N 0 1 472.506 -1.402 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159278934 1067297924 /nfs/dbraw/zinc/29/79/24/1067297924.db2.gz FDMLLNDVEKBUFP-ROUUACIJSA-N 0 1 497.512 -1.104 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001159283452 1067297489 /nfs/dbraw/zinc/29/74/89/1067297489.db2.gz QZYXDOINBXCLPG-HNNXBMFYSA-N 0 1 472.506 -2.377 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001159283453 1067297861 /nfs/dbraw/zinc/29/78/61/1067297861.db2.gz QZYXDOINBXCLPG-OAHLLOKOSA-N 0 1 472.506 -2.377 20 0 JAADMN Cc1cccc(N2CCC[C@]3(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCO3)C2)c1 ZINC001159290960 1067297892 /nfs/dbraw/zinc/29/78/92/1067297892.db2.gz JQIDVIZYESTLRP-HSZRJFAPSA-N 0 1 474.562 -1.500 20 0 JAADMN Cc1cccc(N2CCC[C@@]3(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCO3)C2)c1 ZINC001159290962 1067297536 /nfs/dbraw/zinc/29/75/36/1067297536.db2.gz JQIDVIZYESTLRP-QHCPKHFHSA-N 0 1 474.562 -1.500 20 0 JAADMN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C[C@H]32)nn1 ZINC001159297605 1067297946 /nfs/dbraw/zinc/29/79/46/1067297946.db2.gz MQMAKQOLUYDYFU-HAGHYFMRSA-N 0 1 470.530 -1.046 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001159309574 1067297977 /nfs/dbraw/zinc/29/79/77/1067297977.db2.gz GDRZOOJELSPYMX-UHFFFAOYSA-N 0 1 471.493 -1.483 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001159317616 1067298631 /nfs/dbraw/zinc/29/86/31/1067298631.db2.gz BBHDJOVAFDSURV-UHFFFAOYSA-N 0 1 473.494 -2.961 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159338660 1067298282 /nfs/dbraw/zinc/29/82/82/1067298282.db2.gz GVLFIWMRWZSTQB-AWEZNQCLSA-N 0 1 480.497 -1.943 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159338665 1067298645 /nfs/dbraw/zinc/29/86/45/1067298645.db2.gz GVLFIWMRWZSTQB-CQSZACIVSA-N 0 1 480.497 -1.943 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001159358710 1067298442 /nfs/dbraw/zinc/29/84/42/1067298442.db2.gz PXQCEJPYFPGJDS-MRUHUIDDSA-N 0 1 489.533 -2.875 20 0 JAADMN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159376063 1067298526 /nfs/dbraw/zinc/29/85/26/1067298526.db2.gz UOSLYCPDIVNXDE-KRWDZBQOSA-N 0 1 486.533 -2.235 20 0 JAADMN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159376073 1067298693 /nfs/dbraw/zinc/29/86/93/1067298693.db2.gz UOSLYCPDIVNXDE-QGZVFWFLSA-N 0 1 486.533 -2.235 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388243 1067298560 /nfs/dbraw/zinc/29/85/60/1067298560.db2.gz MMXKEUWOMRXVEE-UHFFFAOYSA-N 0 1 472.510 -2.675 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403872 1067299388 /nfs/dbraw/zinc/29/93/88/1067299388.db2.gz OYYZJOGGMHHOGS-XCLFUZPHSA-N 0 1 466.470 -2.618 20 0 JAADMN CN(Cc1cccnc1)[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CCCO[C@H]12 ZINC001159426685 1067299491 /nfs/dbraw/zinc/29/94/91/1067299491.db2.gz ZDMHEGADGZFTFW-YVHKJVDXSA-N 0 1 475.550 -2.421 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159427211 1067299216 /nfs/dbraw/zinc/29/92/16/1067299216.db2.gz MCYAHTPRSRYNHT-FQEVSTJZSA-N 0 1 496.546 -2.984 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159427212 1067299060 /nfs/dbraw/zinc/29/90/60/1067299060.db2.gz MCYAHTPRSRYNHT-HXUWFJFHSA-N 0 1 496.546 -2.984 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1 ZINC001159435599 1067299963 /nfs/dbraw/zinc/29/99/63/1067299963.db2.gz DMYZMFNJBXKTKY-SPLOXXLWSA-N 0 1 494.574 -2.811 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC001159436663 1067300042 /nfs/dbraw/zinc/30/00/42/1067300042.db2.gz NOQLIHXPLIECOP-UHFFFAOYSA-N 0 1 459.482 -1.550 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001159443989 1067300189 /nfs/dbraw/zinc/30/01/89/1067300189.db2.gz KTBGJIXFQSNEEY-DJIMGWMZSA-N 0 1 492.533 -2.543 20 0 JAADMN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)c1 ZINC001159450355 1067300354 /nfs/dbraw/zinc/30/03/54/1067300354.db2.gz LSOSUXKBPYGRHQ-JPYJTQIMSA-N 0 1 474.562 -1.157 20 0 JAADMN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)O1 ZINC001159450836 1067300290 /nfs/dbraw/zinc/30/02/90/1067300290.db2.gz PVESDLCBIXXKOH-JLTOFOAXSA-N 0 1 469.543 -2.895 20 0 JAADMN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CNCc4ccnn4C3)C[C@@H]21)N1CCOCC1 ZINC001159451661 1067300124 /nfs/dbraw/zinc/30/01/24/1067300124.db2.gz SAPNLZNBGSHNCG-BZZMCLGOSA-N 0 1 451.549 -1.277 20 0 JAADMN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@H]3CNCc4ccnn4C3)C[C@@H]21)N1CCOCC1 ZINC001159451662 1067300251 /nfs/dbraw/zinc/30/02/51/1067300251.db2.gz SAPNLZNBGSHNCG-DZJNRPSUSA-N 0 1 451.549 -1.277 20 0 JAADMN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@H]3CNCc4ccnn4C3)C[C@@H]21)N1CCOCC1 ZINC001159451663 1067300083 /nfs/dbraw/zinc/30/00/83/1067300083.db2.gz SAPNLZNBGSHNCG-DZOHQFGASA-N 0 1 451.549 -1.277 20 0 JAADMN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CNCc4ccnn4C3)C[C@@H]21)N1CCOCC1 ZINC001159451664 1067300006 /nfs/dbraw/zinc/30/00/06/1067300006.db2.gz SAPNLZNBGSHNCG-VDHUWJSZSA-N 0 1 451.549 -1.277 20 0 JAADMN NC(=O)c1ccc(C[C@H](N)C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1 ZINC001159456914 1067300951 /nfs/dbraw/zinc/30/09/51/1067300951.db2.gz AVSONTDUMBTCRL-AKHDSKFASA-N 0 1 478.571 -1.224 20 0 JAADMN NC(=O)c1ccc(C[C@H](N)C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1 ZINC001159456915 1067300637 /nfs/dbraw/zinc/30/06/37/1067300637.db2.gz AVSONTDUMBTCRL-ZSYWTGECSA-N 0 1 478.571 -1.224 20 0 JAADMN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457140 1067300704 /nfs/dbraw/zinc/30/07/04/1067300704.db2.gz FSCCADFKAQDPPG-JZAWBGDQSA-N 0 1 456.565 -1.555 20 0 JAADMN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457141 1067300905 /nfs/dbraw/zinc/30/09/05/1067300905.db2.gz FSCCADFKAQDPPG-ZOFXXKQRSA-N 0 1 456.565 -1.555 20 0 JAADMN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457708 1067301534 /nfs/dbraw/zinc/30/15/34/1067301534.db2.gz IQSJMFGTFFZMMN-KLHDSHLOSA-N 0 1 475.589 -2.116 20 0 JAADMN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457709 1067301288 /nfs/dbraw/zinc/30/12/88/1067301288.db2.gz IQSJMFGTFFZMMN-LVQVYYBASA-N 0 1 475.589 -2.116 20 0 JAADMN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457710 1067301333 /nfs/dbraw/zinc/30/13/33/1067301333.db2.gz IQSJMFGTFFZMMN-XUWVNRHRSA-N 0 1 475.589 -2.116 20 0 JAADMN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457711 1067301428 /nfs/dbraw/zinc/30/14/28/1067301428.db2.gz IQSJMFGTFFZMMN-ZJIFWQFVSA-N 0 1 475.589 -2.116 20 0 JAADMN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457992 1067301353 /nfs/dbraw/zinc/30/13/53/1067301353.db2.gz KPDXJSLGCQRIFQ-JMIFQINSSA-N 0 1 458.581 -1.404 20 0 JAADMN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457993 1067301459 /nfs/dbraw/zinc/30/14/59/1067301459.db2.gz KPDXJSLGCQRIFQ-UJHHCITNSA-N 0 1 458.581 -1.404 20 0 JAADMN N[C@H]1CCCCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1=O ZINC001159458276 1067301629 /nfs/dbraw/zinc/30/16/29/1067301629.db2.gz MIXYKPHNBUYHFZ-VVLHAWIVSA-N 0 1 456.565 -1.553 20 0 JAADMN N[C@H]1CCCCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1=O ZINC001159458277 1067301260 /nfs/dbraw/zinc/30/12/60/1067301260.db2.gz MIXYKPHNBUYHFZ-WCXIOVBPSA-N 0 1 456.565 -1.553 20 0 JAADMN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)COC1(C)C ZINC001159458980 1067302216 /nfs/dbraw/zinc/30/22/16/1067302216.db2.gz SMWOFWRMANEXPR-JZAWBGDQSA-N 0 1 486.591 -1.582 20 0 JAADMN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)COC1(C)C ZINC001159458981 1067301860 /nfs/dbraw/zinc/30/18/60/1067301860.db2.gz SMWOFWRMANEXPR-ZOFXXKQRSA-N 0 1 486.591 -1.582 20 0 JAADMN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459028 1067302251 /nfs/dbraw/zinc/30/22/51/1067302251.db2.gz UBBMZDOHFDZUKD-SBJFKYEJSA-N 0 1 473.552 -3.186 20 0 JAADMN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459029 1067301880 /nfs/dbraw/zinc/30/18/80/1067301880.db2.gz UBBMZDOHFDZUKD-VYDRJRHOSA-N 0 1 473.552 -3.186 20 0 JAADMN CC(C)C[C@H](NC(=O)CN)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459192 1067302065 /nfs/dbraw/zinc/30/20/65/1067302065.db2.gz WEMCRQLQPLTJON-VVLHAWIVSA-N 0 1 458.581 -1.404 20 0 JAADMN CC(C)C[C@H](NC(=O)CN)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459194 1067302332 /nfs/dbraw/zinc/30/23/32/1067302332.db2.gz WEMCRQLQPLTJON-WCXIOVBPSA-N 0 1 458.581 -1.404 20 0 JAADMN NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459213 1067302173 /nfs/dbraw/zinc/30/21/73/1067302173.db2.gz WGRDLYNKTAIBNL-YSTOQKLRSA-N 0 1 492.598 -1.207 20 0 JAADMN NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459216 1067301998 /nfs/dbraw/zinc/30/19/98/1067301998.db2.gz WGRDLYNKTAIBNL-ZGXWSNOMSA-N 0 1 492.598 -1.207 20 0 JAADMN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459238 1067302196 /nfs/dbraw/zinc/30/21/96/1067302196.db2.gz WPZDFKXWOFHBDQ-IECFSIQFSA-N 0 1 472.608 -1.015 20 0 JAADMN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459240 1067302703 /nfs/dbraw/zinc/30/27/03/1067302703.db2.gz WPZDFKXWOFHBDQ-OBVSXPTNSA-N 0 1 472.608 -1.015 20 0 JAADMN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001159462925 1067303122 /nfs/dbraw/zinc/30/31/22/1067303122.db2.gz MCPMXHOIECBBKS-NRFANRHFSA-N 0 1 476.538 -2.841 20 0 JAADMN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001159462926 1067302981 /nfs/dbraw/zinc/30/29/81/1067302981.db2.gz MCPMXHOIECBBKS-OAQYLSRUSA-N 0 1 476.538 -2.841 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491394 1067303043 /nfs/dbraw/zinc/30/30/43/1067303043.db2.gz CJGAYHNDSWHMSS-UHFFFAOYSA-N 0 1 450.456 -3.968 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159491601 1067302865 /nfs/dbraw/zinc/30/28/65/1067302865.db2.gz FERYFIVOOOTRMO-BQFCYCMXSA-N 0 1 459.551 -1.082 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159491602 1067303099 /nfs/dbraw/zinc/30/30/99/1067303099.db2.gz FERYFIVOOOTRMO-JZXOWHBKSA-N 0 1 459.551 -1.082 20 0 JAADMN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C2)C1=O ZINC001159492946 1067303461 /nfs/dbraw/zinc/30/34/61/1067303461.db2.gz OESICYILAAKNTN-AXHZCLLHSA-N 0 1 489.573 -1.332 20 0 JAADMN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C2)C1=O ZINC001159492947 1067303738 /nfs/dbraw/zinc/30/37/38/1067303738.db2.gz OESICYILAAKNTN-JXQFQVJHSA-N 0 1 489.573 -1.332 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001159493302 1067303727 /nfs/dbraw/zinc/30/37/27/1067303727.db2.gz RUAAYQCZQPCECD-PONJGIIJSA-N 0 1 464.567 -1.630 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001159493307 1067303602 /nfs/dbraw/zinc/30/36/02/1067303602.db2.gz RUAAYQCZQPCECD-WCJKSRRJSA-N 0 1 464.567 -1.630 20 0 JAADMN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1=O ZINC001159493767 1067303979 /nfs/dbraw/zinc/30/39/79/1067303979.db2.gz WYWIBSKWYLNODW-FQEVSTJZSA-N 0 1 467.527 -3.777 20 0 JAADMN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1=O ZINC001159493772 1067303552 /nfs/dbraw/zinc/30/35/52/1067303552.db2.gz WYWIBSKWYLNODW-HXUWFJFHSA-N 0 1 467.527 -3.777 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493829 1067303697 /nfs/dbraw/zinc/30/36/97/1067303697.db2.gz RNFPTZMBWJABPZ-WMZOPIPTSA-N 0 1 472.502 -1.523 20 0 JAADMN Cc1nc(CO[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]3CCCO[C@H]23)cs1 ZINC001159506918 1067303892 /nfs/dbraw/zinc/30/38/92/1067303892.db2.gz HUNCPHACNCRJPI-SXGZJXTBSA-N 0 1 482.563 -1.966 20 0 JAADMN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C2 ZINC001159519636 1067303376 /nfs/dbraw/zinc/30/33/76/1067303376.db2.gz KOEQNSDPUZPJHD-ROUUACIJSA-N 0 1 473.534 -1.259 20 0 JAADMN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159520725 1067303495 /nfs/dbraw/zinc/30/34/95/1067303495.db2.gz ZRKCADIKFLOSJF-UHFFFAOYSA-N 0 1 451.488 -3.704 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1 ZINC001159533274 1067304321 /nfs/dbraw/zinc/30/43/21/1067304321.db2.gz KMJJIJGJONJOOD-BRWVUGGUSA-N 0 1 480.566 -2.440 20 0 JAADMN CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159540630 1067304227 /nfs/dbraw/zinc/30/42/27/1067304227.db2.gz DEOUIZHKWLVFEV-VLIAUNLRSA-N 0 1 454.528 -3.069 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540978 1067304532 /nfs/dbraw/zinc/30/45/32/1067304532.db2.gz LLGKENIXXZBNRE-DFBFWZJZSA-N 0 1 466.560 -1.563 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600148 1067305030 /nfs/dbraw/zinc/30/50/30/1067305030.db2.gz RTYUIBGRQOMIHF-RQDXYIEZSA-N 0 1 453.521 -2.210 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159601035 1067305125 /nfs/dbraw/zinc/30/51/25/1067305125.db2.gz YMJNBPVZAFGRCA-UJMXGEILSA-N 0 1 460.531 -1.119 20 0 JAADMN C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159607903 1067305331 /nfs/dbraw/zinc/30/53/31/1067305331.db2.gz CXRRZXWIYZUXIR-GFCCVEGCSA-N 0 1 462.511 -2.774 20 0 JAADMN C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159607907 1067305300 /nfs/dbraw/zinc/30/53/00/1067305300.db2.gz CXRRZXWIYZUXIR-LBPRGKRZSA-N 0 1 462.511 -2.774 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159610766 1067304996 /nfs/dbraw/zinc/30/49/96/1067304996.db2.gz SNXFSWFDVWAANA-UZUQRXQVSA-N 0 1 488.545 -2.872 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625137 1067305986 /nfs/dbraw/zinc/30/59/86/1067305986.db2.gz RVWAYOQLSPKTKG-MGPQQGTHSA-N 0 1 454.484 -3.394 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625604 1067306016 /nfs/dbraw/zinc/30/60/16/1067306016.db2.gz YGAPTKXMSHBIHN-DMRKSPOLSA-N 0 1 451.524 -1.247 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159632845 1067305619 /nfs/dbraw/zinc/30/56/19/1067305619.db2.gz BAUJUGJOZCAINS-PMACEKPBSA-N 0 1 495.540 -1.027 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633314 1067305688 /nfs/dbraw/zinc/30/56/88/1067305688.db2.gz IOQJCAAMPSVBNU-UHFFFAOYSA-N 0 1 473.494 -3.472 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633837 1067306191 /nfs/dbraw/zinc/30/61/91/1067306191.db2.gz STVNOLPNPKRFCL-RDJZCZTQSA-N 0 1 470.534 -1.325 20 0 JAADMN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC[C@H]2C1=O ZINC001159642900 1067305726 /nfs/dbraw/zinc/30/57/26/1067305726.db2.gz CWTRXAZHPUGNEC-KZNAEPCWSA-N 0 1 494.593 -2.337 20 0 JAADMN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001159652356 1067305807 /nfs/dbraw/zinc/30/58/07/1067305807.db2.gz ALISXEVMMMEQKO-TVVUZDRGSA-N 0 1 499.572 -1.298 20 0 JAADMN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001159652357 1067306150 /nfs/dbraw/zinc/30/61/50/1067306150.db2.gz ALISXEVMMMEQKO-UXSWERMXSA-N 0 1 499.572 -1.298 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654431 1067307152 /nfs/dbraw/zinc/30/71/52/1067307152.db2.gz MMXBWBCLMGJGQW-UHFFFAOYSA-N 0 1 476.494 -3.492 20 0 JAADMN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159663579 1067306744 /nfs/dbraw/zinc/30/67/44/1067306744.db2.gz ONTQAIGSGWTHPR-UHFFFAOYSA-N 0 1 487.521 -3.199 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159664099 1067306982 /nfs/dbraw/zinc/30/69/82/1067306982.db2.gz WXWYUXMSMTWKOP-YJBOKZPZSA-N 0 1 484.561 -1.052 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159667977 1067307006 /nfs/dbraw/zinc/30/70/06/1067307006.db2.gz WABYFMSCMPRASP-RDJZCZTQSA-N 0 1 473.534 -1.345 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159668601 1067306486 /nfs/dbraw/zinc/30/64/86/1067306486.db2.gz YXMSQWCCOYFSGP-PMACEKPBSA-N 0 1 498.540 -1.046 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159677776 1067307034 /nfs/dbraw/zinc/30/70/34/1067307034.db2.gz OYCSAUJXULVSJA-GDBMZVCRSA-N 0 1 478.506 -2.724 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677993 1067306936 /nfs/dbraw/zinc/30/69/36/1067306936.db2.gz QMDGBRMPXBNCMI-UHFFFAOYSA-N 0 1 461.523 -2.413 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159695609 1067306654 /nfs/dbraw/zinc/30/66/54/1067306654.db2.gz AHOSXQOLNAEGFH-ARFHVFGLSA-N 0 1 462.507 -2.226 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159695615 1067307111 /nfs/dbraw/zinc/30/71/11/1067307111.db2.gz AHOSXQOLNAEGFH-BZUAXINKSA-N 0 1 462.507 -2.226 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159695618 1067307058 /nfs/dbraw/zinc/30/70/58/1067307058.db2.gz AHOSXQOLNAEGFH-HRCADAONSA-N 0 1 462.507 -2.226 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159695621 1067306807 /nfs/dbraw/zinc/30/68/07/1067306807.db2.gz AHOSXQOLNAEGFH-OWCLPIDISA-N 0 1 462.507 -2.226 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159700229 1067306778 /nfs/dbraw/zinc/30/67/78/1067306778.db2.gz ROSKHLRQZQYEDL-INIZCTEOSA-N 0 1 458.519 -2.184 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159700230 1067306882 /nfs/dbraw/zinc/30/68/82/1067306882.db2.gz ROSKHLRQZQYEDL-MRXNPFEDSA-N 0 1 458.519 -2.184 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710584 1067307758 /nfs/dbraw/zinc/30/77/58/1067307758.db2.gz JGCMQVBJCPAENX-IAMHBRQHSA-N 0 1 490.521 -3.480 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159710586 1067307371 /nfs/dbraw/zinc/30/73/71/1067307371.db2.gz JGCMQVBJCPAENX-WAWZGNHOSA-N 0 1 490.521 -3.480 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159710587 1067307552 /nfs/dbraw/zinc/30/75/52/1067307552.db2.gz JGCMQVBJCPAENX-XBHMSOGKSA-N 0 1 490.521 -3.480 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710589 1067307814 /nfs/dbraw/zinc/30/78/14/1067307814.db2.gz JGCMQVBJCPAENX-ZQGRQUNCSA-N 0 1 490.521 -3.480 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712432 1067307572 /nfs/dbraw/zinc/30/75/72/1067307572.db2.gz RBCKHDGFLBZWIJ-BOHLSTHVSA-N 0 1 487.561 -1.333 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159712434 1067307442 /nfs/dbraw/zinc/30/74/42/1067307442.db2.gz RBCKHDGFLBZWIJ-CHBAHTGHSA-N 0 1 487.561 -1.333 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159712437 1067307518 /nfs/dbraw/zinc/30/75/18/1067307518.db2.gz RBCKHDGFLBZWIJ-KHDPWXAISA-N 0 1 487.561 -1.333 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712440 1067307535 /nfs/dbraw/zinc/30/75/35/1067307535.db2.gz RBCKHDGFLBZWIJ-XOZDYOFUSA-N 0 1 487.561 -1.333 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159721060 1067307853 /nfs/dbraw/zinc/30/78/53/1067307853.db2.gz DGTVIIWVIJBWAM-UHFFFAOYSA-N 0 1 479.563 -2.095 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159725144 1067307495 /nfs/dbraw/zinc/30/74/95/1067307495.db2.gz ZFKXJWGNQSWXJP-AWEZNQCLSA-N 0 1 485.505 -2.496 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159725145 1067307643 /nfs/dbraw/zinc/30/76/43/1067307643.db2.gz ZFKXJWGNQSWXJP-CQSZACIVSA-N 0 1 485.505 -2.496 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159736883 1067307612 /nfs/dbraw/zinc/30/76/12/1067307612.db2.gz HERHDAGIGWWTTK-VFNWGFHPSA-N 0 1 482.538 -3.592 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159747456 1067308182 /nfs/dbraw/zinc/30/81/82/1067308182.db2.gz RPQJOVAQLXXEKM-JLTOFOAXSA-N 0 1 452.512 -3.173 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159749313 1067308217 /nfs/dbraw/zinc/30/82/17/1067308217.db2.gz CBJJQKIILMZGRJ-HUUCEWRRSA-N 0 1 464.454 -2.924 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159765781 1067308393 /nfs/dbraw/zinc/30/83/93/1067308393.db2.gz MFTFTQXHVUNLHN-OAGGEKHMSA-N 0 1 466.539 -3.069 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767249 1067308505 /nfs/dbraw/zinc/30/85/05/1067308505.db2.gz DZUZTRWPSZJKFY-OAGGEKHMSA-N 0 1 482.538 -3.736 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768440 1067308639 /nfs/dbraw/zinc/30/86/39/1067308639.db2.gz SRXGGYVBLVDODB-JKEDJMADSA-N 0 1 479.578 -1.589 20 0 JAADMN Cc1nc(CN2CC[C@]3(CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)C2=O)cs1 ZINC001159783642 1067308452 /nfs/dbraw/zinc/30/84/52/1067308452.db2.gz VSFFEADSAIHHBH-NRFANRHFSA-N 0 1 493.590 -1.900 20 0 JAADMN Cc1nc(CN2CC[C@@]3(CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)C2=O)cs1 ZINC001159783668 1067308321 /nfs/dbraw/zinc/30/83/21/1067308321.db2.gz VSFFEADSAIHHBH-OAQYLSRUSA-N 0 1 493.590 -1.900 20 0 JAADMN CN1Cc2ccccc2CC2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)C1=O ZINC001159798576 1067308579 /nfs/dbraw/zinc/30/85/79/1067308579.db2.gz NSOJFJGWLZMNCD-UHFFFAOYSA-N 0 1 472.546 -1.883 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001159810450 1067308705 /nfs/dbraw/zinc/30/87/05/1067308705.db2.gz BQBAGCQDNOHRAU-OPAMFIHVSA-N 0 1 489.533 -2.987 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159817632 1067308345 /nfs/dbraw/zinc/30/83/45/1067308345.db2.gz IDWSAAUXBNTDBC-AWEZNQCLSA-N 0 1 466.539 -2.640 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159817633 1067308680 /nfs/dbraw/zinc/30/86/80/1067308680.db2.gz IDWSAAUXBNTDBC-CQSZACIVSA-N 0 1 466.539 -2.640 20 0 JAADMN CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159846967 1067308813 /nfs/dbraw/zinc/30/88/13/1067308813.db2.gz XAKDFXBZKJQOQN-HNNXBMFYSA-N 0 1 468.555 -2.536 20 0 JAADMN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159846969 1067309169 /nfs/dbraw/zinc/30/91/69/1067309169.db2.gz XAKDFXBZKJQOQN-OAHLLOKOSA-N 0 1 468.555 -2.536 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001159868200 1067309147 /nfs/dbraw/zinc/30/91/47/1067309147.db2.gz WRKQQDYIWGTNBX-UDQVXKKJSA-N 0 1 476.509 -1.444 20 0 JAADMN CN(Cc1ccco1)Cc1cncc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159898473 1067309434 /nfs/dbraw/zinc/30/94/34/1067309434.db2.gz MFSPJCIHFUTCNA-UHFFFAOYSA-N 0 1 485.545 -1.501 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159909565 1067309121 /nfs/dbraw/zinc/30/91/21/1067309121.db2.gz MWUDUMUAZAWSGP-ARGWCVDVSA-N 0 1 482.563 -2.027 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159909574 1067309395 /nfs/dbraw/zinc/30/93/95/1067309395.db2.gz MWUDUMUAZAWSGP-LAPQFRIASA-N 0 1 482.563 -2.027 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159909577 1067309647 /nfs/dbraw/zinc/30/96/47/1067309647.db2.gz MWUDUMUAZAWSGP-LRDNONRASA-N 0 1 482.563 -2.027 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159909579 1067309197 /nfs/dbraw/zinc/30/91/97/1067309197.db2.gz MWUDUMUAZAWSGP-PJSUUKDQSA-N 0 1 482.563 -2.027 20 0 JAADMN COCCN1CCO[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)CC[C@H]2C1=O ZINC001159917985 1067309043 /nfs/dbraw/zinc/30/90/43/1067309043.db2.gz ORAICXUDCSQDBD-YVSFHVDLSA-N 0 1 453.540 -1.837 20 0 JAADMN COCCN1CCO[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC[C@H]2C1=O ZINC001159918137 1067310070 /nfs/dbraw/zinc/31/00/70/1067310070.db2.gz QPGDHYVFGIGRQQ-KGLIPLIRSA-N 0 1 456.500 -3.984 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159930815 1067309953 /nfs/dbraw/zinc/30/99/53/1067309953.db2.gz UGJHPMJEHBHLDS-NRFANRHFSA-N 0 1 494.528 -2.632 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159930818 1067310014 /nfs/dbraw/zinc/31/00/14/1067310014.db2.gz UGJHPMJEHBHLDS-OAQYLSRUSA-N 0 1 494.528 -2.632 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937981 1067310135 /nfs/dbraw/zinc/31/01/35/1067310135.db2.gz GTVCQBPAAKIRJK-FVQBIDKESA-N 0 1 466.539 -2.784 20 0 JAADMN CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159939977 1067310099 /nfs/dbraw/zinc/31/00/99/1067310099.db2.gz OHZCHEVPWFPDLV-GOSISDBHSA-N 0 1 486.573 -1.309 20 0 JAADMN CCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159939978 1067309787 /nfs/dbraw/zinc/30/97/87/1067309787.db2.gz OHZCHEVPWFPDLV-SFHVURJKSA-N 0 1 486.573 -1.309 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001159949217 1067309984 /nfs/dbraw/zinc/30/99/84/1067309984.db2.gz MWSJGOOLCKVHSV-DEOSSOPVSA-N 0 1 495.540 -1.549 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001159949219 1067310190 /nfs/dbraw/zinc/31/01/90/1067310190.db2.gz MWSJGOOLCKVHSV-XMMPIXPASA-N 0 1 495.540 -1.549 20 0 JAADMN Cn1ccc(CN2CCOCC23CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC3)n1 ZINC001159961894 1067309923 /nfs/dbraw/zinc/30/99/23/1067309923.db2.gz OBYDLIRSKTZGJY-UHFFFAOYSA-N 0 1 478.554 -3.079 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001159966224 1067309814 /nfs/dbraw/zinc/30/98/14/1067309814.db2.gz FUNAAQYAPVPVIP-FDDCHVKYSA-N 0 1 490.561 -1.697 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001159966225 1067310401 /nfs/dbraw/zinc/31/04/01/1067310401.db2.gz FUNAAQYAPVPVIP-JPYJTQIMSA-N 0 1 490.561 -1.697 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001159966226 1067310456 /nfs/dbraw/zinc/31/04/56/1067310456.db2.gz FUNAAQYAPVPVIP-MBSDFSHPSA-N 0 1 490.561 -1.697 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001159966227 1067310676 /nfs/dbraw/zinc/31/06/76/1067310676.db2.gz FUNAAQYAPVPVIP-WZONZLPQSA-N 0 1 490.561 -1.697 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159980237 1067310811 /nfs/dbraw/zinc/31/08/11/1067310811.db2.gz KJDFQMVGPOLRTD-VFNWGFHPSA-N 0 1 482.538 -3.307 20 0 JAADMN Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]21 ZINC001159987188 1067310915 /nfs/dbraw/zinc/31/09/15/1067310915.db2.gz DZIPNHFTTKAESW-CVEARBPZSA-N 0 1 465.511 -2.990 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159987861 1067310491 /nfs/dbraw/zinc/31/04/91/1067310491.db2.gz PIJKUNUFDCNCRO-FXKZBUDASA-N 0 1 479.578 -1.160 20 0 JAADMN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]12 ZINC001159991607 1067310573 /nfs/dbraw/zinc/31/05/73/1067310573.db2.gz KWXCJNNDNLPBNP-FDDCHVKYSA-N 0 1 472.546 -1.915 20 0 JAADMN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]12 ZINC001159991619 1067310629 /nfs/dbraw/zinc/31/06/29/1067310629.db2.gz KWXCJNNDNLPBNP-JPYJTQIMSA-N 0 1 472.546 -1.915 20 0 JAADMN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]12 ZINC001159991625 1067310659 /nfs/dbraw/zinc/31/06/59/1067310659.db2.gz KWXCJNNDNLPBNP-MBSDFSHPSA-N 0 1 472.546 -1.915 20 0 JAADMN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]12 ZINC001159991629 1067310430 /nfs/dbraw/zinc/31/04/30/1067310430.db2.gz KWXCJNNDNLPBNP-WZONZLPQSA-N 0 1 472.546 -1.915 20 0 JAADMN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@H]2C1 ZINC001159998912 1067310312 /nfs/dbraw/zinc/31/03/12/1067310312.db2.gz OOPVFGAZONLJTR-UBDQQSCGSA-N 0 1 454.549 -1.379 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159998921 1067310522 /nfs/dbraw/zinc/31/05/22/1067310522.db2.gz OWNRJJNDKANOSV-UHFFFAOYSA-N 0 1 487.561 -2.713 20 0 JAADMN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C[C@H]2C1 ZINC001160007410 1067310759 /nfs/dbraw/zinc/31/07/59/1067310759.db2.gz JPYWGCWPMIQXRR-NEPXVJNWSA-N 0 1 483.591 -1.674 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160007754 1067310344 /nfs/dbraw/zinc/31/03/44/1067310344.db2.gz OAWODXSTBSWYFQ-UHFFFAOYSA-N 0 1 472.506 -2.103 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001160007940 1067310834 /nfs/dbraw/zinc/31/08/34/1067310834.db2.gz RFSORLXGTIUSRQ-FZKCQIBNSA-N 0 1 458.585 -1.973 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160016154 1067310857 /nfs/dbraw/zinc/31/08/57/1067310857.db2.gz HNBUGWDUXMNAHB-FNFWKMNBSA-N 0 1 481.535 -3.061 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160017741 1067310886 /nfs/dbraw/zinc/31/08/86/1067310886.db2.gz BSVTXNBZXWDAQK-UHFFFAOYSA-N 0 1 489.533 -2.891 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001160026041 1067311113 /nfs/dbraw/zinc/31/11/13/1067311113.db2.gz IDFGTAWPPQOMPA-YESZJQIVSA-N 0 1 489.533 -3.018 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160027167 1067311140 /nfs/dbraw/zinc/31/11/40/1067311140.db2.gz OSDHEBYPKVDOFJ-KFWWJZLASA-N 0 1 452.512 -2.935 20 0 JAADMN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]21 ZINC001160032902 1067311400 /nfs/dbraw/zinc/31/14/00/1067311400.db2.gz ZPSGGCXLBLSORN-CVEARBPZSA-N 0 1 467.530 -1.508 20 0 JAADMN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001160034735 1067311522 /nfs/dbraw/zinc/31/15/22/1067311522.db2.gz DNRARAUFBZXEPF-UHFFFAOYSA-N 0 1 482.545 -1.559 20 0 JAADMN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1 ZINC001160041694 1067311288 /nfs/dbraw/zinc/31/12/88/1067311288.db2.gz NHSIZNYOBADVGJ-BFUOFWGJSA-N 0 1 455.516 -3.285 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001160050195 1067311430 /nfs/dbraw/zinc/31/14/30/1067311430.db2.gz TYHQQUVUHMSZPH-KGWSRGFLSA-N 0 1 452.556 -1.138 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001160076380 1067311557 /nfs/dbraw/zinc/31/15/57/1067311557.db2.gz BDRAOUZILUYENJ-FQEVSTJZSA-N 0 1 499.494 -1.408 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001160076386 1067311172 /nfs/dbraw/zinc/31/11/72/1067311172.db2.gz BDRAOUZILUYENJ-HXUWFJFHSA-N 0 1 499.494 -1.408 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160076570 1067311262 /nfs/dbraw/zinc/31/12/62/1067311262.db2.gz LRGKNGXHJHQSEF-CKFHNAJUSA-N 0 1 466.470 -2.335 20 0 JAADMN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2COC[C@H]12 ZINC001160084989 1067311842 /nfs/dbraw/zinc/31/18/42/1067311842.db2.gz HJJXAJRLOAHVFZ-UMVBOHGHSA-N 0 1 463.495 -3.712 20 0 JAADMN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]2COC[C@H]12 ZINC001160085043 1067312158 /nfs/dbraw/zinc/31/21/58/1067312158.db2.gz IFUKSHHYJVMWAZ-KYHREEPGSA-N 0 1 485.541 -1.267 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160085563 1067312235 /nfs/dbraw/zinc/31/22/35/1067312235.db2.gz LWLUBQMMEYOHFT-XFUTXVRSSA-N 0 1 489.577 -1.532 20 0 JAADMN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC[C@@H]32)cn1 ZINC001160085588 1067311820 /nfs/dbraw/zinc/31/18/20/1067311820.db2.gz MFGWKTSPXPCFMZ-HRCADAONSA-N 0 1 492.537 -3.679 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086265 1067312212 /nfs/dbraw/zinc/31/22/12/1067312212.db2.gz RYQNREMXPKODFX-BTYIYWSLSA-N 0 1 459.507 -2.756 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086277 1067311958 /nfs/dbraw/zinc/31/19/58/1067311958.db2.gz RYQNREMXPKODFX-QVKFZJNVSA-N 0 1 459.507 -2.756 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086280 1067311987 /nfs/dbraw/zinc/31/19/87/1067311987.db2.gz RYQNREMXPKODFX-VFNWGFHPSA-N 0 1 459.507 -2.756 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086283 1067311873 /nfs/dbraw/zinc/31/18/73/1067311873.db2.gz RYQNREMXPKODFX-YCRPNKLZSA-N 0 1 459.507 -2.756 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@@H](NC(=O)c2cccn2C)[C@H]2COC[C@H]21 ZINC001160086323 1067312131 /nfs/dbraw/zinc/31/21/31/1067312131.db2.gz WGTFGOGQPQIGES-CZIKEKGBSA-N 0 1 460.535 -1.565 20 0 JAADMN Cc1ccc(N2C[C@@]3(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)CC2=O)s1 ZINC001160094688 1067312708 /nfs/dbraw/zinc/31/27/08/1067312708.db2.gz QRMPSJUTDDOLFR-FQEVSTJZSA-N 0 1 464.548 -1.681 20 0 JAADMN Cc1ccc(N2C[C@]3(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)CC2=O)s1 ZINC001160094689 1067312380 /nfs/dbraw/zinc/31/23/80/1067312380.db2.gz QRMPSJUTDDOLFR-HXUWFJFHSA-N 0 1 464.548 -1.681 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160101808 1067312565 /nfs/dbraw/zinc/31/25/65/1067312565.db2.gz IGJATGZVBRKYNC-BZSNNMDCSA-N 0 1 479.578 -1.303 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160101816 1067312636 /nfs/dbraw/zinc/31/26/36/1067312636.db2.gz IGJATGZVBRKYNC-KSZLIROESA-N 0 1 479.578 -1.303 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160105763 1067312483 /nfs/dbraw/zinc/31/24/83/1067312483.db2.gz UACMPCWPQYBIDE-HNNXBMFYSA-N 0 1 482.538 -3.450 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160105767 1067312532 /nfs/dbraw/zinc/31/25/32/1067312532.db2.gz UACMPCWPQYBIDE-OAHLLOKOSA-N 0 1 482.538 -3.450 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160109407 1067313299 /nfs/dbraw/zinc/31/32/99/1067313299.db2.gz DMHYKOKIDAZZAM-HNNXBMFYSA-N 0 1 459.507 -2.646 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160109413 1067313475 /nfs/dbraw/zinc/31/34/75/1067313475.db2.gz DMHYKOKIDAZZAM-OAHLLOKOSA-N 0 1 459.507 -2.646 20 0 JAADMN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CN)O1 ZINC001160137607 1067313390 /nfs/dbraw/zinc/31/33/90/1067313390.db2.gz HFXMHYOGMKRXAB-ZACQAIPSSA-N 0 1 489.533 -2.894 20 0 JAADMN CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001160148515 1067313182 /nfs/dbraw/zinc/31/31/82/1067313182.db2.gz USNMVKZFEDVPHY-UHFFFAOYSA-N 0 1 481.579 -2.237 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001160157480 1067313362 /nfs/dbraw/zinc/31/33/62/1067313362.db2.gz WUZMIBDTKVCYIH-UHFFFAOYSA-N 0 1 458.519 -2.225 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160180207 1067313429 /nfs/dbraw/zinc/31/34/29/1067313429.db2.gz QTQGZNVKWPKKAC-UHFFFAOYSA-N 0 1 459.463 -2.159 20 0 JAADMN CC(C)C(=O)N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192604 1067313556 /nfs/dbraw/zinc/31/35/56/1067313556.db2.gz ZMLFSIJDHSPQNS-NRFANRHFSA-N 0 1 481.554 -3.341 20 0 JAADMN CC(C)C(=O)N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@]2(CCCC(=O)N2)C1 ZINC001160192605 1067314032 /nfs/dbraw/zinc/31/40/32/1067314032.db2.gz ZMLFSIJDHSPQNS-OAQYLSRUSA-N 0 1 481.554 -3.341 20 0 JAADMN CC(C)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192993 1067314012 /nfs/dbraw/zinc/31/40/12/1067314012.db2.gz LETMQLROPMKELI-HKARXFIJSA-N 0 1 478.594 -1.194 20 0 JAADMN CC(C)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)C[C@]2(CCCC(=O)N2)C1 ZINC001160193102 1067314125 /nfs/dbraw/zinc/31/41/25/1067314125.db2.gz LETMQLROPMKELI-QQMNAOGKSA-N 0 1 478.594 -1.194 20 0 JAADMN CS(=O)(=O)N1C[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]2c2ccccc21 ZINC001160202863 1067314214 /nfs/dbraw/zinc/31/42/14/1067314214.db2.gz NQBNOIBKZYGISA-DZGCQCFKSA-N 0 1 480.547 -2.685 20 0 JAADMN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CCCO[C@@H]21 ZINC001160210674 1067313861 /nfs/dbraw/zinc/31/38/61/1067313861.db2.gz FWPOPQWINZZMKL-VEVIJQCQSA-N 0 1 478.510 -3.784 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001160211238 1067314102 /nfs/dbraw/zinc/31/41/02/1067314102.db2.gz HUNHPLNZQFIIPR-RNGZQALNSA-N 0 1 475.550 -1.637 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001160212805 1067313992 /nfs/dbraw/zinc/31/39/92/1067313992.db2.gz REMSZIFDHNPXDX-INIZCTEOSA-N 0 1 464.567 -1.771 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001160212806 1067313831 /nfs/dbraw/zinc/31/38/31/1067313831.db2.gz REMSZIFDHNPXDX-MRXNPFEDSA-N 0 1 464.567 -1.771 20 0 JAADMN Cn1cc(N2C[C@@H]3CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C[C@@H]3C2=O)cn1 ZINC001160219566 1067313783 /nfs/dbraw/zinc/31/37/83/1067313783.db2.gz ZKKZCSYGIUOUFN-QZHFEQFPSA-N 0 1 456.503 -1.406 20 0 JAADMN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)O1 ZINC001160227104 1067313928 /nfs/dbraw/zinc/31/39/28/1067313928.db2.gz ICTAKFPCSWRBJH-YCRPNKLZSA-N 0 1 468.555 -2.394 20 0 JAADMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]21 ZINC001160228475 1067314185 /nfs/dbraw/zinc/31/41/85/1067314185.db2.gz SQJJMIMXXPIVKB-QYWGDWMGSA-N 0 1 473.534 -2.138 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160230261 1067314155 /nfs/dbraw/zinc/31/41/55/1067314155.db2.gz ITTBUOSHMSIHAZ-IBGZPJMESA-N 0 1 482.492 -2.152 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160230262 1067314059 /nfs/dbraw/zinc/31/40/59/1067314059.db2.gz ITTBUOSHMSIHAZ-LJQANCHMSA-N 0 1 482.492 -2.152 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160235193 1067313973 /nfs/dbraw/zinc/31/39/73/1067313973.db2.gz LDRXEVQVSQMMQG-KRWDZBQOSA-N 0 1 486.533 -2.239 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160235194 1067313740 /nfs/dbraw/zinc/31/37/40/1067313740.db2.gz LDRXEVQVSQMMQG-QGZVFWFLSA-N 0 1 486.533 -2.239 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001160239618 1067314079 /nfs/dbraw/zinc/31/40/79/1067314079.db2.gz CCYAOPLWVWBAOL-HTAPYJJXSA-N 0 1 467.567 -1.349 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)n1c([C@@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160256948 1067313897 /nfs/dbraw/zinc/31/38/97/1067313897.db2.gz JRQIPZIAXNZRHS-BDKXHVGHSA-N 0 1 488.505 -2.815 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)n1c([C@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160256959 1067314243 /nfs/dbraw/zinc/31/42/43/1067314243.db2.gz JRQIPZIAXNZRHS-DAWOQIAZSA-N 0 1 488.505 -2.815 20 0 JAADMN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001160265597 1067314480 /nfs/dbraw/zinc/31/44/80/1067314480.db2.gz ACSGVHHDXLDPEH-UHFFFAOYSA-N 0 1 477.522 -3.829 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001160266411 1067314740 /nfs/dbraw/zinc/31/47/40/1067314740.db2.gz KGOJEWFRIQVSLK-YJBOKZPZSA-N 0 1 474.562 -1.682 20 0 JAADMN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001160266819 1067314896 /nfs/dbraw/zinc/31/48/96/1067314896.db2.gz NNNATAAPSHIESA-PMACEKPBSA-N 0 1 499.568 -1.384 20 0 JAADMN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001160271094 1067314678 /nfs/dbraw/zinc/31/46/78/1067314678.db2.gz LKVCNOMXOMHOLZ-HNNXBMFYSA-N 0 1 468.555 -2.583 20 0 JAADMN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001160271095 1067314451 /nfs/dbraw/zinc/31/44/51/1067314451.db2.gz LKVCNOMXOMHOLZ-OAHLLOKOSA-N 0 1 468.555 -2.583 20 0 JAADMN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001160274259 1067314637 /nfs/dbraw/zinc/31/46/37/1067314637.db2.gz MSHUKXIKRTVZME-KRWDZBQOSA-N 0 1 472.546 -1.699 20 0 JAADMN CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001160274260 1067314840 /nfs/dbraw/zinc/31/48/40/1067314840.db2.gz MSHUKXIKRTVZME-QGZVFWFLSA-N 0 1 472.546 -1.699 20 0 JAADMN CC(C)CN1c2ccccc2[C@]2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1=O ZINC001160286834 1067314507 /nfs/dbraw/zinc/31/45/07/1067314507.db2.gz RWCZZYCJNPJXHX-HSZRJFAPSA-N 0 1 472.546 -1.533 20 0 JAADMN CC(C)CN1c2ccccc2[C@@]2(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2)C1=O ZINC001160286835 1067314991 /nfs/dbraw/zinc/31/49/91/1067314991.db2.gz RWCZZYCJNPJXHX-QHCPKHFHSA-N 0 1 472.546 -1.533 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160312772 1067315566 /nfs/dbraw/zinc/31/55/66/1067315566.db2.gz WWZSOJCMVHRTKS-JOCHJYFZSA-N 0 1 488.501 -2.322 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160312778 1067315600 /nfs/dbraw/zinc/31/56/00/1067315600.db2.gz WWZSOJCMVHRTKS-QFIPXVFZSA-N 0 1 488.501 -2.322 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC001160313732 1067315444 /nfs/dbraw/zinc/31/54/44/1067315444.db2.gz JTWOVOMCSMXXMT-UHFFFAOYSA-N 0 1 472.546 -1.523 20 0 JAADMN CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001160324162 1067315694 /nfs/dbraw/zinc/31/56/94/1067315694.db2.gz RDIPMBNMKUKFFX-AWEZNQCLSA-N 0 1 464.527 -2.470 20 0 JAADMN CCN(CC)c1ccnc([C@H]2COCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001160324163 1067315420 /nfs/dbraw/zinc/31/54/20/1067315420.db2.gz RDIPMBNMKUKFFX-CQSZACIVSA-N 0 1 464.527 -2.470 20 0 JAADMN COCCO[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]1Cc1cnn(C)c1 ZINC001160324611 1067315356 /nfs/dbraw/zinc/31/53/56/1067315356.db2.gz AHVAGTQUEDBAOP-HOTGVXAUSA-N 0 1 467.527 -3.098 20 0 JAADMN Cc1nc(CN2CCO[C@@H]3CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC[C@@H]3C2)cs1 ZINC001160334903 1067315220 /nfs/dbraw/zinc/31/52/20/1067315220.db2.gz IBDCGGIPOVOIIR-NVXWUHKLSA-N 0 1 495.606 -2.192 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160344034 1067315540 /nfs/dbraw/zinc/31/55/40/1067315540.db2.gz PGDZDRZGSNUUCM-BQFCYCMXSA-N 0 1 497.560 -1.484 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160344035 1067315387 /nfs/dbraw/zinc/31/53/87/1067315387.db2.gz PGDZDRZGSNUUCM-JZXOWHBKSA-N 0 1 497.560 -1.484 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352345 1067316105 /nfs/dbraw/zinc/31/61/05/1067316105.db2.gz CXMIFLNBSUUJDY-HOIFWPIMSA-N 0 1 475.550 -1.635 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352351 1067315960 /nfs/dbraw/zinc/31/59/60/1067315960.db2.gz CXMIFLNBSUUJDY-PNLZDCPESA-N 0 1 475.550 -1.635 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352624 1067316016 /nfs/dbraw/zinc/31/60/16/1067316016.db2.gz HSIWAHXUAWTKPU-FQEVSTJZSA-N 0 1 478.510 -3.782 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352625 1067316287 /nfs/dbraw/zinc/31/62/87/1067316287.db2.gz HSIWAHXUAWTKPU-HXUWFJFHSA-N 0 1 478.510 -3.782 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160352947 1067316144 /nfs/dbraw/zinc/31/61/44/1067316144.db2.gz KOXDTOGLIARAQO-UHFFFAOYSA-N 0 1 472.462 -2.486 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160358191 1067315877 /nfs/dbraw/zinc/31/58/77/1067315877.db2.gz NKNSEAJKZWIRRF-NRFANRHFSA-N 0 1 478.506 -2.580 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160358195 1067315985 /nfs/dbraw/zinc/31/59/85/1067315985.db2.gz NKNSEAJKZWIRRF-OAQYLSRUSA-N 0 1 478.506 -2.580 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001160369945 1067315908 /nfs/dbraw/zinc/31/59/08/1067315908.db2.gz ALZGLJRHNSEPTE-RBUKOAKNSA-N 0 1 459.547 -1.068 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001160380295 1067315843 /nfs/dbraw/zinc/31/58/43/1067315843.db2.gz CRAJRTWZSAOKJY-KBPBESRZSA-N 0 1 464.527 -2.321 20 0 JAADMN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC3)cs1 ZINC001160380549 1067316174 /nfs/dbraw/zinc/31/61/74/1067316174.db2.gz UFSFJVFXWHWFAR-INIZCTEOSA-N 0 1 496.590 -1.574 20 0 JAADMN Cc1nc(CO[C@H]2COC3(C2)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC3)cs1 ZINC001160380552 1067315933 /nfs/dbraw/zinc/31/59/33/1067315933.db2.gz UFSFJVFXWHWFAR-MRXNPFEDSA-N 0 1 496.590 -1.574 20 0 JAADMN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C2 ZINC001160381055 1067317028 /nfs/dbraw/zinc/31/70/28/1067317028.db2.gz OCYBBJHRWYEXRZ-IRXDYDNUSA-N 0 1 489.533 -2.022 20 0 JAADMN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001160381162 1067316556 /nfs/dbraw/zinc/31/65/56/1067316556.db2.gz ROSCWGCEJYZDPI-UHFFFAOYSA-N 0 1 467.487 -4.468 20 0 JAADMN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001160382187 1067316849 /nfs/dbraw/zinc/31/68/49/1067316849.db2.gz KGKDVWMMAXPOIV-UHFFFAOYSA-N 0 1 451.532 -2.842 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001160388631 1067316887 /nfs/dbraw/zinc/31/68/87/1067316887.db2.gz NKHSXQQDLNTMHP-HRCADAONSA-N 0 1 482.538 -2.899 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001160398702 1067316776 /nfs/dbraw/zinc/31/67/76/1067316776.db2.gz LWTUTEPYFYWUCQ-QKRVRJICSA-N 0 1 475.550 -1.637 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160399016 1067317001 /nfs/dbraw/zinc/31/70/01/1067317001.db2.gz MHIVKMLHVVRNGC-UHFFFAOYSA-N 0 1 490.521 -3.383 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160405725 1067317052 /nfs/dbraw/zinc/31/70/52/1067317052.db2.gz YRWZBSDLLDWMBY-WMZOPIPTSA-N 0 1 487.561 -1.235 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001160406646 1067317722 /nfs/dbraw/zinc/31/77/22/1067317722.db2.gz VUSPBVMKLDXJAF-RDJZCZTQSA-N 0 1 499.576 -1.614 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414956 1067317245 /nfs/dbraw/zinc/31/72/45/1067317245.db2.gz IGCWFKQXYFEDPB-FQEVSTJZSA-N 0 1 460.495 -2.871 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414957 1067317583 /nfs/dbraw/zinc/31/75/83/1067317583.db2.gz IGCWFKQXYFEDPB-HXUWFJFHSA-N 0 1 460.495 -2.871 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160415575 1067317400 /nfs/dbraw/zinc/31/74/00/1067317400.db2.gz ZPRUGIJKMXDPBC-GCKMJXCFSA-N 0 1 479.538 -2.645 20 0 JAADMN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001160417984 1067317521 /nfs/dbraw/zinc/31/75/21/1067317521.db2.gz HOAVRYNKYCUOGX-HOIFWPIMSA-N 0 1 467.567 -1.447 20 0 JAADMN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001160417987 1067317373 /nfs/dbraw/zinc/31/73/73/1067317373.db2.gz HOAVRYNKYCUOGX-PNLZDCPESA-N 0 1 467.567 -1.447 20 0 JAADMN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001160419170 1067317904 /nfs/dbraw/zinc/31/79/04/1067317904.db2.gz PVVXAKLFTJUTBQ-FQEVSTJZSA-N 0 1 470.527 -3.594 20 0 JAADMN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001160419171 1067317424 /nfs/dbraw/zinc/31/74/24/1067317424.db2.gz PVVXAKLFTJUTBQ-HXUWFJFHSA-N 0 1 470.527 -3.594 20 0 JAADMN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C2 ZINC001160419960 1067317746 /nfs/dbraw/zinc/31/77/46/1067317746.db2.gz WIACJKKBSUZYJJ-MZLICYQSSA-N 0 1 492.573 -1.149 20 0 JAADMN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C2 ZINC001160419961 1067317452 /nfs/dbraw/zinc/31/74/52/1067317452.db2.gz WIACJKKBSUZYJJ-SKPFHBQLSA-N 0 1 492.573 -1.149 20 0 JAADMN COc1cc(OC)nc(CN2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)n1 ZINC001160429066 1067317887 /nfs/dbraw/zinc/31/78/87/1067317887.db2.gz PQECSAMEAOTDAH-UHFFFAOYSA-N 0 1 466.499 -3.555 20 0 JAADMN COc1cc(OC)nc(CN2CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)n1 ZINC001160431686 1067317656 /nfs/dbraw/zinc/31/76/56/1067317656.db2.gz AGFBURIAUVSABM-ROUUACIJSA-N 0 1 488.545 -1.109 20 0 JAADMN COc1cc(OC)nc(CN2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)CC2)n1 ZINC001160432062 1067318214 /nfs/dbraw/zinc/31/82/14/1067318214.db2.gz NDHPVJVIDIQAEQ-GJZGRUSLSA-N 0 1 463.539 -1.408 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001160434119 1067318518 /nfs/dbraw/zinc/31/85/18/1067318518.db2.gz FAKGBVHLPIVJDD-UHFFFAOYSA-N 0 1 458.479 -1.855 20 0 JAADMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)cc1 ZINC001160437494 1067318118 /nfs/dbraw/zinc/31/81/18/1067318118.db2.gz YBNJVNHHXHHUCO-UHFFFAOYSA-N 0 1 468.536 -2.865 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160469388 1067318391 /nfs/dbraw/zinc/31/83/91/1067318391.db2.gz CHXLLQPJLAGDIH-INIZCTEOSA-N 0 1 476.490 -3.196 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160469392 1067318189 /nfs/dbraw/zinc/31/81/89/1067318189.db2.gz CHXLLQPJLAGDIH-MRXNPFEDSA-N 0 1 476.490 -3.196 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160471042 1067318300 /nfs/dbraw/zinc/31/83/00/1067318300.db2.gz QNMFTTDHRVQJII-BXWFABGCSA-N 0 1 473.530 -1.048 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160471043 1067318555 /nfs/dbraw/zinc/31/85/55/1067318555.db2.gz QNMFTTDHRVQJII-TXPKVOOTSA-N 0 1 473.530 -1.048 20 0 JAADMN CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN)cn1 ZINC001160489531 1067318267 /nfs/dbraw/zinc/31/82/67/1067318267.db2.gz BSMZKUUEBRRTLU-UHFFFAOYSA-N 0 1 475.554 -1.911 20 0 JAADMN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160495379 1067318158 /nfs/dbraw/zinc/31/81/58/1067318158.db2.gz XRPAJTKSDHWQIT-AYMQEEERSA-N 0 1 455.489 -1.645 20 0 JAADMN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160495380 1067318238 /nfs/dbraw/zinc/31/82/38/1067318238.db2.gz XRPAJTKSDHWQIT-SZOQZIPDSA-N 0 1 455.489 -1.645 20 0 JAADMN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160495381 1067318667 /nfs/dbraw/zinc/31/86/67/1067318667.db2.gz XRPAJTKSDHWQIT-WSMBLCCSSA-N 0 1 455.489 -1.645 20 0 JAADMN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160495382 1067318497 /nfs/dbraw/zinc/31/84/97/1067318497.db2.gz XRPAJTKSDHWQIT-ZJOBFFGXSA-N 0 1 455.489 -1.645 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC001160538074 1067319286 /nfs/dbraw/zinc/31/92/86/1067319286.db2.gz SPAOKFGKBHFOFB-UHFFFAOYSA-N 0 1 457.491 -2.240 20 0 JAADMN COC(=O)c1ccc(CN2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)cc1 ZINC001160569867 1067319186 /nfs/dbraw/zinc/31/91/86/1067319186.db2.gz WHFXHVMCRUSTFP-UHFFFAOYSA-N 0 1 462.507 -2.575 20 0 JAADMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160584670 1067319122 /nfs/dbraw/zinc/31/91/22/1067319122.db2.gz VABXBCDQRPJJBA-XHSDSOJGSA-N 0 1 466.583 -1.384 20 0 JAADMN CS(=O)(=O)CCCN1CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC001160585423 1067319359 /nfs/dbraw/zinc/31/93/59/1067319359.db2.gz KJUUVTWTMMNGDI-ROUUACIJSA-N 0 1 456.565 -1.682 20 0 JAADMN CC(C)(C)c1ccc(CN2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)cc1 ZINC001160595452 1067318860 /nfs/dbraw/zinc/31/88/60/1067318860.db2.gz PAIBOZJMJWWOJF-UHFFFAOYSA-N 0 1 460.579 -1.064 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001160602204 1067319154 /nfs/dbraw/zinc/31/91/54/1067319154.db2.gz LOOMWZQIIQTJCQ-UHFFFAOYSA-N 0 1 473.456 -1.554 20 0 JAADMN CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160615553 1067319047 /nfs/dbraw/zinc/31/90/47/1067319047.db2.gz GCBDQQHYGVPAND-INIZCTEOSA-N 0 1 460.535 -1.838 20 0 JAADMN Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160617424 1067319078 /nfs/dbraw/zinc/31/90/78/1067319078.db2.gz VNNAEKBHXSGMBA-XYPWUTKMSA-N 0 1 462.555 -1.288 20 0 JAADMN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(=O)NCC(N)=O ZINC001160626759 1067319389 /nfs/dbraw/zinc/31/93/89/1067319389.db2.gz ASLYAJFVNFIENI-BZSNNMDCSA-N 0 1 474.562 -1.221 20 0 JAADMN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)NCC(N)=O ZINC001160626803 1067319616 /nfs/dbraw/zinc/31/96/16/1067319616.db2.gz BGYOJINLALEQHQ-FHWLQOOXSA-N 0 1 488.589 -1.204 20 0 JAADMN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(N)=O ZINC001160626925 1067319706 /nfs/dbraw/zinc/31/97/06/1067319706.db2.gz CQWQRYDEXNAGHB-JYJNAYRXSA-N 0 1 454.572 -1.401 20 0 JAADMN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(N)=O ZINC001160627546 1067319834 /nfs/dbraw/zinc/31/98/34/1067319834.db2.gz DPIZKMCIFCVFTM-FHWLQOOXSA-N 0 1 488.589 -1.204 20 0 JAADMN CC(=O)NCSC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160629500 1067320090 /nfs/dbraw/zinc/32/00/90/1067320090.db2.gz SPXXKQVFJNDVFD-KKUMJFAQSA-N 0 1 458.585 -1.736 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001160651386 1067320650 /nfs/dbraw/zinc/32/06/50/1067320650.db2.gz METWFGOQAOJLGR-IAGOWNOFSA-N 0 1 474.518 -1.694 20 0 JAADMN CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001160751405 1067321420 /nfs/dbraw/zinc/32/14/20/1067321420.db2.gz VMUHSUNSHBOGBR-UHFFFAOYSA-N 0 1 490.565 -2.481 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160765936 1067321672 /nfs/dbraw/zinc/32/16/72/1067321672.db2.gz FDVDGDWJUPZJGN-GASCZTMLSA-N 0 1 458.475 -3.063 20 0 JAADMN CCOC(=O)[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]1c1ccccc1 ZINC001160766244 1067321259 /nfs/dbraw/zinc/32/12/59/1067321259.db2.gz OILURURIIHQMHQ-IRXDYDNUSA-N 0 1 461.519 -1.511 20 0 JAADMN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1)C2 ZINC001160778262 1067321707 /nfs/dbraw/zinc/32/17/07/1067321707.db2.gz NWOZQINWSDPSMW-WAIKUNEKSA-N 0 1 473.530 -1.585 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160838736 1067321600 /nfs/dbraw/zinc/32/16/00/1067321600.db2.gz LTJXAAXIKZOKGU-UHFFFAOYSA-N 0 1 461.527 -2.967 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2c(Br)ccc(N)c2C1 ZINC001160845333 1067321386 /nfs/dbraw/zinc/32/13/86/1067321386.db2.gz CHFLFGWLRFAXMZ-UHFFFAOYSA-N 0 1 455.313 -1.777 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001160854829 1067321291 /nfs/dbraw/zinc/32/12/91/1067321291.db2.gz FWGNKXURZACLRE-UHFFFAOYSA-N 0 1 451.911 -1.005 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2F)CC1 ZINC001160865744 1067321574 /nfs/dbraw/zinc/32/15/74/1067321574.db2.gz MCMADWUMBWDNAC-UHFFFAOYSA-N 0 1 476.431 -1.200 20 0 JAADMN CN(C(=O)CN1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1)c1ccccc1 ZINC001160893644 1067322397 /nfs/dbraw/zinc/32/23/97/1067322397.db2.gz HBETWAPMNXJJGF-UHFFFAOYSA-N 0 1 461.523 -2.899 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160894691 1067322282 /nfs/dbraw/zinc/32/22/82/1067322282.db2.gz OHWWYBAXMFQDPL-UHFFFAOYSA-N 0 1 475.550 -3.203 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160894863 1067322254 /nfs/dbraw/zinc/32/22/54/1067322254.db2.gz QERBCMZTBCUGCU-ICSRJNTNSA-N 0 1 472.590 -1.056 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160905498 1067322512 /nfs/dbraw/zinc/32/25/12/1067322512.db2.gz NSRHLKPAXRDXID-UHFFFAOYSA-N 0 1 458.479 -2.738 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160917147 1067321920 /nfs/dbraw/zinc/32/19/20/1067321920.db2.gz DYTFTYIUKRWGJE-UHFFFAOYSA-N 0 1 477.497 -2.612 20 0 JAADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160918444 1067321986 /nfs/dbraw/zinc/32/19/86/1067321986.db2.gz JPEOBYRXMLCUMJ-HRAATJIYSA-N 0 1 461.519 -1.368 20 0 JAADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160918476 1067322018 /nfs/dbraw/zinc/32/20/18/1067322018.db2.gz JPEOBYRXMLCUMJ-IERDGZPVSA-N 0 1 461.519 -1.368 20 0 JAADMN COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160918477 1067322185 /nfs/dbraw/zinc/32/21/85/1067322185.db2.gz JPEOBYRXMLCUMJ-IIBYNOLFSA-N 0 1 461.519 -1.368 20 0 JAADMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160918478 1067322046 /nfs/dbraw/zinc/32/20/46/1067322046.db2.gz JPEOBYRXMLCUMJ-KKSFZXQISA-N 0 1 461.519 -1.368 20 0 JAADMN COCCOc1cccc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)c1 ZINC001160944047 1067322334 /nfs/dbraw/zinc/32/23/34/1067322334.db2.gz VWOVWRDQJMSYAL-UHFFFAOYSA-N 0 1 464.523 -2.332 20 0 JAADMN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001160962582 1067322165 /nfs/dbraw/zinc/32/21/65/1067322165.db2.gz CZKPXNBAGRDGPW-ZSDSOXJFSA-N 0 1 487.598 -1.086 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161038052 1067323281 /nfs/dbraw/zinc/32/32/81/1067323281.db2.gz CYPMBYQMUCPNBU-UHFFFAOYSA-N 0 1 463.466 -1.541 20 0 JAADMN CSc1nc(Cl)cc(N2CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)n1 ZINC001161055097 1067322730 /nfs/dbraw/zinc/32/27/30/1067322730.db2.gz VMQBFHVGWGDWIP-UHFFFAOYSA-N 0 1 486.986 -1.802 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066897 1067323729 /nfs/dbraw/zinc/32/37/29/1067323729.db2.gz DFRIWZTWJMRJMC-KKUMJFAQSA-N 0 1 452.537 -1.585 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066898 1067323553 /nfs/dbraw/zinc/32/35/53/1067323553.db2.gz DFRIWZTWJMRJMC-ZNMIVQPWSA-N 0 1 452.537 -1.585 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068419 1067323802 /nfs/dbraw/zinc/32/38/02/1067323802.db2.gz QIXWSVDOHRVPOT-GFCCVEGCSA-N 0 1 455.497 -3.732 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068420 1067323521 /nfs/dbraw/zinc/32/35/21/1067323521.db2.gz QIXWSVDOHRVPOT-LBPRGKRZSA-N 0 1 455.497 -3.732 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068786 1067323461 /nfs/dbraw/zinc/32/34/61/1067323461.db2.gz WWPYYOQXSKEXLV-NJAFHUGGSA-N 0 1 477.543 -1.287 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068868 1067323865 /nfs/dbraw/zinc/32/38/65/1067323865.db2.gz WWPYYOQXSKEXLV-SZMVWBNQSA-N 0 1 477.543 -1.287 20 0 JAADMN COC(=O)[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]1c1ccc(F)cc1 ZINC001161085485 1067323670 /nfs/dbraw/zinc/32/36/70/1067323670.db2.gz ZDLQAYFYWJLICQ-CABCVRRESA-N 0 1 451.455 -2.152 20 0 JAADMN CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)cc1 ZINC001161099760 1067323633 /nfs/dbraw/zinc/32/36/33/1067323633.db2.gz WJLVQYZCKRQWBX-UHFFFAOYSA-N 0 1 490.561 -1.402 20 0 JAADMN CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161130380 1067324014 /nfs/dbraw/zinc/32/40/14/1067324014.db2.gz HOKBBQMMIVINDA-DLBZAZTESA-N 0 1 461.519 -1.021 20 0 JAADMN CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161130385 1067324314 /nfs/dbraw/zinc/32/43/14/1067324314.db2.gz HOKBBQMMIVINDA-IAGOWNOFSA-N 0 1 461.519 -1.021 20 0 JAADMN CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161130389 1067324149 /nfs/dbraw/zinc/32/41/49/1067324149.db2.gz HOKBBQMMIVINDA-IRXDYDNUSA-N 0 1 461.519 -1.021 20 0 JAADMN CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161130394 1067324082 /nfs/dbraw/zinc/32/40/82/1067324082.db2.gz HOKBBQMMIVINDA-SJORKVTESA-N 0 1 461.519 -1.021 20 0 JAADMN COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161145980 1067324809 /nfs/dbraw/zinc/32/48/09/1067324809.db2.gz KLMNIKQHCQNZRX-KRWDZBQOSA-N 0 1 476.534 -2.430 20 0 JAADMN COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001161145982 1067324746 /nfs/dbraw/zinc/32/47/46/1067324746.db2.gz KLMNIKQHCQNZRX-QGZVFWFLSA-N 0 1 476.534 -2.430 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001161153884 1067324958 /nfs/dbraw/zinc/32/49/58/1067324958.db2.gz QUVONKVTMPSPSH-RYUDHWBXSA-N 0 1 469.524 -2.054 20 0 JAADMN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001161170141 1067325238 /nfs/dbraw/zinc/32/52/38/1067325238.db2.gz JRWCCJYBVSTANL-QWHCGFSZSA-N 0 1 451.484 -2.727 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161252790 1067325406 /nfs/dbraw/zinc/32/54/06/1067325406.db2.gz OMXRQWIZPVAMQT-UHFFFAOYSA-N 0 1 450.471 -2.146 20 0 JAADMN COc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)cc1 ZINC001161268096 1067325377 /nfs/dbraw/zinc/32/53/77/1067325377.db2.gz CVSSLYKXLQXXTF-UHFFFAOYSA-N 0 1 498.562 -2.728 20 0 JAADMN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269818 1067325535 /nfs/dbraw/zinc/32/55/35/1067325535.db2.gz MPBIQKLZPQPFSX-OALUTQOASA-N 0 1 463.535 -1.228 20 0 JAADMN CCn1c2ccccc2nc1N1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001161295890 1067325897 /nfs/dbraw/zinc/32/58/97/1067325897.db2.gz DIBCQUMZQBHVGC-UHFFFAOYSA-N 0 1 458.523 -1.988 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001161318826 1067326353 /nfs/dbraw/zinc/32/63/53/1067326353.db2.gz ZZIVSFXDGRECAC-CYBMUJFWSA-N 0 1 462.482 -1.920 20 0 JAADMN CS(=O)(=O)c1cccc(C2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)c1 ZINC001161367403 1067326187 /nfs/dbraw/zinc/32/61/87/1067326187.db2.gz JWSKEUYIBVPRIS-UHFFFAOYSA-N 0 1 467.548 -1.897 20 0 JAADMN CCCNC(=O)c1ccccc1OC1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001161409633 1067326004 /nfs/dbraw/zinc/32/60/04/1067326004.db2.gz NRRQNNCZDGCNRE-UHFFFAOYSA-N 0 1 490.561 -1.497 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161459522 1067326072 /nfs/dbraw/zinc/32/60/72/1067326072.db2.gz NOVWBDBXYNOUHH-UHFFFAOYSA-N 0 1 468.518 -1.901 20 0 JAADMN CC(=O)N1CC2(C1)CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C[C@H]2C(=O)N(C)C ZINC001161506500 1067326652 /nfs/dbraw/zinc/32/66/52/1067326652.db2.gz JISBANOMTGAUBH-FHWLQOOXSA-N 0 1 475.546 -1.866 20 0 JAADMN CC(=O)N1CC2(C1)CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C[C@@H]2C(=O)N(C)C ZINC001161506501 1067327047 /nfs/dbraw/zinc/32/70/47/1067327047.db2.gz JISBANOMTGAUBH-QYZOEREBSA-N 0 1 475.546 -1.866 20 0 JAADMN CC(=O)N1CC2(C1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]2C(=O)N(C)C ZINC001161506740 1067327074 /nfs/dbraw/zinc/32/70/74/1067327074.db2.gz PACOSCMMBXZFQY-CYBMUJFWSA-N 0 1 453.500 -4.311 20 0 JAADMN CC(=O)N1CC2(C1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]2C(=O)N(C)C ZINC001161506741 1067326683 /nfs/dbraw/zinc/32/66/83/1067326683.db2.gz PACOSCMMBXZFQY-ZDUSSCGKSA-N 0 1 453.500 -4.311 20 0 JAADMN CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C[C@H]2C(=O)N(C)C ZINC001161507298 1067326711 /nfs/dbraw/zinc/32/67/11/1067326711.db2.gz RWURABKKKXWITR-BPUTZDHNSA-N 0 1 450.540 -2.164 20 0 JAADMN CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C[C@@H]2C(=O)N(C)C ZINC001161507303 1067326887 /nfs/dbraw/zinc/32/68/87/1067326887.db2.gz RWURABKKKXWITR-IMJJTQAJSA-N 0 1 450.540 -2.164 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161516722 1067327211 /nfs/dbraw/zinc/32/72/11/1067327211.db2.gz GSFKTGRCFVYYPP-UHFFFAOYSA-N 0 1 478.525 -1.760 20 0 JAADMN CS(=O)(=O)N(CC[NH3+])c1ccc(I)c(-c2nn[n-]n2)c1S(N)(=O)=O ZINC001162126117 1067329155 /nfs/dbraw/zinc/32/91/55/1067329155.db2.gz DHCABCDATAVUHX-UHFFFAOYSA-N 0 1 487.305 -1.157 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001162844538 1067329454 /nfs/dbraw/zinc/32/94/54/1067329454.db2.gz CHIANIRWNRFEMB-IRXDYDNUSA-N 0 1 489.558 -1.516 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001162844585 1067329323 /nfs/dbraw/zinc/32/93/23/1067329323.db2.gz DANKGXYWAKSDSJ-IRXDYDNUSA-N 0 1 477.547 -1.366 20 0 JAADMN CN1c2cnc(-n3cncc3C[C@H](N)C(=O)N3CCC[C@H]3C(N)=O)nc2N2CCC[C@@H]2C1=O ZINC001162844652 1067330103 /nfs/dbraw/zinc/33/01/03/1067330103.db2.gz GNBDZZLPZXIGAH-SOUVJXGZSA-N 0 1 453.507 -1.046 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ccc(C(=O)NC2CCOCC2)nn1 ZINC001162845163 1067329846 /nfs/dbraw/zinc/32/98/46/1067329846.db2.gz HGNMOFCVFBUGFY-RDJZCZTQSA-N 0 1 456.507 -1.083 20 0 JAADMN COC(=O)c1cc(S(N)(=O)=O)cnc1-n1cncc1C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O ZINC001162845286 1067330027 /nfs/dbraw/zinc/33/00/27/1067330027.db2.gz IWIYCEFNHGJBBG-KBPBESRZSA-N 0 1 465.492 -1.953 20 0 JAADMN CCOC(=O)c1cnc([S@@](C)=O)nc1-n1cncc1C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O ZINC001162846142 1067329877 /nfs/dbraw/zinc/32/98/77/1067329877.db2.gz RKESFKIUMCUUIE-MMCBDWEOSA-N 0 1 463.520 -1.078 20 0 JAADMN CCOC(=O)c1cnc([S@](C)=O)nc1-n1cncc1C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O ZINC001162846145 1067329821 /nfs/dbraw/zinc/32/98/21/1067329821.db2.gz RKESFKIUMCUUIE-PCFPMLOUSA-N 0 1 463.520 -1.078 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cncn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001162846186 1067330138 /nfs/dbraw/zinc/33/01/38/1067330138.db2.gz YTTRPGSEQIHDJH-HOTGVXAUSA-N 0 1 477.547 -1.366 20 0 JAADMN NS(=O)(=O)c1c(N(CC[NH3+])CCO)ccc(I)c1-c1nn[n-]n1 ZINC001163832307 1067338591 /nfs/dbraw/zinc/33/85/91/1067338591.db2.gz MBTOQWIKXDSCTF-UHFFFAOYSA-N 0 1 453.266 -1.124 20 0 JAADMN NS(=O)(=O)c1c(N(CC[NH3+])CCO)ccc(I)c1-c1nnn[n-]1 ZINC001163832307 1067338577 /nfs/dbraw/zinc/33/85/77/1067338577.db2.gz MBTOQWIKXDSCTF-UHFFFAOYSA-N 0 1 453.266 -1.124 20 0 JAADMN CN(c1ccc(I)c(-c2nn[n-]n2)c1S(N)(=O)=O)S(=O)(=O)CC[NH3+] ZINC001164296716 1067339016 /nfs/dbraw/zinc/33/90/16/1067339016.db2.gz MQDMQWWBRJZOMN-UHFFFAOYSA-N 0 1 487.305 -1.157 20 0 JAADMN Cn1nc(N(C(=N)CCSCc2csc(NC(=N)N)n2)S(N)(=O)=O)c(=O)n(C)c1=O ZINC001169182073 1067107301 /nfs/dbraw/zinc/10/73/01/1067107301.db2.gz MBINPHGWHOCLQM-UHFFFAOYSA-N 0 1 476.570 -1.448 20 0 JAADMN CC(=O)N1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001169504950 1067108432 /nfs/dbraw/zinc/10/84/32/1067108432.db2.gz UBLMIROYJCAMGT-ILXRZTDVSA-N 0 1 465.511 -1.170 20 0 JAADMN CC(=O)N1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001169504951 1067108073 /nfs/dbraw/zinc/10/80/73/1067108073.db2.gz UBLMIROYJCAMGT-KKUMJFAQSA-N 0 1 465.511 -1.170 20 0 JAADMN CC(=O)N1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001169504952 1067108371 /nfs/dbraw/zinc/10/83/71/1067108371.db2.gz UBLMIROYJCAMGT-QLFBSQMISA-N 0 1 465.511 -1.170 20 0 JAADMN CC(=O)N1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001169504953 1067108466 /nfs/dbraw/zinc/10/84/66/1067108466.db2.gz UBLMIROYJCAMGT-SOUVJXGZSA-N 0 1 465.511 -1.170 20 0 JAADMN CCOC(=O)N1CCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001169651772 1067108222 /nfs/dbraw/zinc/10/82/22/1067108222.db2.gz JTERJBVXCLYJQI-GCXGIZPZSA-N 0 1 451.484 -1.063 20 0 JAADMN CCOC(=O)N1CCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001169651773 1067108556 /nfs/dbraw/zinc/10/85/56/1067108556.db2.gz JTERJBVXCLYJQI-JZLXNPJKSA-N 0 1 451.484 -1.063 20 0 JAADMN CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170027793 1067109505 /nfs/dbraw/zinc/10/95/05/1067109505.db2.gz VQCLJWNKNBCTBK-MNCOHNSWSA-N 0 1 463.553 -1.713 20 0 JAADMN CC(C)(C)OC(=O)N1C[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170027794 1067109495 /nfs/dbraw/zinc/10/94/95/1067109495.db2.gz VQCLJWNKNBCTBK-QHLKRXENSA-N 0 1 463.553 -1.713 20 0 JAADMN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170027795 1067109297 /nfs/dbraw/zinc/10/92/97/1067109297.db2.gz VQCLJWNKNBCTBK-ULRVOZHWSA-N 0 1 463.553 -1.713 20 0 JAADMN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170027796 1067110339 /nfs/dbraw/zinc/11/03/39/1067110339.db2.gz VQCLJWNKNBCTBK-USYRYXCBSA-N 0 1 463.553 -1.713 20 0 JAADMN CC(C)(C)OC(=O)N1C[C@H](NCC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(=O)N1CCSC1 ZINC001170036504 1067110609 /nfs/dbraw/zinc/11/06/09/1067110609.db2.gz XLJJWAPWQCBRGC-OLZOCXBDSA-N 0 1 472.568 -1.795 20 0 JAADMN CC(C)(C)OC(=O)N1C[C@@H](NCC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(=O)N1CCSC1 ZINC001170036505 1067110418 /nfs/dbraw/zinc/11/04/18/1067110418.db2.gz XLJJWAPWQCBRGC-STQMWFEESA-N 0 1 472.568 -1.795 20 0 JAADMN CC(=O)OC[C@H]1O[C@@H](n2cc(NC[C@H]3COCCN3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170050860 1067110450 /nfs/dbraw/zinc/11/04/50/1067110450.db2.gz SKENDUUWZCUSHB-BKXFODETSA-N 0 1 484.462 -1.327 20 0 JAADMN CC(=O)OC[C@H]1O[C@@H](n2cc(NC[C@@H]3COCCN3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170050861 1067110587 /nfs/dbraw/zinc/11/05/87/1067110587.db2.gz SKENDUUWZCUSHB-OAIGWWADSA-N 0 1 484.462 -1.327 20 0 JAADMN CC[C@@](N)(CO)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O ZINC001170869960 1067115795 /nfs/dbraw/zinc/11/57/95/1067115795.db2.gz KKBPNLRNSDKXOI-GHJUNDHASA-N 0 1 472.451 -1.258 20 0 JAADMN CC[C@](N)(CO)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O ZINC001170869967 1067115756 /nfs/dbraw/zinc/11/57/56/1067115756.db2.gz KKBPNLRNSDKXOI-SDAMIPCISA-N 0 1 472.451 -1.258 20 0 JAADMN [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262724 1067137215 /nfs/dbraw/zinc/13/72/15/1067137215.db2.gz POMZRASIWGJNFM-BDQAWRDZSA-N 0 1 475.487 -1.010 20 0 JAADMN COC(=O)[C@@H]1C[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C[C@@H]1C(=O)OC ZINC001173570472 1067148155 /nfs/dbraw/zinc/14/81/55/1067148155.db2.gz FKDTWWBSKABFFW-HLXGQDKASA-N 0 1 465.503 -1.015 20 0 JAADMN COC(=O)[C@@H]1C[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C[C@@H]1C(=O)OC ZINC001173570473 1067148475 /nfs/dbraw/zinc/14/84/75/1067148475.db2.gz FKDTWWBSKABFFW-PIFPUSAWSA-N 0 1 465.503 -1.015 20 0 JAADMN COC(=O)[C@@H]1C[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C[C@@H]1C(=O)OC ZINC001173570604 1067148349 /nfs/dbraw/zinc/14/83/49/1067148349.db2.gz HHHQXKNZOGXWJY-OBCVZTRHSA-N 0 1 451.476 -1.404 20 0 JAADMN COC(=O)[C@@H]1C[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C[C@@H]1C(=O)OC ZINC001173570655 1067148393 /nfs/dbraw/zinc/14/83/93/1067148393.db2.gz HHHQXKNZOGXWJY-RKOFLFEYSA-N 0 1 451.476 -1.404 20 0 JAADMN COC(=O)[C@@H]1C[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173572790 1067148404 /nfs/dbraw/zinc/14/84/04/1067148404.db2.gz TXTIHQSAGNABSE-IDOKYYSUSA-N 0 1 492.529 -1.260 20 0 JAADMN COC(=O)[C@@H]1C[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@@H]1C(=O)OC ZINC001173572795 1067148258 /nfs/dbraw/zinc/14/82/58/1067148258.db2.gz TXTIHQSAGNABSE-QZOZAFJCSA-N 0 1 492.529 -1.260 20 0 JAADMN CN1C(=O)[C@H]2CN(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]2C1=O ZINC001175436150 1067148981 /nfs/dbraw/zinc/14/89/81/1067148981.db2.gz HNFMRPBNSMTATF-CALCHBBNSA-N 0 1 450.517 -1.130 20 0 JAADMN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001176353895 1067149514 /nfs/dbraw/zinc/14/95/14/1067149514.db2.gz IWUYCDIONANXPM-BBWFWOEESA-N 0 1 463.539 -1.420 20 0 JAADMN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001176356619 1067149471 /nfs/dbraw/zinc/14/94/71/1067149471.db2.gz LMWHPCJRYZNUOV-BRSBDYLESA-N 0 1 467.548 -1.423 20 0 JAADMN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001176356623 1067150102 /nfs/dbraw/zinc/15/01/02/1067150102.db2.gz LMWHPCJRYZNUOV-BSDSXHPESA-N 0 1 467.548 -1.423 20 0 JAADMN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)Cc1nn[n-]n1)C(N)=O ZINC001176847349 1067151073 /nfs/dbraw/zinc/15/10/73/1067151073.db2.gz SFEXGDYHYOABRQ-XEZPLFJOSA-N 0 1 451.532 -2.027 20 0 JAADMN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)Cc2nn[nH]n2)cc1 ZINC001176847461 1067151295 /nfs/dbraw/zinc/15/12/95/1067151295.db2.gz XGQGJFBSQZVNMK-BDQAWRDZSA-N 0 1 471.430 -1.387 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CCN(c2ncccn2)CC1 ZINC001176984378 1067152114 /nfs/dbraw/zinc/15/21/14/1067152114.db2.gz KQYLTJYEQHZYTM-IRXDYDNUSA-N 0 1 455.523 -1.475 20 0 JAADMN CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C(=O)C1 ZINC001178506819 1067155631 /nfs/dbraw/zinc/15/56/31/1067155631.db2.gz LQQLJKIGLRNLAQ-HOTGVXAUSA-N 0 1 491.549 -1.007 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC(=O)N(C)C1)c(N)nc2=O ZINC001178526284 1067155732 /nfs/dbraw/zinc/15/57/32/1067155732.db2.gz PGJTZMNXDRRGQJ-DYEKYZERSA-N 0 1 479.494 -1.845 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC(=O)N(C)C1)c(N)nc2=O ZINC001178526285 1067155456 /nfs/dbraw/zinc/15/54/56/1067155456.db2.gz PGJTZMNXDRRGQJ-MBNYWOFBSA-N 0 1 479.494 -1.845 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC(=O)N(C)C1)c(N)nc2=O ZINC001178526286 1067155545 /nfs/dbraw/zinc/15/55/45/1067155545.db2.gz PGJTZMNXDRRGQJ-OBJOEFQTSA-N 0 1 479.494 -1.845 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC(=O)N(C)C1)c(N)nc2=O ZINC001178526287 1067155771 /nfs/dbraw/zinc/15/57/71/1067155771.db2.gz PGJTZMNXDRRGQJ-SGMGOOAPSA-N 0 1 479.494 -1.845 20 0 JAADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001178732103 1067157496 /nfs/dbraw/zinc/15/74/96/1067157496.db2.gz JRQLPWHLFHBIKY-JHSMRDDHSA-N 0 1 460.505 -1.502 20 0 JAADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001178732104 1067157413 /nfs/dbraw/zinc/15/74/13/1067157413.db2.gz JRQLPWHLFHBIKY-VVISGUIUSA-N 0 1 460.505 -1.502 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCN1CCOC1=O)c(N)nc2=O ZINC001178784059 1067157571 /nfs/dbraw/zinc/15/75/71/1067157571.db2.gz MKJNIZWGBQXRNW-GXTWGEPZSA-N 0 1 495.493 -1.481 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCN1CCOC1=O)c(N)nc2=O ZINC001178784061 1067157525 /nfs/dbraw/zinc/15/75/25/1067157525.db2.gz MKJNIZWGBQXRNW-JSGCOSHPSA-N 0 1 495.493 -1.481 20 0 JAADMN C[NH+]1CCN(CC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)CC1 ZINC001178946220 1067158459 /nfs/dbraw/zinc/15/84/59/1067158459.db2.gz UEKDSZKASZKAIM-GRHWWUNPSA-N 0 1 469.395 -1.214 20 0 JAADMN C[NH+]1CCN(CC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)CC1 ZINC001178946222 1067158247 /nfs/dbraw/zinc/15/82/47/1067158247.db2.gz UEKDSZKASZKAIM-KEAXFYSCSA-N 0 1 469.395 -1.214 20 0 JAADMN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178997689 1067159382 /nfs/dbraw/zinc/15/93/82/1067159382.db2.gz PEMGYFFITWFNTC-AIVZJVSBSA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178997689 1067159376 /nfs/dbraw/zinc/15/93/76/1067159376.db2.gz PEMGYFFITWFNTC-AIVZJVSBSA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178997696 1067159109 /nfs/dbraw/zinc/15/91/09/1067159109.db2.gz PEMGYFFITWFNTC-DGYIVEFISA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178997696 1067159097 /nfs/dbraw/zinc/15/90/97/1067159097.db2.gz PEMGYFFITWFNTC-DGYIVEFISA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178997697 1067159323 /nfs/dbraw/zinc/15/93/23/1067159323.db2.gz PEMGYFFITWFNTC-KKHNULJSSA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178997697 1067159317 /nfs/dbraw/zinc/15/93/17/1067159317.db2.gz PEMGYFFITWFNTC-KKHNULJSSA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178997698 1067159228 /nfs/dbraw/zinc/15/92/28/1067159228.db2.gz PEMGYFFITWFNTC-KRIAZEKOSA-N 0 1 462.477 -2.369 20 0 JAADMN O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178997698 1067159214 /nfs/dbraw/zinc/15/92/14/1067159214.db2.gz PEMGYFFITWFNTC-KRIAZEKOSA-N 0 1 462.477 -2.369 20 0 JAADMN CN1C[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155577 1067160048 /nfs/dbraw/zinc/16/00/48/1067160048.db2.gz GZIWACSOFYQMAG-AIVZJVSBSA-N 0 1 475.539 -1.997 20 0 JAADMN CN1C[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155578 1067160327 /nfs/dbraw/zinc/16/03/27/1067160327.db2.gz GZIWACSOFYQMAG-DGYIVEFISA-N 0 1 475.539 -1.997 20 0 JAADMN CN1C[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155579 1067160235 /nfs/dbraw/zinc/16/02/35/1067160235.db2.gz GZIWACSOFYQMAG-KKHNULJSSA-N 0 1 475.539 -1.997 20 0 JAADMN CN1C[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155580 1067160874 /nfs/dbraw/zinc/16/08/74/1067160874.db2.gz GZIWACSOFYQMAG-KRIAZEKOSA-N 0 1 475.539 -1.997 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](O)C(C)C)c(N)nc2=O ZINC001179607622 1067163029 /nfs/dbraw/zinc/16/30/29/1067163029.db2.gz VFHVDLUHXQPIPT-OBJOEFQTSA-N 0 1 454.484 -1.306 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](O)C(C)C)c(N)nc2=O ZINC001179607627 1067162711 /nfs/dbraw/zinc/16/27/11/1067162711.db2.gz VFHVDLUHXQPIPT-SCRDCRAPSA-N 0 1 454.484 -1.306 20 0 JAADMN CC(=O)N(C)CCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001180229387 1067164539 /nfs/dbraw/zinc/16/45/39/1067164539.db2.gz LFHWBIDNIDPBTR-DZGCQCFKSA-N 0 1 481.510 -1.455 20 0 JAADMN CC(=O)N(C)CCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001180229388 1067164835 /nfs/dbraw/zinc/16/48/35/1067164835.db2.gz LFHWBIDNIDPBTR-ZFWWWQNUSA-N 0 1 481.510 -1.455 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CSCC(=O)N1)c(N)nc2=O ZINC001180556846 1067166945 /nfs/dbraw/zinc/16/69/45/1067166945.db2.gz USMFBNMOTJZSMB-DMDPSCGWSA-N 0 1 497.534 -2.092 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CSCC(=O)N1)c(N)nc2=O ZINC001180556847 1067167101 /nfs/dbraw/zinc/16/71/01/1067167101.db2.gz USMFBNMOTJZSMB-GMXVVIOVSA-N 0 1 497.534 -2.092 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CSCC(=O)N1)c(N)nc2=O ZINC001180556848 1067167042 /nfs/dbraw/zinc/16/70/42/1067167042.db2.gz USMFBNMOTJZSMB-GVXVVHGQSA-N 0 1 497.534 -2.092 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CSCC(=O)N1)c(N)nc2=O ZINC001180556849 1067167189 /nfs/dbraw/zinc/16/71/89/1067167189.db2.gz USMFBNMOTJZSMB-LOWVWBTDSA-N 0 1 497.534 -2.092 20 0 JAADMN NC(=O)C1CCN(CCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001180608659 1067168654 /nfs/dbraw/zinc/16/86/54/1067168654.db2.gz HFWNWLVQFXQNND-KZNAEPCWSA-N 0 1 470.592 -1.306 20 0 JAADMN NC(=O)C1CCN(CCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001180608660 1067168684 /nfs/dbraw/zinc/16/86/84/1067168684.db2.gz HFWNWLVQFXQNND-RCCFBDPRSA-N 0 1 470.592 -1.306 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCN(C)C(=O)C1)c(N)nc2=O ZINC001180637575 1067168461 /nfs/dbraw/zinc/16/84/61/1067168461.db2.gz POAMKRHBQYCNPZ-IPYPFGDCSA-N 0 1 493.521 -1.455 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCN(C)C(=O)C1)c(N)nc2=O ZINC001180637576 1067168407 /nfs/dbraw/zinc/16/84/07/1067168407.db2.gz POAMKRHBQYCNPZ-KCQAQPDRSA-N 0 1 493.521 -1.455 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCN(C)C(=O)C1)c(N)nc2=O ZINC001180637577 1067168672 /nfs/dbraw/zinc/16/86/72/1067168672.db2.gz POAMKRHBQYCNPZ-VNHYZAJKSA-N 0 1 493.521 -1.455 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCN(C)C(=O)C1)c(N)nc2=O ZINC001180637578 1067168616 /nfs/dbraw/zinc/16/86/16/1067168616.db2.gz POAMKRHBQYCNPZ-YDHLFZDLSA-N 0 1 493.521 -1.455 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCNC(=O)C1CC1)c(N)nc2=O ZINC001180854550 1067170609 /nfs/dbraw/zinc/17/06/09/1067170609.db2.gz LDDCCXNYYMFUTH-DZGCQCFKSA-N 0 1 493.521 -1.407 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCNC(=O)C1CC1)c(N)nc2=O ZINC001180854551 1067170332 /nfs/dbraw/zinc/17/03/32/1067170332.db2.gz LDDCCXNYYMFUTH-ZFWWWQNUSA-N 0 1 493.521 -1.407 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H](C)N(C)C)c(N)nc2=O ZINC001180864862 1067170478 /nfs/dbraw/zinc/17/04/78/1067170478.db2.gz LXFFXPYUDISSIA-AVGNSLFASA-N 0 1 453.500 -1.373 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H](C)N(C)C)c(N)nc2=O ZINC001180864864 1067170294 /nfs/dbraw/zinc/17/02/94/1067170294.db2.gz LXFFXPYUDISSIA-RWMBFGLXSA-N 0 1 453.500 -1.373 20 0 JAADMN CCC[C@@H](NC(C)=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001180979353 1067171256 /nfs/dbraw/zinc/17/12/56/1067171256.db2.gz GTJSTBPUYHJSAZ-RRFJBIMHSA-N 0 1 495.537 -1.018 20 0 JAADMN CCC[C@@H](NC(C)=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001180979361 1067171274 /nfs/dbraw/zinc/17/12/74/1067171274.db2.gz GTJSTBPUYHJSAZ-ZNMIVQPWSA-N 0 1 495.537 -1.018 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H](C)N1CCCC1=O)c(N)nc2=O ZINC001181312216 1067172877 /nfs/dbraw/zinc/17/28/77/1067172877.db2.gz ANNNGWMHVILURI-KCQAQPDRSA-N 0 1 493.521 -1.312 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H](C)N1CCCC1=O)c(N)nc2=O ZINC001181312220 1067173024 /nfs/dbraw/zinc/17/30/24/1067173024.db2.gz ANNNGWMHVILURI-YDHLFZDLSA-N 0 1 493.521 -1.312 20 0 JAADMN COC(=O)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001181389047 1067172703 /nfs/dbraw/zinc/17/27/03/1067172703.db2.gz VGSHCJGJVKQSFL-GWCFXTLKSA-N 0 1 454.440 -1.760 20 0 JAADMN COC(=O)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001181389056 1067173005 /nfs/dbraw/zinc/17/30/05/1067173005.db2.gz VGSHCJGJVKQSFL-GXFFZTMASA-N 0 1 454.440 -1.760 20 0 JAADMN CC(=O)OCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001181406127 1067173759 /nfs/dbraw/zinc/17/37/59/1067173759.db2.gz HUZWNPBHBKETTD-AAEUAGOBSA-N 0 1 454.440 -1.760 20 0 JAADMN CC(=O)OCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001181406129 1067173823 /nfs/dbraw/zinc/17/38/23/1067173823.db2.gz HUZWNPBHBKETTD-WCQYABFASA-N 0 1 454.440 -1.760 20 0 JAADMN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181496149 1067173717 /nfs/dbraw/zinc/17/37/17/1067173717.db2.gz ZDOQQEFQXIPYLH-DLMJYSKUSA-N 0 1 472.516 -1.216 20 0 JAADMN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181496149 1067173711 /nfs/dbraw/zinc/17/37/11/1067173711.db2.gz ZDOQQEFQXIPYLH-DLMJYSKUSA-N 0 1 472.516 -1.216 20 0 JAADMN O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181496150 1067173783 /nfs/dbraw/zinc/17/37/83/1067173783.db2.gz ZDOQQEFQXIPYLH-OVXQWNHGSA-N 0 1 472.516 -1.216 20 0 JAADMN O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181496150 1067173779 /nfs/dbraw/zinc/17/37/79/1067173779.db2.gz ZDOQQEFQXIPYLH-OVXQWNHGSA-N 0 1 472.516 -1.216 20 0 JAADMN CCOC(=O)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001181788650 1067175492 /nfs/dbraw/zinc/17/54/92/1067175492.db2.gz BGXKOKBMNCVDDX-FZMZJTMJSA-N 0 1 468.467 -1.370 20 0 JAADMN CCOC(=O)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001181788661 1067175236 /nfs/dbraw/zinc/17/52/36/1067175236.db2.gz BGXKOKBMNCVDDX-SMDDNHRTSA-N 0 1 468.467 -1.370 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1COC(=O)[C@H]1C)c(N)nc2=O ZINC001182087327 1067177005 /nfs/dbraw/zinc/17/70/05/1067177005.db2.gz MIUZXOVJSHAOKY-CYDGBPFRSA-N 0 1 480.478 -1.514 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1COC(=O)[C@H]1C)c(N)nc2=O ZINC001182087329 1067177025 /nfs/dbraw/zinc/17/70/25/1067177025.db2.gz MIUZXOVJSHAOKY-RVMXOQNASA-N 0 1 480.478 -1.514 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1COC(=O)[C@@H]1C)c(N)nc2=O ZINC001182087332 1067176849 /nfs/dbraw/zinc/17/68/49/1067176849.db2.gz MIUZXOVJSHAOKY-VOAKCMCISA-N 0 1 480.478 -1.514 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1COC(=O)[C@@H]1C)c(N)nc2=O ZINC001182087335 1067176926 /nfs/dbraw/zinc/17/69/26/1067176926.db2.gz MIUZXOVJSHAOKY-XQHKEYJVSA-N 0 1 480.478 -1.514 20 0 JAADMN Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001182342859 1067178655 /nfs/dbraw/zinc/17/86/55/1067178655.db2.gz DLVRLUGBQKSHJW-DCDDNHAVSA-N 0 1 474.532 -1.050 20 0 JAADMN Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001182342862 1067178548 /nfs/dbraw/zinc/17/85/48/1067178548.db2.gz DLVRLUGBQKSHJW-GGPCPXQKSA-N 0 1 474.532 -1.050 20 0 JAADMN Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001182342864 1067178406 /nfs/dbraw/zinc/17/84/06/1067178406.db2.gz DLVRLUGBQKSHJW-MYLBCWQPSA-N 0 1 474.532 -1.050 20 0 JAADMN Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001182342865 1067178536 /nfs/dbraw/zinc/17/85/36/1067178536.db2.gz DLVRLUGBQKSHJW-UMCYSPNLSA-N 0 1 474.532 -1.050 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]1C(N)=O)c(N)nc2=O ZINC001182384137 1067178467 /nfs/dbraw/zinc/17/84/67/1067178467.db2.gz GDHQTVUKOWRSKZ-BJDJZHNGSA-N 0 1 465.467 -2.202 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@H]1C(N)=O)c(N)nc2=O ZINC001182384138 1067178511 /nfs/dbraw/zinc/17/85/11/1067178511.db2.gz GDHQTVUKOWRSKZ-QCNOEVLYSA-N 0 1 465.467 -2.202 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H]1C(N)=O)c(N)nc2=O ZINC001182384139 1067178364 /nfs/dbraw/zinc/17/83/64/1067178364.db2.gz GDHQTVUKOWRSKZ-USZNOCQGSA-N 0 1 465.467 -2.202 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@@H]1C(N)=O)c(N)nc2=O ZINC001182384140 1067178494 /nfs/dbraw/zinc/17/84/94/1067178494.db2.gz GDHQTVUKOWRSKZ-YFKTTZPYSA-N 0 1 465.467 -2.202 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(N(C)C)CC1)c(N)nc2=O ZINC001182600779 1067181228 /nfs/dbraw/zinc/18/12/28/1067181228.db2.gz LZAOOEUKSDHCLP-QWHCGFSZSA-N 0 1 465.511 -1.229 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(N(C)C)CC1)c(N)nc2=O ZINC001182600780 1067180837 /nfs/dbraw/zinc/18/08/37/1067180837.db2.gz LZAOOEUKSDHCLP-STQMWFEESA-N 0 1 465.511 -1.229 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H](O)C1)c(N)nc2=O ZINC001182642203 1067181085 /nfs/dbraw/zinc/18/10/85/1067181085.db2.gz BVYQMSKKMPGIDM-CYDGBPFRSA-N 0 1 452.468 -1.552 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H](O)C1)c(N)nc2=O ZINC001182642207 1067180881 /nfs/dbraw/zinc/18/08/81/1067180881.db2.gz BVYQMSKKMPGIDM-ZDEQEGDKSA-N 0 1 452.468 -1.552 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(=O)C1CC1)c(N)nc2=O ZINC001182671689 1067181263 /nfs/dbraw/zinc/18/12/63/1067181263.db2.gz ZDHQYZCDHUTFDV-NWDGAFQWSA-N 0 1 450.452 -1.344 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(=O)C1CC1)c(N)nc2=O ZINC001182671690 1067181133 /nfs/dbraw/zinc/18/11/33/1067181133.db2.gz ZDHQYZCDHUTFDV-RYUDHWBXSA-N 0 1 450.452 -1.344 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCNC1=O)c(N)nc2=O ZINC001183022310 1067184035 /nfs/dbraw/zinc/18/40/35/1067184035.db2.gz XWSCNLBHVDVJQY-QJPTWQEYSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCNC1=O)c(N)nc2=O ZINC001183022311 1067183976 /nfs/dbraw/zinc/18/39/76/1067183976.db2.gz XWSCNLBHVDVJQY-SDDRHHMPSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCNC1=O)c(N)nc2=O ZINC001183022312 1067183893 /nfs/dbraw/zinc/18/38/93/1067183893.db2.gz XWSCNLBHVDVJQY-SRVKXCTJSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCNC1=O)c(N)nc2=O ZINC001183022313 1067183990 /nfs/dbraw/zinc/18/39/90/1067183990.db2.gz XWSCNLBHVDVJQY-TUAOUCFPSA-N 0 1 465.467 -2.187 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CN(C)C(=O)N1)c(N)nc2=O ZINC001183074835 1067183968 /nfs/dbraw/zinc/18/39/68/1067183968.db2.gz DFLSUXGCUBTTHN-SDDRHHMPSA-N 0 1 480.482 -2.300 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CN(C)C(=O)N1)c(N)nc2=O ZINC001183074836 1067185087 /nfs/dbraw/zinc/18/50/87/1067185087.db2.gz DFLSUXGCUBTTHN-SRVKXCTJSA-N 0 1 480.482 -2.300 20 0 JAADMN CC[C@H](CO)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001183169323 1067185822 /nfs/dbraw/zinc/18/58/22/1067185822.db2.gz JEUZTBBNNARPJX-AGIUHOORSA-N 0 1 454.484 -1.305 20 0 JAADMN CC[C@@H](CO)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001183169324 1067185722 /nfs/dbraw/zinc/18/57/22/1067185722.db2.gz JEUZTBBNNARPJX-AVGNSLFASA-N 0 1 454.484 -1.305 20 0 JAADMN CC[C@H](CO)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001183169325 1067186093 /nfs/dbraw/zinc/18/60/93/1067186093.db2.gz JEUZTBBNNARPJX-FRRDWIJNSA-N 0 1 454.484 -1.305 20 0 JAADMN CC[C@@H](CO)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001183169326 1067185976 /nfs/dbraw/zinc/18/59/76/1067185976.db2.gz JEUZTBBNNARPJX-RWMBFGLXSA-N 0 1 454.484 -1.305 20 0 JAADMN CCOC(=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001183254408 1067186868 /nfs/dbraw/zinc/18/68/68/1067186868.db2.gz RKZNRMSWDCAQAU-QWRGUYRKSA-N 0 1 454.440 -1.760 20 0 JAADMN CCOC(=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001183254417 1067186703 /nfs/dbraw/zinc/18/67/03/1067186703.db2.gz RKZNRMSWDCAQAU-WDEREUQCSA-N 0 1 454.440 -1.760 20 0 JAADMN CCCCC(=O)NCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001183271308 1067186825 /nfs/dbraw/zinc/18/68/25/1067186825.db2.gz LXIQFQUUBANDTA-BBRMVZONSA-N 0 1 495.537 -1.017 20 0 JAADMN CCCCC(=O)NCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001183271314 1067186766 /nfs/dbraw/zinc/18/67/66/1067186766.db2.gz LXIQFQUUBANDTA-XJKSGUPXSA-N 0 1 495.537 -1.017 20 0 JAADMN CCOC(=O)[C@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001184229327 1067191828 /nfs/dbraw/zinc/19/18/28/1067191828.db2.gz UGLINGUEIPERBB-AGIUHOORSA-N 0 1 482.494 -1.124 20 0 JAADMN CCOC(=O)[C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001184229329 1067191813 /nfs/dbraw/zinc/19/18/13/1067191813.db2.gz UGLINGUEIPERBB-AVGNSLFASA-N 0 1 482.494 -1.124 20 0 JAADMN CCOC(=O)[C@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001184229331 1067192101 /nfs/dbraw/zinc/19/21/01/1067192101.db2.gz UGLINGUEIPERBB-FRRDWIJNSA-N 0 1 482.494 -1.124 20 0 JAADMN CCOC(=O)[C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001184229333 1067191974 /nfs/dbraw/zinc/19/19/74/1067191974.db2.gz UGLINGUEIPERBB-RWMBFGLXSA-N 0 1 482.494 -1.124 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC(=O)N1C)c(N)nc2=O ZINC001184319935 1067192562 /nfs/dbraw/zinc/19/25/62/1067192562.db2.gz MNXUOLFWKJMHRV-OBJOEFQTSA-N 0 1 479.494 -1.702 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC(=O)N1C)c(N)nc2=O ZINC001184319936 1067192717 /nfs/dbraw/zinc/19/27/17/1067192717.db2.gz MNXUOLFWKJMHRV-SGMGOOAPSA-N 0 1 479.494 -1.702 20 0 JAADMN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001184423070 1067193435 /nfs/dbraw/zinc/19/34/35/1067193435.db2.gz UIUCKDKVYBFCKO-GNBUJSLZSA-N 0 1 484.513 -1.338 20 0 JAADMN CCCC[C@H](NC=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001184588698 1067193352 /nfs/dbraw/zinc/19/33/52/1067193352.db2.gz AXPIKUNFEQAPQL-KKUMJFAQSA-N 0 1 495.537 -1.018 20 0 JAADMN CCCC[C@H](NC=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001184588701 1067193332 /nfs/dbraw/zinc/19/33/32/1067193332.db2.gz AXPIKUNFEQAPQL-SOUVJXGZSA-N 0 1 495.537 -1.018 20 0 JAADMN CCOC(=O)c1sc(S(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)nc1C ZINC001184988833 1067195428 /nfs/dbraw/zinc/19/54/28/1067195428.db2.gz KWPPJOJIGBTHSO-UORFTKCHSA-N 0 1 476.489 -1.512 20 0 JAADMN CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1nc(C)c(C(=O)OCC)s1 ZINC001184989365 1067195360 /nfs/dbraw/zinc/19/53/60/1067195360.db2.gz SGDJBAXYARHONB-UHFFFAOYSA-N 0 1 450.495 -1.298 20 0 JAADMN CCOC(=O)c1sc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)nc1C ZINC001184995826 1067195258 /nfs/dbraw/zinc/19/52/58/1067195258.db2.gz FMHNNQOHFIQVAW-JTQLQIEISA-N 0 1 461.522 -1.501 20 0 JAADMN CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001185247108 1067195115 /nfs/dbraw/zinc/19/51/15/1067195115.db2.gz YROZJUQASAGSGG-HFUUILQTSA-N 0 1 469.395 -1.215 20 0 JAADMN CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001185247119 1067195152 /nfs/dbraw/zinc/19/51/52/1067195152.db2.gz YROZJUQASAGSGG-PQNDQDNYSA-N 0 1 469.395 -1.215 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CN(C)CCN1C)C(N)=O ZINC001185269857 1067195949 /nfs/dbraw/zinc/19/59/49/1067195949.db2.gz RKGYELKRQPRAJY-HRCADAONSA-N 0 1 458.629 -1.398 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CN(C)CCN1C)C(N)=O ZINC001185269858 1067196239 /nfs/dbraw/zinc/19/62/39/1067196239.db2.gz RKGYELKRQPRAJY-JYJNAYRXSA-N 0 1 458.629 -1.398 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@](C)(O)C1)c(N)nc2=O ZINC001185474811 1067196093 /nfs/dbraw/zinc/19/60/93/1067196093.db2.gz ZUENUGCOHUPZLU-DHSUFXDVSA-N 0 1 466.495 -1.162 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@](C)(O)C1)c(N)nc2=O ZINC001185474816 1067196046 /nfs/dbraw/zinc/19/60/46/1067196046.db2.gz ZUENUGCOHUPZLU-OXMIEMGYSA-N 0 1 466.495 -1.162 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185630892 1067199568 /nfs/dbraw/zinc/19/95/68/1067199568.db2.gz DVRFSCDREUBFQU-IRXDYDNUSA-N 0 1 468.518 -1.052 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185911286 1067201562 /nfs/dbraw/zinc/20/15/62/1067201562.db2.gz HFCSGUXIKSUKCY-QWRGUYRKSA-N 0 1 460.886 -1.011 20 0 JAADMN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001186626832 1067203913 /nfs/dbraw/zinc/20/39/13/1067203913.db2.gz GWMIIRKRGLTCPR-ULQDDVLXSA-N 0 1 490.609 -1.493 20 0 JAADMN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001186627277 1067203936 /nfs/dbraw/zinc/20/39/36/1067203936.db2.gz LAZYDRFPZPAKNK-AVGNSLFASA-N 0 1 477.522 -1.742 20 0 JAADMN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001186628441 1067204437 /nfs/dbraw/zinc/20/44/37/1067204437.db2.gz WGTCEGKOWKGQSH-SRVKXCTJSA-N 0 1 486.551 -1.858 20 0 JAADMN CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186630914 1067205902 /nfs/dbraw/zinc/20/59/02/1067205902.db2.gz JTGMTZKXJQCTHN-CENBSLRLSA-N 0 1 450.496 -1.067 20 0 JAADMN CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186630916 1067205998 /nfs/dbraw/zinc/20/59/98/1067205998.db2.gz JTGMTZKXJQCTHN-YWDSYVAPSA-N 0 1 450.496 -1.067 20 0 JAADMN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001186638556 1067211408 /nfs/dbraw/zinc/21/14/08/1067211408.db2.gz CRRNJMPRNDWVSE-KKUMJFAQSA-N 0 1 496.590 -1.533 20 0 JAADMN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC001186638982 1067211215 /nfs/dbraw/zinc/21/12/15/1067211215.db2.gz MHQUMNKEPOLNJO-JBJRXJHCSA-N 0 1 454.572 -1.374 20 0 JAADMN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@@H]1C(=O)c1ccccc1 ZINC001187226224 1067214519 /nfs/dbraw/zinc/21/45/19/1067214519.db2.gz UYYOSHHSFRCGTH-GZWPXPJTSA-N 0 1 454.443 -1.088 20 0 JAADMN CN1CCN(Cc2ccccc2C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001188364552 1067217618 /nfs/dbraw/zinc/21/76/18/1067217618.db2.gz CJEONCDTHDDYNU-XLBJILASSA-N 0 1 458.519 -1.135 20 0 JAADMN COc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1OC ZINC001189568689 1067220723 /nfs/dbraw/zinc/22/07/23/1067220723.db2.gz KKSBPQGHTKNTKO-GJZGRUSLSA-N 0 1 494.530 -1.108 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccn(C)c(=O)c1)c(N)nc2=O ZINC001189647744 1067220387 /nfs/dbraw/zinc/22/03/87/1067220387.db2.gz LIOHBCIBWUMOEA-DZGCQCFKSA-N 0 1 489.489 -1.576 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccn(C)c(=O)c1)c(N)nc2=O ZINC001189647751 1067220250 /nfs/dbraw/zinc/22/02/50/1067220250.db2.gz LIOHBCIBWUMOEA-ZFWWWQNUSA-N 0 1 489.489 -1.576 20 0 JAADMN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)c2ncc[nH]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001190748890 1067222884 /nfs/dbraw/zinc/22/28/84/1067222884.db2.gz MDULLNKLBTYBAW-OXGONZEZSA-N 0 1 477.448 -1.229 20 0 JAADMN CN1CCN(c2cc(Br)ccc2C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001194611962 1067229975 /nfs/dbraw/zinc/22/99/75/1067229975.db2.gz URMLIYFGIILXGC-HBPKQKSZSA-N 0 1 460.325 -1.269 20 0 JAADMN CN1CCN(c2cc(Br)ccc2C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001194611963 1067229850 /nfs/dbraw/zinc/22/98/50/1067229850.db2.gz URMLIYFGIILXGC-XSDHEKCYSA-N 0 1 460.325 -1.269 20 0 JAADMN C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cc2Cl)CC1 ZINC001194696204 1067229878 /nfs/dbraw/zinc/22/98/78/1067229878.db2.gz ICUSBPNCWITMEZ-HBPKQKSZSA-N 0 1 495.938 -1.551 20 0 JAADMN C[NH+]1CCN(c2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cc2Cl)CC1 ZINC001194696216 1067230071 /nfs/dbraw/zinc/23/00/71/1067230071.db2.gz ICUSBPNCWITMEZ-XSDHEKCYSA-N 0 1 495.938 -1.551 20 0 JAADMN C[N@H+]1CCCN(Cc2cccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2)CC1 ZINC001197521314 1067236505 /nfs/dbraw/zinc/23/65/05/1067236505.db2.gz STCPQASCVLNLLF-HGJKNBTDSA-N 0 1 489.547 -1.819 20 0 JAADMN C[N@H+]1CCCN(Cc2cccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2)CC1 ZINC001197521316 1067236878 /nfs/dbraw/zinc/23/68/78/1067236878.db2.gz STCPQASCVLNLLF-VBEQINLCSA-N 0 1 489.547 -1.819 20 0 JAADMN C[NH+]1CCN(c2cnccc2C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001198157496 1067238157 /nfs/dbraw/zinc/23/81/57/1067238157.db2.gz HBXNZTLWNVSLLI-DRXUAVOGSA-N 0 1 462.481 -2.810 20 0 JAADMN C[NH+]1CCN(c2cnccc2C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001198157497 1067237844 /nfs/dbraw/zinc/23/78/44/1067237844.db2.gz HBXNZTLWNVSLLI-IETPZCKNSA-N 0 1 462.481 -2.810 20 0 JAADMN C=CS(=O)(=O)Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001198569824 1067237782 /nfs/dbraw/zinc/23/77/82/1067237782.db2.gz NMWIVFOQTDUUHJ-IOSLPCCCSA-N 0 1 483.244 -1.072 20 0 JAADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(N2CCCNC2=O)ncn1 ZINC001199428650 1067239838 /nfs/dbraw/zinc/23/98/38/1067239838.db2.gz YBQKHZKDUNQJOM-GJZGRUSLSA-N 0 1 455.479 -1.063 20 0 JAADMN COC(=O)c1ccc(CS(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001201237504 1067241309 /nfs/dbraw/zinc/24/13/09/1067241309.db2.gz UXUFHSUKVNQYCA-DTZQCDIJSA-N 0 1 455.445 -1.526 20 0 JAADMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 ZINC001201853361 1067242785 /nfs/dbraw/zinc/24/27/85/1067242785.db2.gz KGXGVQMAZPTTRJ-GJGATLCTSA-N 0 1 470.456 -1.152 20 0 JAADMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1 ZINC001201853947 1067242740 /nfs/dbraw/zinc/24/27/40/1067242740.db2.gz KGXGVQMAZPTTRJ-DIKXUDHVSA-N 0 1 470.456 -1.152 20 0 JAADMN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001209273813 1067339968 /nfs/dbraw/zinc/33/99/68/1067339968.db2.gz VGTKHAAKRTVPMR-FKPGQJDZSA-N 0 1 451.524 -1.067 20 0 JAADMN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001209273818 1067340244 /nfs/dbraw/zinc/34/02/44/1067340244.db2.gz VGTKHAAKRTVPMR-SHJAMOMRSA-N 0 1 451.524 -1.067 20 0 JAADMN Cn1nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c2ccc(Br)cc21 ZINC001218509015 1067341222 /nfs/dbraw/zinc/34/12/22/1067341222.db2.gz VNQFFHYXPUTIJI-UHFFFAOYSA-N 0 1 454.285 -1.418 20 0 JAADMN COC(=O)c1nc(Br)cnc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218525302 1067341194 /nfs/dbraw/zinc/34/11/94/1067341194.db2.gz UJQPYNVPBPTFMW-UHFFFAOYSA-N 0 1 460.245 -2.729 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nccc(Cl)c1I ZINC001218530706 1067341404 /nfs/dbraw/zinc/34/14/04/1067341404.db2.gz WAHNORHUCLAVGN-UHFFFAOYSA-N 0 1 482.666 -1.415 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cncnc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC001218537622 1067341250 /nfs/dbraw/zinc/34/12/50/1067341250.db2.gz WYPIWJMNFKQGQK-GOSISDBHSA-N 0 1 498.544 -1.704 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001218537623 1067341462 /nfs/dbraw/zinc/34/14/62/1067341462.db2.gz WYPIWJMNFKQGQK-SFHVURJKSA-N 0 1 498.544 -1.704 20 0 JAADMN CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218548926 1067341124 /nfs/dbraw/zinc/34/11/24/1067341124.db2.gz MAOLGCRSJKADSE-UHFFFAOYSA-N 0 1 473.490 -1.646 20 0 JAADMN CCN(CC)c1nc(Br)cnc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218574172 1067341330 /nfs/dbraw/zinc/34/13/30/1067341330.db2.gz XJQXCNNEPNSUKZ-UHFFFAOYSA-N 0 1 473.332 -1.669 20 0 JAADMN CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218595286 1067341355 /nfs/dbraw/zinc/34/13/55/1067341355.db2.gz PBRUADUTPQJITO-UHFFFAOYSA-N 0 1 481.495 -2.731 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncc(Br)cc1OC(F)F ZINC001218598012 1067341277 /nfs/dbraw/zinc/34/12/77/1067341277.db2.gz CRKXUJHCIVVRDL-UHFFFAOYSA-N 0 1 467.227 -1.309 20 0 JAADMN Cc1nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c(Br)nc1Br ZINC001218605789 1067340967 /nfs/dbraw/zinc/34/09/67/1067340967.db2.gz KHOPXOWIMXEEJO-UHFFFAOYSA-N 0 1 495.132 -1.444 20 0 JAADMN CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218615569 1067341164 /nfs/dbraw/zinc/34/11/64/1067341164.db2.gz VRDPXVFFGXHRMX-UHFFFAOYSA-N 0 1 473.490 -1.646 20 0 JAADMN COC(=O)[C@@H]([NH3+])CCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218632049 1067342386 /nfs/dbraw/zinc/34/23/86/1067342386.db2.gz JTMOZOSCQAKPNW-IKODOCNWSA-N 0 1 472.351 -1.181 20 0 JAADMN COC(=O)[C@@H]([NH3+])CCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218632053 1067342617 /nfs/dbraw/zinc/34/26/17/1067342617.db2.gz JTMOZOSCQAKPNW-UIYZLDOQSA-N 0 1 472.351 -1.181 20 0 JAADMN CC(=O)OC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218633431 1067342977 /nfs/dbraw/zinc/34/29/77/1067342977.db2.gz UBJRPDSWQHFORU-NTFFAHPLSA-N 0 1 458.324 -1.571 20 0 JAADMN CC(=O)OC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218633432 1067343072 /nfs/dbraw/zinc/34/30/72/1067343072.db2.gz UBJRPDSWQHFORU-OSQRPLQGSA-N 0 1 458.324 -1.571 20 0 JAADMN N[C@@H](CSCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218634669 1067343635 /nfs/dbraw/zinc/34/36/35/1067343635.db2.gz YQLYLGLGPLFLTG-NTFFAHPLSA-N 0 1 475.424 -1.442 20 0 JAADMN N[C@@H](CSCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218634672 1067343468 /nfs/dbraw/zinc/34/34/68/1067343468.db2.gz YQLYLGLGPLFLTG-OSQRPLQGSA-N 0 1 475.424 -1.442 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(CC1CC1)c1nc(Br)cnc1N ZINC001218635999 1067344033 /nfs/dbraw/zinc/34/40/33/1067344033.db2.gz SKFPGXCVZNUBJF-UHFFFAOYSA-N 0 1 471.316 -2.128 20 0 JAADMN CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218650791 1067344097 /nfs/dbraw/zinc/34/40/97/1067344097.db2.gz XRCJGFDLKPSPNJ-UHFFFAOYSA-N 0 1 464.266 -1.794 20 0 JAADMN COC(=O)c1sc2nc(C)ccc2c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218659344 1067344266 /nfs/dbraw/zinc/34/42/66/1067344266.db2.gz FWTRSHPALGCEMN-UHFFFAOYSA-N 0 1 450.477 -1.363 20 0 JAADMN CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218661226 1067343923 /nfs/dbraw/zinc/34/39/23/1067343923.db2.gz SSPBGXMAAZUQGU-UHFFFAOYSA-N 0 1 477.453 -1.566 20 0 JAADMN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218661602 1067343944 /nfs/dbraw/zinc/34/39/44/1067343944.db2.gz XOTXMMLMBGPLKK-UHFFFAOYSA-N 0 1 460.451 -2.641 20 0 JAADMN COc1ccc(-n2nc3c(c2NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CSC3)cc1 ZINC001218667176 1067344240 /nfs/dbraw/zinc/34/42/40/1067344240.db2.gz AMXMWHJGWVICAW-UHFFFAOYSA-N 0 1 475.531 -1.127 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(I)c2nccn2c1 ZINC001218674837 1067344054 /nfs/dbraw/zinc/34/40/54/1067344054.db2.gz HOHKXSPKKHFVQM-UHFFFAOYSA-N 0 1 487.258 -1.815 20 0 JAADMN COc1ccc(N)c(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2COC(C)(C)OC2)n1 ZINC001218686736 1067343993 /nfs/dbraw/zinc/34/39/93/1067343993.db2.gz ZJCZBNGDJSJNSX-UHFFFAOYSA-N 0 1 481.510 -2.536 20 0 JAADMN CSc1nc(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)n2ccnc12 ZINC001218688534 1067344187 /nfs/dbraw/zinc/34/41/87/1067344187.db2.gz OLZXATBYHKTCAU-UHFFFAOYSA-N 0 1 487.340 -1.541 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnn1-c1cccc(Br)c1 ZINC001218729912 1067344013 /nfs/dbraw/zinc/34/40/13/1067344013.db2.gz HEIVFBYRCVFYNH-UHFFFAOYSA-N 0 1 466.296 -1.119 20 0 JAADMN COC(=O)c1cc(Br)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001218733413 1067343868 /nfs/dbraw/zinc/34/38/68/1067343868.db2.gz FBXSHSMRCAOOJE-UHFFFAOYSA-N 0 1 459.257 -2.124 20 0 JAADMN CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001218734525 1067343840 /nfs/dbraw/zinc/34/38/40/1067343840.db2.gz FNRYKQHBZGSVOP-UHFFFAOYSA-N 0 1 464.527 -2.304 20 0 JAADMN CCOC(=O)c1noc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1-c1ccccc1 ZINC001218747284 1067344078 /nfs/dbraw/zinc/34/40/78/1067344078.db2.gz BFGVJTPWGPSIRW-UHFFFAOYSA-N 0 1 460.447 -1.236 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnc2c(Cl)nc(Br)cn12 ZINC001218760279 1067344569 /nfs/dbraw/zinc/34/45/69/1067344569.db2.gz FGEOPEMIEWBHHP-UHFFFAOYSA-N 0 1 475.691 -1.609 20 0 JAADMN COC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218761242 1067344431 /nfs/dbraw/zinc/34/44/31/1067344431.db2.gz FNUQWAXFSUTTSG-UHFFFAOYSA-N 0 1 488.476 -1.156 20 0 JAADMN COC(=O)c1sc2cc(OC)c(OC)cc2c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218764643 1067344394 /nfs/dbraw/zinc/34/43/94/1067344394.db2.gz RCIFXLAORVMIPI-UHFFFAOYSA-N 0 1 495.514 -1.049 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2nc(-c3ccccc3F)nn2c1 ZINC001218795620 1067345052 /nfs/dbraw/zinc/34/50/52/1067345052.db2.gz XYRRKLQJFVJLSM-UHFFFAOYSA-N 0 1 456.438 -1.219 20 0 JAADMN C[S@@](=O)c1nc(Cl)c(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001218799853 1067345026 /nfs/dbraw/zinc/34/50/26/1067345026.db2.gz BQTMXDSFTBGYRD-MUUNZHRXSA-N 0 1 498.747 -2.124 20 0 JAADMN C[S@](=O)c1nc(Cl)c(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001218799854 1067344981 /nfs/dbraw/zinc/34/49/81/1067344981.db2.gz BQTMXDSFTBGYRD-NDEPHWFRSA-N 0 1 498.747 -2.124 20 0 JAADMN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc2)C[C@H](C)O1 ZINC001218821451 1067345545 /nfs/dbraw/zinc/34/55/45/1067345545.db2.gz HNOVYPNEZBQHKH-KBPBESRZSA-N 0 1 498.562 -2.270 20 0 JAADMN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc2)C[C@H](C)O1 ZINC001218821454 1067345625 /nfs/dbraw/zinc/34/56/25/1067345625.db2.gz HNOVYPNEZBQHKH-OKILXGFUSA-N 0 1 498.562 -2.270 20 0 JAADMN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc2)C[C@@H](C)O1 ZINC001218821455 1067345435 /nfs/dbraw/zinc/34/54/35/1067345435.db2.gz HNOVYPNEZBQHKH-ZIAGYGMSSA-N 0 1 498.562 -2.270 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F ZINC001218831435 1067345473 /nfs/dbraw/zinc/34/54/73/1067345473.db2.gz QRIJCYOQXHOCNC-UHFFFAOYSA-N 0 1 458.397 -1.616 20 0 JAADMN CC(C)(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)S(=O)(=O)c1cccc(N)c1 ZINC001218848234 1067345741 /nfs/dbraw/zinc/34/57/41/1067345741.db2.gz PIUOQSJYOVOVAS-UHFFFAOYSA-N 0 1 456.525 -2.108 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccccn1)S(=O)(=O)c1ccc(N)cc1 ZINC001218865192 1067345598 /nfs/dbraw/zinc/34/55/98/1067345598.db2.gz QRQJKDAVEVUURO-UHFFFAOYSA-N 0 1 477.503 -2.307 20 0 JAADMN COC(=O)c1cc(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1OC ZINC001218866295 1067345838 /nfs/dbraw/zinc/34/58/38/1067345838.db2.gz WOHACVITNFKCKH-UHFFFAOYSA-N 0 1 488.295 -1.510 20 0 JAADMN COc1nccn(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875211 1067345764 /nfs/dbraw/zinc/34/57/64/1067345764.db2.gz MXQHJFUHYFILQV-GWCFXTLKSA-N 0 1 465.492 -1.889 20 0 JAADMN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877161 1067346284 /nfs/dbraw/zinc/34/62/84/1067346284.db2.gz PXFRTOFEAAEHLT-VIFPVBQESA-N 0 1 485.972 -1.168 20 0 JAADMN CC(=O)NCSC[C@H](N)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877607 1067346432 /nfs/dbraw/zinc/34/64/32/1067346432.db2.gz UMJLKRTXCRDRQO-QMMMGPOBSA-N 0 1 459.959 -1.273 20 0 JAADMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1 ZINC001218885515 1067346134 /nfs/dbraw/zinc/34/61/34/1067346134.db2.gz SQMOGMDYEJSSIQ-UHFFFAOYSA-N 0 1 486.551 -2.029 20 0 JAADMN Cc1noc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)S(=O)(=O)c2ccc(N)cc2)c1C ZINC001218889126 1067346307 /nfs/dbraw/zinc/34/63/07/1067346307.db2.gz KTEWNTZNWIQNNW-UHFFFAOYSA-N 0 1 495.518 -2.097 20 0 JAADMN COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001218927173 1067346336 /nfs/dbraw/zinc/34/63/36/1067346336.db2.gz AXRKUONHNVGDKM-UHFFFAOYSA-N 0 1 451.415 -2.255 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1nccs1)S(=O)(=O)c1ccc(N)cc1 ZINC001218951009 1067346174 /nfs/dbraw/zinc/34/61/74/1067346174.db2.gz NXZKGHCABZMGFE-UHFFFAOYSA-N 0 1 483.532 -2.246 20 0 JAADMN Cn1nc(Br)c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc21 ZINC001218966024 1067346265 /nfs/dbraw/zinc/34/62/65/1067346265.db2.gz LQTAGUVKNCKXGT-UHFFFAOYSA-N 0 1 454.285 -1.418 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218980505 1067346004 /nfs/dbraw/zinc/34/60/04/1067346004.db2.gz DUIZPXONQDBHTM-UHFFFAOYSA-N 0 1 468.536 -2.142 20 0 JAADMN COC(=O)c1c(C)c(Br)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219158159 1067346407 /nfs/dbraw/zinc/34/64/07/1067346407.db2.gz SAVQEQZEYVVQHT-UHFFFAOYSA-N 0 1 472.296 -1.210 20 0 JAADMN COC(=O)c1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c(OC)c(OC(C)=O)c1 ZINC001219164391 1067346454 /nfs/dbraw/zinc/34/64/54/1067346454.db2.gz ZMBZAXQECJNNJB-UHFFFAOYSA-N 0 1 467.435 -2.347 20 0 JAADMN COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219170238 1067346871 /nfs/dbraw/zinc/34/68/71/1067346871.db2.gz REZUQWQDAHFQJT-UHFFFAOYSA-N 0 1 464.479 -2.444 20 0 JAADMN CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219172973 1067346977 /nfs/dbraw/zinc/34/69/77/1067346977.db2.gz USGRCSFACZDTEI-UHFFFAOYSA-N 0 1 459.463 -1.705 20 0 JAADMN COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219180558 1067346647 /nfs/dbraw/zinc/34/66/47/1067346647.db2.gz ZCKIJNSRSLOFLC-UHFFFAOYSA-N 0 1 477.522 -2.391 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2cnc(Br)n2)cc1 ZINC001219251596 1067347145 /nfs/dbraw/zinc/34/71/45/1067347145.db2.gz DZDACWYEEFSWQG-UHFFFAOYSA-N 0 1 467.284 -1.724 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001219268349 1067346626 /nfs/dbraw/zinc/34/66/26/1067346626.db2.gz HWEHUUFPNSLKFC-UHFFFAOYSA-N 0 1 453.399 -1.774 20 0 JAADMN CN(C)C(=O)c1cc(Br)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219278401 1067347124 /nfs/dbraw/zinc/34/71/24/1067347124.db2.gz NXGKCGYFGYFIBK-UHFFFAOYSA-N 0 1 471.312 -1.603 20 0 JAADMN COC(=O)c1c(F)cc(Br)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1F ZINC001219331103 1067346817 /nfs/dbraw/zinc/34/68/17/1067346817.db2.gz NPXOQDITUYYGPQ-UHFFFAOYSA-N 0 1 494.249 -1.240 20 0 JAADMN CCOC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c2c1OCCO2 ZINC001219375212 1067346896 /nfs/dbraw/zinc/34/68/96/1067346896.db2.gz JWAVPAANLHDXMN-UHFFFAOYSA-N 0 1 451.436 -2.120 20 0 JAADMN CCOC(=O)c1coc(-c2cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c2)n1 ZINC001219419369 1067346792 /nfs/dbraw/zinc/34/67/92/1067346792.db2.gz KIDPKZPSKVEGAW-UHFFFAOYSA-N 0 1 460.447 -1.236 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1S(=O)(=O)COc1ccccc1 ZINC001219448761 1067347101 /nfs/dbraw/zinc/34/71/01/1067347101.db2.gz DMSRYGARRKYSFD-UHFFFAOYSA-N 0 1 491.526 -1.257 20 0 JAADMN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1c(Cl)cncc1=NS(=O)(=O)c1ccc(N)cc1 ZINC001219469601 1067346732 /nfs/dbraw/zinc/34/67/32/1067346732.db2.gz HDPQESPCXUTKGD-CABZTGNLSA-N 0 1 469.911 -1.244 20 0 JAADMN COC(=O)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1cc(Cl)ccc1N ZINC001219511877 1067347170 /nfs/dbraw/zinc/34/71/70/1067347170.db2.gz LGZMOHILVQQWAH-UHFFFAOYSA-N 0 1 456.887 -1.874 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567402 1067347006 /nfs/dbraw/zinc/34/70/06/1067347006.db2.gz JGVVOQFYBIHSLO-UHFFFAOYSA-N 0 1 464.523 -2.679 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001219716094 1067348410 /nfs/dbraw/zinc/34/84/10/1067348410.db2.gz AGTWTHXZGWZYNE-UHFFFAOYSA-N 0 1 466.542 -1.116 20 0 JAADMN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219750272 1067348446 /nfs/dbraw/zinc/34/84/46/1067348446.db2.gz ZSFDPBCNNQAXJW-HOTGVXAUSA-N 0 1 460.539 -1.494 20 0 JAADMN Cc1cccc(Cn2c(=O)ccc3c2CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)n1 ZINC001219887733 1067348747 /nfs/dbraw/zinc/34/87/47/1067348747.db2.gz HQFGHSBUINFXTL-KRWDZBQOSA-N 0 1 497.556 -2.119 20 0 JAADMN Cc1cccc(Cn2c(=O)ccc3c2CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C3)n1 ZINC001219887737 1067348646 /nfs/dbraw/zinc/34/86/46/1067348646.db2.gz HQFGHSBUINFXTL-QGZVFWFLSA-N 0 1 497.556 -2.119 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219896347 1067348850 /nfs/dbraw/zinc/34/88/50/1067348850.db2.gz RTLJEWBUXQYRAX-INIZCTEOSA-N 0 1 486.533 -2.974 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219896348 1067348717 /nfs/dbraw/zinc/34/87/17/1067348717.db2.gz RTLJEWBUXQYRAX-MRXNPFEDSA-N 0 1 486.533 -2.974 20 0 JAADMN COCCn1c(=O)ccc2c1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001219898351 1067348916 /nfs/dbraw/zinc/34/89/16/1067348916.db2.gz KLFBZVCQWVUARK-AWEZNQCLSA-N 0 1 450.496 -3.225 20 0 JAADMN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001219898353 1067349299 /nfs/dbraw/zinc/34/92/99/1067349299.db2.gz KLFBZVCQWVUARK-CQSZACIVSA-N 0 1 450.496 -3.225 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901308 1067349529 /nfs/dbraw/zinc/34/95/29/1067349529.db2.gz HGSHVAUCEJWSFT-AWEZNQCLSA-N 0 1 476.469 -2.594 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901309 1067349326 /nfs/dbraw/zinc/34/93/26/1067349326.db2.gz HGSHVAUCEJWSFT-CQSZACIVSA-N 0 1 476.469 -2.594 20 0 JAADMN COc1ccc(Br)cc1CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219911970 1067349277 /nfs/dbraw/zinc/34/92/77/1067349277.db2.gz RLCRDJZXOSTVQZ-UHFFFAOYSA-N 0 1 458.313 -1.576 20 0 JAADMN COc1ccc(C[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)cc1S(N)(=O)=O ZINC001220041236 1067349406 /nfs/dbraw/zinc/34/94/06/1067349406.db2.gz DOPHVWGFXUSJNB-IPYPFGDCSA-N 0 1 469.564 -1.156 20 0 JAADMN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)c2)cc1 ZINC001220099484 1067349094 /nfs/dbraw/zinc/34/90/94/1067349094.db2.gz OSWQXIAPJRGCRT-GLQYFDAESA-N 0 1 471.517 -1.183 20 0 JAADMN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001220103032 1067349152 /nfs/dbraw/zinc/34/91/52/1067349152.db2.gz CSGLDQONQNNQAI-NOLJZWGESA-N 0 1 453.471 -1.072 20 0 JAADMN CN(C)Cc1nc(CSCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cs1 ZINC001220129014 1067352176 /nfs/dbraw/zinc/35/21/76/1067352176.db2.gz STTQQRQDRMLODH-UHFFFAOYSA-N 0 1 459.598 -2.139 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220266693 1067352390 /nfs/dbraw/zinc/35/23/90/1067352390.db2.gz UOIJLIOSZHJYSH-UHFFFAOYSA-N 0 1 468.536 -2.737 20 0 JAADMN Cn1c(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)nc2cc(C(F)(F)F)ccc21 ZINC001220282193 1067353077 /nfs/dbraw/zinc/35/30/77/1067353077.db2.gz IFUYUUJHRDCSSR-UHFFFAOYSA-N 0 1 457.413 -1.484 20 0 JAADMN CCOC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1cccc2ccccc21 ZINC001220344809 1067353280 /nfs/dbraw/zinc/35/32/80/1067353280.db2.gz BQUXMZVTTVLTIC-NRFANRHFSA-N 0 1 457.487 -1.133 20 0 JAADMN CCOC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1cccc2ccccc21 ZINC001220344810 1067353355 /nfs/dbraw/zinc/35/33/55/1067353355.db2.gz BQUXMZVTTVLTIC-OAQYLSRUSA-N 0 1 457.487 -1.133 20 0 JAADMN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433516 1067353631 /nfs/dbraw/zinc/35/36/31/1067353631.db2.gz AJKTWQZYPCJYNG-YJBOKZPZSA-N 0 1 481.575 -1.222 20 0 JAADMN CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)OC(C)(C)O1 ZINC001220467161 1067353607 /nfs/dbraw/zinc/35/36/07/1067353607.db2.gz OPGZDLLQAKLVFZ-KGLIPLIRSA-N 0 1 487.554 -1.948 20 0 JAADMN COCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001220514582 1067354369 /nfs/dbraw/zinc/35/43/69/1067354369.db2.gz QMYLJUSPZYELTL-OALUTQOASA-N 0 1 457.524 -1.449 20 0 JAADMN COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001220585414 1067354603 /nfs/dbraw/zinc/35/46/03/1067354603.db2.gz KKLDOCZMYSNZQW-INIZCTEOSA-N 0 1 479.534 -1.629 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622089 1067354289 /nfs/dbraw/zinc/35/42/89/1067354289.db2.gz HYMNNVNWPFPKGD-UHFFFAOYSA-N 0 1 469.524 -3.342 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(c2cnc3ccccc3n2)CC1 ZINC001220623208 1067354654 /nfs/dbraw/zinc/35/46/54/1067354654.db2.gz YYMYEIQWRFMTST-UHFFFAOYSA-N 0 1 456.507 -1.978 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc2ncc(Br)cc2c1 ZINC001220632374 1067354267 /nfs/dbraw/zinc/35/42/67/1067354267.db2.gz VQRBQMKFFWBEKD-UHFFFAOYSA-N 0 1 465.308 -1.079 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCc2cc(Br)ccc2C1 ZINC001220649156 1067354624 /nfs/dbraw/zinc/35/46/24/1067354624.db2.gz TVXHMMPLBBCBHF-AWEZNQCLSA-N 0 1 454.325 -1.270 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC001220649157 1067354447 /nfs/dbraw/zinc/35/44/47/1067354447.db2.gz TVXHMMPLBBCBHF-CQSZACIVSA-N 0 1 454.325 -1.270 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1ccc(OCc2ccccn2)cc1 ZINC001220669994 1067354321 /nfs/dbraw/zinc/35/43/21/1067354321.db2.gz AIBJVRRHFUAHNY-UHFFFAOYSA-N 0 1 456.503 -1.373 20 0 JAADMN CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001220677259 1067354946 /nfs/dbraw/zinc/35/49/46/1067354946.db2.gz WPZMSSRVQKOUKH-INIZCTEOSA-N 0 1 463.535 -1.247 20 0 JAADMN Cc1cccc(C2(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCC3(CC2)OCCO3)c1 ZINC001220691957 1067354922 /nfs/dbraw/zinc/35/49/22/1067354922.db2.gz NJIBQTKWJCRJBL-UHFFFAOYSA-N 0 1 489.573 -1.027 20 0 JAADMN CS(=O)(=O)c1cccc([C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c2ccccc2)c1 ZINC001220700434 1067355109 /nfs/dbraw/zinc/35/51/09/1067355109.db2.gz GUPWRESJLGHYDG-JOCHJYFZSA-N 0 1 489.554 -1.397 20 0 JAADMN CS(=O)(=O)c1cccc([C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c2ccccc2)c1 ZINC001220700435 1067355001 /nfs/dbraw/zinc/35/50/01/1067355001.db2.gz GUPWRESJLGHYDG-QFIPXVFZSA-N 0 1 489.554 -1.397 20 0 JAADMN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](N)C(C)(C)O)cc1 ZINC001220766000 1067356123 /nfs/dbraw/zinc/35/61/23/1067356123.db2.gz JRDSMNCYSIWYSP-OAIGWWADSA-N 0 1 476.486 -1.044 20 0 JAADMN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](N)[C@@H](C)O)cc1 ZINC001220766047 1067355863 /nfs/dbraw/zinc/35/58/63/1067355863.db2.gz KSGVXVBRHDHQRM-RLOIABQFSA-N 0 1 462.459 -1.434 20 0 JAADMN COC[C@H](N)C(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001220766148 1067356069 /nfs/dbraw/zinc/35/60/69/1067356069.db2.gz MMUKYQDEYWQBPG-PKMBHRFZSA-N 0 1 462.459 -1.169 20 0 JAADMN CC(=O)OC[C@H](N)C(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001220766352 1067356017 /nfs/dbraw/zinc/35/60/17/1067356017.db2.gz QPVOXLVVVIVHNL-MIGDXVIRSA-N 0 1 490.469 -1.252 20 0 JAADMN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2CNCCO2)cc1 ZINC001220766889 1067356342 /nfs/dbraw/zinc/35/63/42/1067356342.db2.gz YAJCMKQOLHYRNL-FEBARNBZSA-N 0 1 474.470 -1.154 20 0 JAADMN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2CNCCO2)cc1 ZINC001220766890 1067356365 /nfs/dbraw/zinc/35/63/65/1067356365.db2.gz YAJCMKQOLHYRNL-MIGDXVIRSA-N 0 1 474.470 -1.154 20 0 JAADMN CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001220799973 1067356983 /nfs/dbraw/zinc/35/69/83/1067356983.db2.gz JUBDNVQPTJYXAY-AWEZNQCLSA-N 0 1 455.899 -1.762 20 0 JAADMN CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001220799974 1067357030 /nfs/dbraw/zinc/35/70/30/1067357030.db2.gz JUBDNVQPTJYXAY-CQSZACIVSA-N 0 1 455.899 -1.762 20 0 JAADMN COC(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c(Br)c1 ZINC001220847536 1067357075 /nfs/dbraw/zinc/35/70/75/1067357075.db2.gz XCXRSTGBROHYAR-UHFFFAOYSA-N 0 1 472.296 -1.841 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001220919162 1067357711 /nfs/dbraw/zinc/35/77/11/1067357711.db2.gz WIXFNLDRQPUHNE-HNNXBMFYSA-N 0 1 483.367 -1.553 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220924371 1067357692 /nfs/dbraw/zinc/35/76/92/1067357692.db2.gz RRCFXKRNVZWADV-UHFFFAOYSA-N 0 1 464.498 -1.899 20 0 JAADMN COc1cccc(CC2(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCOCC2)c1 ZINC001220941417 1067357510 /nfs/dbraw/zinc/35/75/10/1067357510.db2.gz QXKFDIBBOKNYOI-UHFFFAOYSA-N 0 1 463.535 -1.542 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1(c2ccccc2Br)CCOCC1 ZINC001220944883 1067357340 /nfs/dbraw/zinc/35/73/40/1067357340.db2.gz HEYDNMNVTNVGPX-UHFFFAOYSA-N 0 1 498.378 -1.079 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001220947118 1067357639 /nfs/dbraw/zinc/35/76/39/1067357639.db2.gz VQELFSVJWNKCSZ-UHFFFAOYSA-N 0 1 471.461 -1.554 20 0 JAADMN COCCOc1ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1C(F)(F)F ZINC001220948948 1067357481 /nfs/dbraw/zinc/35/74/81/1067357481.db2.gz LJJZWSLQWNBQGE-UHFFFAOYSA-N 0 1 477.440 -1.346 20 0 JAADMN Cc1cn([C@H]2C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967049 1067357366 /nfs/dbraw/zinc/35/73/66/1067357366.db2.gz PNQPWVIWYJMYJE-GRYWWWGRSA-N 0 1 466.495 -2.524 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC001220985635 1067357392 /nfs/dbraw/zinc/35/73/92/1067357392.db2.gz ZTXNWIJCFWANMI-SHTZXODSSA-N 0 1 476.509 -1.484 20 0 JAADMN COc1ccnc(C2(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCOCC2)c1 ZINC001220990232 1067357541 /nfs/dbraw/zinc/35/75/41/1067357541.db2.gz DNJUKAKGFBEWCQ-UHFFFAOYSA-N 0 1 450.496 -2.438 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001220994722 1067357419 /nfs/dbraw/zinc/35/74/19/1067357419.db2.gz DEECWDYHBQUMPW-UHFFFAOYSA-N 0 1 470.465 -1.541 20 0 JAADMN COCCC1(NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCS(=O)(=O)CC1 ZINC001221028527 1067358392 /nfs/dbraw/zinc/35/83/92/1067358392.db2.gz UKIVBEWXTFLWRE-IRXDYDNUSA-N 0 1 457.549 -1.161 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028704 1067358004 /nfs/dbraw/zinc/35/80/04/1067358004.db2.gz ZNRJREYNMRLZJE-UHFFFAOYSA-N 0 1 468.536 -3.005 20 0 JAADMN COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001221058551 1067357954 /nfs/dbraw/zinc/35/79/54/1067357954.db2.gz JJROYEPOSJHZBT-KRWDZBQOSA-N 0 1 457.487 -1.653 20 0 JAADMN CCn1c2ccccc2nc1N1CCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001221062947 1067358150 /nfs/dbraw/zinc/35/81/50/1067358150.db2.gz GMDUIUFKMRBEJB-HNNXBMFYSA-N 0 1 472.550 -1.552 20 0 JAADMN CCn1c2ccccc2nc1N1CCC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001221062948 1067358343 /nfs/dbraw/zinc/35/83/43/1067358343.db2.gz GMDUIUFKMRBEJB-OAHLLOKOSA-N 0 1 472.550 -1.552 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cncn1Cc1cccc(Br)c1 ZINC001221121892 1067358247 /nfs/dbraw/zinc/35/82/47/1067358247.db2.gz WZPMBSVVRFBECM-UHFFFAOYSA-N 0 1 494.350 -1.383 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cn(Cc2ccccc2C(F)(F)F)cn1 ZINC001221151707 1067358450 /nfs/dbraw/zinc/35/84/50/1067358450.db2.gz IXDSYUBMLRKQMY-UHFFFAOYSA-N 0 1 483.451 -1.126 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221156006 1067358288 /nfs/dbraw/zinc/35/82/88/1067358288.db2.gz WGXAZFVLFGJYDX-UHFFFAOYSA-N 0 1 468.536 -2.460 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1(Cc2ccccc2Br)CCOCC1 ZINC001221179018 1067358221 /nfs/dbraw/zinc/35/82/21/1067358221.db2.gz DQIMJPSNHXXKQV-UHFFFAOYSA-N 0 1 498.378 -1.036 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)Cn1cccn1)C(N)=O ZINC001221232023 1067358642 /nfs/dbraw/zinc/35/86/42/1067358642.db2.gz FNLCRYYJXUJWIC-KKUMJFAQSA-N 0 1 455.585 -1.419 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)Cc1cncn1C)C(N)=O ZINC001221232891 1067359695 /nfs/dbraw/zinc/35/96/95/1067359695.db2.gz ODEQKCNXAGKABQ-JYJNAYRXSA-N 0 1 469.612 -1.340 20 0 JAADMN CCOC(=O)C1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CNC1 ZINC001221234730 1067360817 /nfs/dbraw/zinc/36/08/17/1067360817.db2.gz LAJHSAFZVPSUSJ-KBPBESRZSA-N 0 1 473.596 -1.491 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CC[S@@](C)=O)C(N)=O ZINC001221234949 1067360945 /nfs/dbraw/zinc/36/09/45/1067360945.db2.gz PBWKVAMXBWSHBJ-HTOYBUDMSA-N 0 1 465.642 -1.547 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CC[S@](C)=O)C(N)=O ZINC001221234950 1067360969 /nfs/dbraw/zinc/36/09/69/1067360969.db2.gz PBWKVAMXBWSHBJ-ZXESRUCSSA-N 0 1 465.642 -1.547 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(N)=O ZINC001221235121 1067361319 /nfs/dbraw/zinc/36/13/19/1067361319.db2.gz RWPZPGBDWIHSTN-KKUMJFAQSA-N 0 1 472.612 -1.694 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ncn2c1CNCC2)C(N)=O ZINC001221235146 1067361191 /nfs/dbraw/zinc/36/11/91/1067361191.db2.gz UBACJDJUQSNNMD-KBPBESRZSA-N 0 1 467.596 -1.030 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001221275998 1067361993 /nfs/dbraw/zinc/36/19/93/1067361993.db2.gz MMBMCDKECAOWGB-KRWDZBQOSA-N 0 1 460.535 -1.966 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001221275999 1067361507 /nfs/dbraw/zinc/36/15/07/1067361507.db2.gz MMBMCDKECAOWGB-QGZVFWFLSA-N 0 1 460.535 -1.966 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC001221330734 1067362043 /nfs/dbraw/zinc/36/20/43/1067362043.db2.gz PSPZRFBLYAIBNC-UHFFFAOYSA-N 0 1 475.527 -1.557 20 0 JAADMN CC(C)(C)OC(=O)CCc1ccc(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1 ZINC001221332916 1067361545 /nfs/dbraw/zinc/36/15/45/1067361545.db2.gz NKPCNOXGRMTCSQ-UHFFFAOYSA-N 0 1 477.562 -1.073 20 0 JAADMN Cn1c2ccccc2nc1[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1ccccn1 ZINC001221333508 1067362020 /nfs/dbraw/zinc/36/20/20/1067362020.db2.gz TWSRYUBSLQDRIM-NRFANRHFSA-N 0 1 466.502 -1.519 20 0 JAADMN Cn1c2ccccc2nc1[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1ccccn1 ZINC001221333509 1067361482 /nfs/dbraw/zinc/36/14/82/1067361482.db2.gz TWSRYUBSLQDRIM-OAQYLSRUSA-N 0 1 466.502 -1.519 20 0 JAADMN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349155 1067361448 /nfs/dbraw/zinc/36/14/48/1067361448.db2.gz SDMWDMOJXOAVOS-KKUMJFAQSA-N 0 1 451.528 -1.828 20 0 JAADMN COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001221360425 1067363813 /nfs/dbraw/zinc/36/38/13/1067363813.db2.gz IKAIMAXDSZZHRF-LBPRGKRZSA-N 0 1 487.311 -2.648 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001221364092 1067363902 /nfs/dbraw/zinc/36/39/02/1067363902.db2.gz QGILLKXKUNTGFP-GFCCVEGCSA-N 0 1 461.397 -1.168 20 0 JAADMN COC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1ccc(Br)cc1 ZINC001221364511 1067363663 /nfs/dbraw/zinc/36/36/63/1067363663.db2.gz VXMDZOMFSOTMGX-ZDUSSCGKSA-N 0 1 486.323 -1.523 20 0 JAADMN COc1ccc(CN2C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2=O)c(OC)c1 ZINC001221369483 1067363714 /nfs/dbraw/zinc/36/37/14/1067363714.db2.gz JPCQVJNYGJCBSY-AWEZNQCLSA-N 0 1 478.506 -2.772 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])[C@H]2SC1 ZINC001221382767 1067365945 /nfs/dbraw/zinc/36/59/45/1067365945.db2.gz PBIOCNALZGARJE-IQMYEBEASA-N 0 1 485.548 -2.635 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])[C@H]2SC1 ZINC001221382778 1067366264 /nfs/dbraw/zinc/36/62/64/1067366264.db2.gz PBIOCNALZGARJE-KEMUVXCRSA-N 0 1 485.548 -2.635 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]2SC1 ZINC001221383075 1067366494 /nfs/dbraw/zinc/36/64/94/1067366494.db2.gz SJKLIDGXFCSBDQ-YNHOBRIKSA-N 0 1 499.575 -2.244 20 0 JAADMN O=S(=O)(N[C@H]1CCS(=O)(=O)C12CNC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238242313 1067370115 /nfs/dbraw/zinc/37/01/15/1067370115.db2.gz LMQWWEFXMRYEDQ-HNNXBMFYSA-N 0 1 465.575 -1.485 20 0 JAADMN O=S(=O)(N[C@@H]1CCS(=O)(=O)C12CNC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238242316 1067370189 /nfs/dbraw/zinc/37/01/89/1067370189.db2.gz LMQWWEFXMRYEDQ-OAHLLOKOSA-N 0 1 465.575 -1.485 20 0 JAADMN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[N-]S(=O)(=O)CC[NH3+])cc1 ZINC001238732865 1067370140 /nfs/dbraw/zinc/37/01/40/1067370140.db2.gz JQDHBSWHOUESBO-MWQQHZPXSA-N 0 1 468.488 -1.381 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+]CC3(O)CC[NH2+]CC3)[C@H]2SC1 ZINC001246016841 1067370935 /nfs/dbraw/zinc/37/09/35/1067370935.db2.gz VRMMSXKVSOQYHY-MEBBXXQBSA-N 0 1 484.560 -2.113 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCNC(=O)C1)c(N)nc2=O ZINC001246211195 1067371655 /nfs/dbraw/zinc/37/16/55/1067371655.db2.gz RIZZZCBNIDATNS-DYEKYZERSA-N 0 1 451.484 -1.512 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCNC(=O)C1)c(N)nc2=O ZINC001246211228 1067371438 /nfs/dbraw/zinc/37/14/38/1067371438.db2.gz RIZZZCBNIDATNS-MBNYWOFBSA-N 0 1 451.484 -1.512 20 0 JAADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCNC(=O)C1)c(N)nc2=O ZINC001246211229 1067371748 /nfs/dbraw/zinc/37/17/48/1067371748.db2.gz RIZZZCBNIDATNS-OBJOEFQTSA-N 0 1 451.484 -1.512 20 0 JAADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCNC(=O)C1)c(N)nc2=O ZINC001246211230 1067371726 /nfs/dbraw/zinc/37/17/26/1067371726.db2.gz RIZZZCBNIDATNS-SGMGOOAPSA-N 0 1 451.484 -1.512 20 0 JAADMN COC(=O)[C@@H]1C[C@@H](n2c3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CN1 ZINC001246269616 1067371677 /nfs/dbraw/zinc/37/16/77/1067371677.db2.gz RXJRWRQNSGGDFB-AGIUHOORSA-N 0 1 451.484 -1.248 20 0 JAADMN COC(=O)[C@@H]1C[C@H](n2c3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CN1 ZINC001246269617 1067371524 /nfs/dbraw/zinc/37/15/24/1067371524.db2.gz RXJRWRQNSGGDFB-AVGNSLFASA-N 0 1 451.484 -1.248 20 0 JAADMN COC(=O)[C@H]1C[C@@H](n2c3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CN1 ZINC001246269618 1067371595 /nfs/dbraw/zinc/37/15/95/1067371595.db2.gz RXJRWRQNSGGDFB-UPJWGTAASA-N 0 1 451.484 -1.248 20 0 JAADMN COC(=O)[C@H]1C[C@H](n2c3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CN1 ZINC001246269619 1067371364 /nfs/dbraw/zinc/37/13/64/1067371364.db2.gz RXJRWRQNSGGDFB-XQQFMLRXSA-N 0 1 451.484 -1.248 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246499785 1067373206 /nfs/dbraw/zinc/37/32/06/1067373206.db2.gz FQWPCCAIZUUHLX-GLKRBJQHSA-N 0 1 495.587 -2.133 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246499788 1067373280 /nfs/dbraw/zinc/37/32/80/1067373280.db2.gz FQWPCCAIZUUHLX-LYOVBCGYSA-N 0 1 495.587 -2.133 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246500417 1067373073 /nfs/dbraw/zinc/37/30/73/1067373073.db2.gz IAWDVFUUWLHNFM-GLKRBJQHSA-N 0 1 480.572 -1.085 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246500424 1067373390 /nfs/dbraw/zinc/37/33/90/1067373390.db2.gz IAWDVFUUWLHNFM-LYOVBCGYSA-N 0 1 480.572 -1.085 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246500919 1067373588 /nfs/dbraw/zinc/37/35/88/1067373588.db2.gz JAEYVPSVHUNQCK-GLKRBJQHSA-N 0 1 496.571 -1.706 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246500936 1067373353 /nfs/dbraw/zinc/37/33/53/1067373353.db2.gz JAEYVPSVHUNQCK-LYOVBCGYSA-N 0 1 496.571 -1.706 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@H]2SC1 ZINC001246501042 1067373468 /nfs/dbraw/zinc/37/34/68/1067373468.db2.gz KAESBPCORYAZHC-QXGGFHQTSA-N 0 1 480.572 -1.229 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@H]2SC1 ZINC001246501048 1067373436 /nfs/dbraw/zinc/37/34/36/1067373436.db2.gz KAESBPCORYAZHC-YDJLFDSPSA-N 0 1 480.572 -1.229 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246501105 1067374079 /nfs/dbraw/zinc/37/40/79/1067374079.db2.gz KMNOVTVTQBSVCO-FEUHOPSXSA-N 0 1 498.612 -1.380 20 0 JAADMN Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CSC4(C[NH2+]C4)C3)[C@H]2SC1 ZINC001246501106 1067374241 /nfs/dbraw/zinc/37/42/41/1067374241.db2.gz KMNOVTVTQBSVCO-IQMDTDKHSA-N 0 1 498.612 -1.380 20 0 JAADMN COc1ccc(Br)c(-c2noc(CNC(=O)CNC(=O)CNC(=O)CN)n2)n1 ZINC001248546519 1067375117 /nfs/dbraw/zinc/37/51/17/1067375117.db2.gz DNFLPILWROMVAH-UHFFFAOYSA-N 0 1 456.257 -1.290 20 0 JAADMN COc1cc(Br)cnc1-c1noc(CNC(=O)CNC(=O)CNC(=O)CN)n1 ZINC001248546780 1067375092 /nfs/dbraw/zinc/37/50/92/1067375092.db2.gz HBOWFURJLLOGAI-UHFFFAOYSA-N 0 1 456.257 -1.290 20 0 JAADMN CN(C)c1ncc(-c2noc(CNC(=O)CNC(=O)CNC(=O)CN)n2)cc1Br ZINC001248548081 1067374896 /nfs/dbraw/zinc/37/48/96/1067374896.db2.gz XFSUUZVXMPOGIC-UHFFFAOYSA-N 0 1 469.300 -1.233 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc(I)nc2)no1 ZINC001248548101 1067374931 /nfs/dbraw/zinc/37/49/31/1067374931.db2.gz XSDJJZYYNVLBGW-UHFFFAOYSA-N 0 1 473.231 -1.457 20 0 JAADMN COc1ncc(-c2noc(CNC(=O)CNC(=O)CNC(=O)CN)n2)cc1Br ZINC001248548122 1067375139 /nfs/dbraw/zinc/37/51/39/1067375139.db2.gz YCUGVVLSAIOPDC-UHFFFAOYSA-N 0 1 456.257 -1.290 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCc1nc(-c2nccc(I)c2F)no1 ZINC001248548134 1067374846 /nfs/dbraw/zinc/37/48/46/1067374846.db2.gz YJAYDYDRIUIKBZ-UHFFFAOYSA-N 0 1 491.221 -1.317 20 0 JAADMN NCC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccn3c(Br)cnc3c2)no1 ZINC001248548178 1067374953 /nfs/dbraw/zinc/37/49/53/1067374953.db2.gz YVLDRWRZQRMJQY-UHFFFAOYSA-N 0 1 465.268 -1.046 20 0 JAADMN COc1cnc(-c2noc(CNC(=O)CNC(=O)CNC(=O)CN)n2)c(Br)c1 ZINC001248548250 1067375001 /nfs/dbraw/zinc/37/50/01/1067375001.db2.gz ZUWBIPKRRWZKHH-UHFFFAOYSA-N 0 1 456.257 -1.290 20 0 JAADMN CC(C)(C)OC(=O)N1CCC(O)(CN[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001250953572 1067375619 /nfs/dbraw/zinc/37/56/19/1067375619.db2.gz PQAGFWVJGMSPJV-DTZQCDIJSA-N 0 1 456.496 -1.080 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@@H](O)CN1CCOCC1)C(N)=O ZINC001251046662 1067375727 /nfs/dbraw/zinc/37/57/27/1067375727.db2.gz OCOIFXOZELMONE-IKGGRYGDSA-N 0 1 461.629 -1.477 20 0 JAADMN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@H](O)CN1CCOCC1)C(N)=O ZINC001251046665 1067375805 /nfs/dbraw/zinc/37/58/05/1067375805.db2.gz OCOIFXOZELMONE-ULQDDVLXSA-N 0 1 461.629 -1.477 20 0 JAADMN CN(C)S(=O)(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001251056633 1067375937 /nfs/dbraw/zinc/37/59/37/1067375937.db2.gz ZJWJWHFJVUCQEN-IOSLPCCCSA-N 0 1 453.275 -1.581 20 0 JAADMN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C1 ZINC001251347220 1067375910 /nfs/dbraw/zinc/37/59/10/1067375910.db2.gz KLVUYEUJFFPWKA-RLXLNCQISA-N 0 1 456.496 -1.080 20 0 JAADMN CC(C)(C)OC(=O)N1CCC[C@@](O)(CN[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C1 ZINC001251347222 1067375999 /nfs/dbraw/zinc/37/59/99/1067375999.db2.gz KLVUYEUJFFPWKA-YJJXHOGASA-N 0 1 456.496 -1.080 20 0 JAADMN COC(=O)[C@@H](O)CN[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001252444587 1067376928 /nfs/dbraw/zinc/37/69/28/1067376928.db2.gz MWDZRWQRSAJBLG-QBBQCFRVSA-N 0 1 463.443 -1.135 20 0 JAADMN COC(=O)[C@H](O)CN[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001252444588 1067376607 /nfs/dbraw/zinc/37/66/07/1067376607.db2.gz MWDZRWQRSAJBLG-RTKZEXODSA-N 0 1 463.443 -1.135 20 0 JAADMN CCOC(=O)CNC(=O)CNC(=O)CNC[C@@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253336375 1067377997 /nfs/dbraw/zinc/37/79/97/1067377997.db2.gz ZUQOYPDADPQQRT-HNNXBMFYSA-N 0 1 474.555 -1.116 20 0 JAADMN CCOC(=O)CNC(=O)CNC(=O)CNC[C@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253336376 1067378180 /nfs/dbraw/zinc/37/81/80/1067378180.db2.gz ZUQOYPDADPQQRT-OAHLLOKOSA-N 0 1 474.555 -1.116 20 0 JAADMN CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)CNCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001253341806 1067377973 /nfs/dbraw/zinc/37/79/73/1067377973.db2.gz FMMQLSOTMCYTLZ-CVEARBPZSA-N 0 1 485.582 -1.319 20 0 JAADMN CC(C)(C)OC(=O)N1CCC(O)(C[C@H](O)CNCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001253341807 1067377820 /nfs/dbraw/zinc/37/78/20/1067377820.db2.gz FMMQLSOTMCYTLZ-HOTGVXAUSA-N 0 1 485.582 -1.319 20 0 JAADMN C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N[C@H]1CCCOC1)[C@@H](C)O)C(N)=O ZINC001254368703 1067380401 /nfs/dbraw/zinc/38/04/01/1067380401.db2.gz UDUZIDSRRSUROM-DLEIETQISA-N 0 1 497.593 -2.163 20 0 JAADMN C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N[C@@H]1CCCOC1)[C@@H](C)O)C(N)=O ZINC001254368712 1067380634 /nfs/dbraw/zinc/38/06/34/1067380634.db2.gz UDUZIDSRRSUROM-JCTPFYOHSA-N 0 1 497.593 -2.163 20 0 JAADMN COC[C@H](C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O ZINC001255560816 1067382199 /nfs/dbraw/zinc/38/21/99/1067382199.db2.gz JNYLDCKGMYTGPL-FZANTTLGSA-N 0 1 485.582 -2.307 20 0 JAADMN COC[C@@H](C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O ZINC001255560832 1067381882 /nfs/dbraw/zinc/38/18/82/1067381882.db2.gz JNYLDCKGMYTGPL-VKXCEXFMSA-N 0 1 485.582 -2.307 20 0 JAADMN CC(C)(C)OC(=O)N1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C1 ZINC001255588401 1067382134 /nfs/dbraw/zinc/38/21/34/1067382134.db2.gz LEMYCWXLOGLZMY-QTKMUVPMSA-N 0 1 451.484 -1.065 20 0 JAADMN CC(C)(C)OC(=O)N1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C1 ZINC001255588655 1067382013 /nfs/dbraw/zinc/38/20/13/1067382013.db2.gz LEMYCWXLOGLZMY-YXUMDAIYSA-N 0 1 451.484 -1.065 20 0 JAADMN CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001255999215 1067381899 /nfs/dbraw/zinc/38/18/99/1067381899.db2.gz JDCJXSBYLSHOHX-JSPVNYKOSA-N 0 1 473.497 -1.742 20 0 JAADMN CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001255999218 1067381806 /nfs/dbraw/zinc/38/18/06/1067381806.db2.gz JDCJXSBYLSHOHX-YFTGLANFSA-N 0 1 473.497 -1.742 20 0 JAADMN COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001256264329 1067382393 /nfs/dbraw/zinc/38/23/93/1067382393.db2.gz GRNJRMJQDJJTGL-ABSFLJTASA-N 0 1 486.496 -2.246 20 0 JAADMN COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001256264330 1067382347 /nfs/dbraw/zinc/38/23/47/1067382347.db2.gz GRNJRMJQDJJTGL-IYENUQLMSA-N 0 1 486.496 -2.246 20 0 JAADMN COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001256264331 1067382702 /nfs/dbraw/zinc/38/27/02/1067382702.db2.gz GRNJRMJQDJJTGL-SBOCVRRWSA-N 0 1 486.496 -2.246 20 0 JAADMN COC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001256264332 1067382638 /nfs/dbraw/zinc/38/26/38/1067382638.db2.gz GRNJRMJQDJJTGL-SSEIMGICSA-N 0 1 486.496 -2.246 20 0 JAADMN COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001257925354 1067384021 /nfs/dbraw/zinc/38/40/21/1067384021.db2.gz FOCXXEFKZLYOCO-RFGFWPKPSA-N 0 1 451.542 -1.097 20 0 JAADMN COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001257925355 1067383874 /nfs/dbraw/zinc/38/38/74/1067383874.db2.gz FOCXXEFKZLYOCO-XUXIUFHCSA-N 0 1 451.542 -1.097 20 0 JAADMN COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001257929026 1067384052 /nfs/dbraw/zinc/38/40/52/1067384052.db2.gz DAMPBLFAPFGGFE-COXVUDFISA-N 0 1 473.548 -1.388 20 0 JAADMN COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001257929029 1067383896 /nfs/dbraw/zinc/38/38/96/1067383896.db2.gz DAMPBLFAPFGGFE-JQFCIGGWSA-N 0 1 473.548 -1.388 20 0 JAADMN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)C(=O)C2 ZINC001258977356 1067384433 /nfs/dbraw/zinc/38/44/33/1067384433.db2.gz UNWIVIDTXUQPOF-OYDWMGCWSA-N 0 1 457.505 -1.117 20 0 JAADMN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)C(=O)C2 ZINC001258991283 1067384909 /nfs/dbraw/zinc/38/49/09/1067384909.db2.gz UNWIVIDTXUQPOF-WAVXZOTDSA-N 0 1 457.505 -1.117 20 0 JAADMN COC(=O)CS(=O)(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001259033077 1067384774 /nfs/dbraw/zinc/38/47/74/1067384774.db2.gz ZHHDZGLIMDFJBN-BNEJOLLZSA-N 0 1 497.482 -1.166 20 0 JAADMN NS(=O)(=O)Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001260075011 1067387248 /nfs/dbraw/zinc/38/72/48/1067387248.db2.gz SSNXZVDETNNGJC-UUOKFMHZSA-N 0 1 472.221 -2.342 20 0 JAADMN NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181730 1067387856 /nfs/dbraw/zinc/38/78/56/1067387856.db2.gz JEVDKVADZJNUKS-NSHDSACASA-N 0 1 453.868 -1.026 20 0 JAADMN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181870 1067387919 /nfs/dbraw/zinc/38/79/19/1067387919.db2.gz OCFCMLYYVUUCKC-CIUDSAMLSA-N 0 1 461.888 -1.373 20 0 JAADMN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1nc2nc(Cl)ccn2n1)C(N)=O ZINC001260182522 1067387562 /nfs/dbraw/zinc/38/75/62/1067387562.db2.gz FWANJHSUXLSPSS-LQJRIPTKSA-N 0 1 497.921 -1.276 20 0 JAADMN NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260182581 1067387879 /nfs/dbraw/zinc/38/78/79/1067387879.db2.gz ITJGZKUHQNTDMJ-RYUDHWBXSA-N 0 1 483.894 -1.665 20 0 JAADMN Cc1cn([C@H]2C[C@H](NS(=O)(=O)c3nc4nc(Cl)ccn4n3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001260182743 1067387768 /nfs/dbraw/zinc/38/77/68/1067387768.db2.gz NVWLZZORYVPMHD-IQJOONFLSA-N 0 1 457.856 -1.025 20 0 JAADMN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260182958 1067387790 /nfs/dbraw/zinc/38/77/90/1067387790.db2.gz YWVXMUKCDBQUMY-RYUDHWBXSA-N 0 1 467.895 -1.370 20 0 JAADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260182988 1067387643 /nfs/dbraw/zinc/38/76/43/1067387643.db2.gz ZPOUSPNZRQWYOY-NSHDSACASA-N 0 1 453.868 -1.026 20 0 JAADMN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CNS(=O)(=O)c1c(F)cccc1F)C2 ZINC001296448504 1067397744 /nfs/dbraw/zinc/39/77/44/1067397744.db2.gz NDFIZFGGWZMIDE-UHFFFAOYSA-N 0 1 458.447 -1.268 20 0 JAADMN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001299314480 1067104608 /nfs/dbraw/zinc/10/46/08/1067104608.db2.gz HXPIFYGUYFVOGX-CVEARBPZSA-N 0 1 491.640 -1.165 20 0 JAADMN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001299314481 1067104431 /nfs/dbraw/zinc/10/44/31/1067104431.db2.gz HXPIFYGUYFVOGX-HOTGVXAUSA-N 0 1 491.640 -1.165 20 0 JAADMN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001299314482 1067104555 /nfs/dbraw/zinc/10/45/55/1067104555.db2.gz HXPIFYGUYFVOGX-HZPDHXFCSA-N 0 1 491.640 -1.165 20 0 JAADMN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001299314483 1067104738 /nfs/dbraw/zinc/10/47/38/1067104738.db2.gz HXPIFYGUYFVOGX-JKSUJKDBSA-N 0 1 491.640 -1.165 20 0 JAADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCCN1CCCO ZINC001303873411 1067414568 /nfs/dbraw/zinc/41/45/68/1067414568.db2.gz YAPOWTKSTHMUQO-CABCVRRESA-N 0 1 464.614 -1.030 20 0 JAADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCCN1CCCO ZINC001303873414 1067414503 /nfs/dbraw/zinc/41/45/03/1067414503.db2.gz YAPOWTKSTHMUQO-GJZGRUSLSA-N 0 1 464.614 -1.030 20 0 JAADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCCN1CCCO ZINC001303873416 1067414525 /nfs/dbraw/zinc/41/45/25/1067414525.db2.gz YAPOWTKSTHMUQO-HUUCEWRRSA-N 0 1 464.614 -1.030 20 0 JAADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCCN1CCCO ZINC001303873417 1067414445 /nfs/dbraw/zinc/41/44/45/1067414445.db2.gz YAPOWTKSTHMUQO-LSDHHAIUSA-N 0 1 464.614 -1.030 20 0 JAADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)C1 ZINC001307320445 1067416688 /nfs/dbraw/zinc/41/66/88/1067416688.db2.gz ZBCAJVKBJSUFAO-KRWDZBQOSA-N 0 1 453.540 -1.028 20 0 JAADMN CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)C1 ZINC001307320451 1067416785 /nfs/dbraw/zinc/41/67/85/1067416785.db2.gz ZBCAJVKBJSUFAO-QGZVFWFLSA-N 0 1 453.540 -1.028 20 0 JAADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946741 1067419942 /nfs/dbraw/zinc/41/99/42/1067419942.db2.gz FLYZZRBEBJVSRT-DLBZAZTESA-N 0 1 489.668 -1.054 20 0 JAADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946742 1067419979 /nfs/dbraw/zinc/41/99/79/1067419979.db2.gz FLYZZRBEBJVSRT-IAGOWNOFSA-N 0 1 489.668 -1.054 20 0 JAADMN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946743 1067420044 /nfs/dbraw/zinc/42/00/44/1067420044.db2.gz FLYZZRBEBJVSRT-IRXDYDNUSA-N 0 1 489.668 -1.054 20 0 JAADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946744 1067420033 /nfs/dbraw/zinc/42/00/33/1067420033.db2.gz FLYZZRBEBJVSRT-SJORKVTESA-N 0 1 489.668 -1.054 20 0 JAADMN CN1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922349 1067424702 /nfs/dbraw/zinc/42/47/02/1067424702.db2.gz CHBXZGSWBZANJJ-PBHICJAKSA-N 0 1 462.598 -1.754 20 0 JAADMN CN1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922350 1067424693 /nfs/dbraw/zinc/42/46/93/1067424693.db2.gz CHBXZGSWBZANJJ-RHSMWYFYSA-N 0 1 462.598 -1.754 20 0 JAADMN CN1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922351 1067424609 /nfs/dbraw/zinc/42/46/09/1067424609.db2.gz CHBXZGSWBZANJJ-WMLDXEAASA-N 0 1 462.598 -1.754 20 0 JAADMN CN1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922352 1067424569 /nfs/dbraw/zinc/42/45/69/1067424569.db2.gz CHBXZGSWBZANJJ-YOEHRIQHSA-N 0 1 462.598 -1.754 20 0 JAADMN COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001316068662 1067429786 /nfs/dbraw/zinc/42/97/86/1067429786.db2.gz RRKICTMKHOMRNV-UHFFFAOYSA-N 0 1 494.597 -1.498 20 0 JAADMN COCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1C ZINC001316133122 1067430402 /nfs/dbraw/zinc/43/04/02/1067430402.db2.gz KCVLZEAXGNZYST-CVEARBPZSA-N 0 1 473.600 -1.144 20 0 JAADMN COCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001316133130 1067430364 /nfs/dbraw/zinc/43/03/64/1067430364.db2.gz KCVLZEAXGNZYST-HOTGVXAUSA-N 0 1 473.600 -1.144 20 0 JAADMN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1C ZINC001316133132 1067430389 /nfs/dbraw/zinc/43/03/89/1067430389.db2.gz KCVLZEAXGNZYST-HZPDHXFCSA-N 0 1 473.600 -1.144 20 0 JAADMN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001316133134 1067430288 /nfs/dbraw/zinc/43/02/88/1067430288.db2.gz KCVLZEAXGNZYST-JKSUJKDBSA-N 0 1 473.600 -1.144 20 0 JAADMN CS(=O)(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 ZINC001316362186 1067433761 /nfs/dbraw/zinc/43/37/61/1067433761.db2.gz IAPOSDOKDRCDID-INIZCTEOSA-N 0 1 491.640 -1.165 20 0 JAADMN CS(=O)(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 ZINC001316362199 1067433832 /nfs/dbraw/zinc/43/38/32/1067433832.db2.gz IAPOSDOKDRCDID-MRXNPFEDSA-N 0 1 491.640 -1.165 20 0 JAADMN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 ZINC001336861723 1067437922 /nfs/dbraw/zinc/43/79/22/1067437922.db2.gz ODCKDCLTLRNLIP-UHFFFAOYSA-N 0 1 457.553 -1.055 20 0 JAADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001360111133 1067444475 /nfs/dbraw/zinc/44/44/75/1067444475.db2.gz ZMNUIKSIRUDCSR-CABCVRRESA-N 0 1 453.569 -1.333 20 0 JAADMN CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001360111134 1067444481 /nfs/dbraw/zinc/44/44/81/1067444481.db2.gz ZMNUIKSIRUDCSR-GJZGRUSLSA-N 0 1 453.569 -1.333 20 0 JAADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001360111135 1067444365 /nfs/dbraw/zinc/44/43/65/1067444365.db2.gz ZMNUIKSIRUDCSR-HUUCEWRRSA-N 0 1 453.569 -1.333 20 0 JAADMN CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001360111136 1067444324 /nfs/dbraw/zinc/44/43/24/1067444324.db2.gz ZMNUIKSIRUDCSR-LSDHHAIUSA-N 0 1 453.569 -1.333 20 0 JAADMN O=C(CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001459744218 1067450316 /nfs/dbraw/zinc/45/03/16/1067450316.db2.gz FSRYXNJITITJTR-CABCVRRESA-N 0 1 457.553 -1.250 20 0 JAADMN O=C(CCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001459744228 1067450442 /nfs/dbraw/zinc/45/04/42/1067450442.db2.gz FSRYXNJITITJTR-GJZGRUSLSA-N 0 1 457.553 -1.250 20 0 JAADMN O=C(CCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001459744230 1067450357 /nfs/dbraw/zinc/45/03/57/1067450357.db2.gz FSRYXNJITITJTR-HUUCEWRRSA-N 0 1 457.553 -1.250 20 0 JAADMN O=C(CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001459744232 1067450429 /nfs/dbraw/zinc/45/04/29/1067450429.db2.gz FSRYXNJITITJTR-LSDHHAIUSA-N 0 1 457.553 -1.250 20 0 JAADMN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001465029151 1067452153 /nfs/dbraw/zinc/45/21/53/1067452153.db2.gz IGBOUZHTYWXEIE-DOTOQJQBSA-N 0 1 453.565 -1.025 20 0 JAADMN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001465029161 1067452110 /nfs/dbraw/zinc/45/21/10/1067452110.db2.gz IGBOUZHTYWXEIE-NVXWUHKLSA-N 0 1 453.565 -1.025 20 0 JAADMN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001465029163 1067452138 /nfs/dbraw/zinc/45/21/38/1067452138.db2.gz IGBOUZHTYWXEIE-RDJZCZTQSA-N 0 1 453.565 -1.025 20 0 JAADMN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001465029166 1067452103 /nfs/dbraw/zinc/45/21/03/1067452103.db2.gz IGBOUZHTYWXEIE-WBVHZDCISA-N 0 1 453.565 -1.025 20 0 JAADMN CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001502310198 1067459020 /nfs/dbraw/zinc/45/90/20/1067459020.db2.gz UWKRFPMKCOBEIZ-DLBZAZTESA-N 0 1 475.598 -1.411 20 0 JAADMN CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001502310199 1067458868 /nfs/dbraw/zinc/45/88/68/1067458868.db2.gz UWKRFPMKCOBEIZ-IAGOWNOFSA-N 0 1 475.598 -1.411 20 0 JAADMN CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001502310200 1067458798 /nfs/dbraw/zinc/45/87/98/1067458798.db2.gz UWKRFPMKCOBEIZ-IRXDYDNUSA-N 0 1 475.598 -1.411 20 0 JAADMN CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001502310201 1067458963 /nfs/dbraw/zinc/45/89/63/1067458963.db2.gz UWKRFPMKCOBEIZ-SJORKVTESA-N 0 1 475.598 -1.411 20 0 JAADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334669 1067458743 /nfs/dbraw/zinc/45/87/43/1067458743.db2.gz NLQOVIOQCPDZJA-CVEARBPZSA-N 0 1 454.601 -1.005 20 0 JAADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334670 1067458772 /nfs/dbraw/zinc/45/87/72/1067458772.db2.gz NLQOVIOQCPDZJA-HOTGVXAUSA-N 0 1 454.601 -1.005 20 0 JAADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334671 1067458953 /nfs/dbraw/zinc/45/89/53/1067458953.db2.gz NLQOVIOQCPDZJA-HZPDHXFCSA-N 0 1 454.601 -1.005 20 0 JAADMN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334672 1067459011 /nfs/dbraw/zinc/45/90/11/1067459011.db2.gz NLQOVIOQCPDZJA-JKSUJKDBSA-N 0 1 454.601 -1.005 20 0 JAADMN CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)CC1=O ZINC001503686938 1067463787 /nfs/dbraw/zinc/46/37/87/1067463787.db2.gz ZFCNCLPRABZIDO-HNNXBMFYSA-N 0 1 473.625 -1.062 20 0 JAADMN CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)CC1=O ZINC001503686942 1067463832 /nfs/dbraw/zinc/46/38/32/1067463832.db2.gz ZFCNCLPRABZIDO-OAHLLOKOSA-N 0 1 473.625 -1.062 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CCO1 ZINC001503774862 1067464945 /nfs/dbraw/zinc/46/49/45/1067464945.db2.gz ICMKERKJXKPJKZ-KBPBESRZSA-N 0 1 461.614 -1.112 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CCO1 ZINC001503774863 1067464878 /nfs/dbraw/zinc/46/48/78/1067464878.db2.gz ICMKERKJXKPJKZ-KGLIPLIRSA-N 0 1 461.614 -1.112 20 0 JAADMN CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CCO1 ZINC001503774864 1067464846 /nfs/dbraw/zinc/46/48/46/1067464846.db2.gz ICMKERKJXKPJKZ-UONOGXRCSA-N 0 1 461.614 -1.112 20 0 JAADMN CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CCO1 ZINC001503774865 1067464962 /nfs/dbraw/zinc/46/49/62/1067464962.db2.gz ICMKERKJXKPJKZ-ZIAGYGMSSA-N 0 1 461.614 -1.112 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CCO1 ZINC001503777784 1067465450 /nfs/dbraw/zinc/46/54/50/1067465450.db2.gz IVTTWMZAGLIQMM-BBWFWOEESA-N 0 1 470.596 -1.022 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CCO1 ZINC001503777785 1067465403 /nfs/dbraw/zinc/46/54/03/1067465403.db2.gz IVTTWMZAGLIQMM-IKGGRYGDSA-N 0 1 470.596 -1.022 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CCO1 ZINC001503777786 1067465437 /nfs/dbraw/zinc/46/54/37/1067465437.db2.gz IVTTWMZAGLIQMM-ULQDDVLXSA-N 0 1 470.596 -1.022 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CCO1 ZINC001503777787 1067465485 /nfs/dbraw/zinc/46/54/85/1067465485.db2.gz IVTTWMZAGLIQMM-ZACQAIPSSA-N 0 1 470.596 -1.022 20 0 JAADMN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CCO1 ZINC001503780593 1067465459 /nfs/dbraw/zinc/46/54/59/1067465459.db2.gz RBOKTEYPGKKXFG-DLBZAZTESA-N 0 1 483.595 -1.176 20 0 JAADMN CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CCO1 ZINC001503780596 1067465416 /nfs/dbraw/zinc/46/54/16/1067465416.db2.gz RBOKTEYPGKKXFG-IAGOWNOFSA-N 0 1 483.595 -1.176 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CCO1 ZINC001503780597 1067465511 /nfs/dbraw/zinc/46/55/11/1067465511.db2.gz RBOKTEYPGKKXFG-IRXDYDNUSA-N 0 1 483.595 -1.176 20 0 JAADMN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CCO1 ZINC001503780600 1067465502 /nfs/dbraw/zinc/46/55/02/1067465502.db2.gz RBOKTEYPGKKXFG-SJORKVTESA-N 0 1 483.595 -1.176 20 0 JAADMN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 ZINC001503839689 1067466967 /nfs/dbraw/zinc/46/69/67/1067466967.db2.gz DMXRENUETSCWHS-INIZCTEOSA-N 0 1 491.640 -1.308 20 0 JAADMN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 ZINC001503839692 1067467070 /nfs/dbraw/zinc/46/70/70/1067467070.db2.gz DMXRENUETSCWHS-MRXNPFEDSA-N 0 1 491.640 -1.308 20 0 JAADMN CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001509430150 1067476765 /nfs/dbraw/zinc/47/67/65/1067476765.db2.gz ATXPLCUNOOUQGG-DLBZAZTESA-N 0 1 476.582 -1.080 20 0 JAADMN CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001509430159 1067476663 /nfs/dbraw/zinc/47/66/63/1067476663.db2.gz ATXPLCUNOOUQGG-IAGOWNOFSA-N 0 1 476.582 -1.080 20 0 JAADMN CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001509430167 1067477200 /nfs/dbraw/zinc/47/72/00/1067477200.db2.gz ATXPLCUNOOUQGG-IRXDYDNUSA-N 0 1 476.582 -1.080 20 0 JAADMN CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001509430176 1067477410 /nfs/dbraw/zinc/47/74/10/1067477410.db2.gz ATXPLCUNOOUQGG-SJORKVTESA-N 0 1 476.582 -1.080 20 0 JAADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001515919869 1067483766 /nfs/dbraw/zinc/48/37/66/1067483766.db2.gz MPTQHGQAHUVOLR-CABCVRRESA-N 0 1 479.629 -1.309 20 0 JAADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001515919870 1067483785 /nfs/dbraw/zinc/48/37/85/1067483785.db2.gz MPTQHGQAHUVOLR-GJZGRUSLSA-N 0 1 479.629 -1.309 20 0 JAADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001515919871 1067483866 /nfs/dbraw/zinc/48/38/66/1067483866.db2.gz MPTQHGQAHUVOLR-HUUCEWRRSA-N 0 1 479.629 -1.309 20 0 JAADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001515919872 1067483888 /nfs/dbraw/zinc/48/38/88/1067483888.db2.gz MPTQHGQAHUVOLR-LSDHHAIUSA-N 0 1 479.629 -1.309 20 0 JAADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001515926722 1067483902 /nfs/dbraw/zinc/48/39/02/1067483902.db2.gz JZFBVMKFAKKGLK-DLBZAZTESA-N 0 1 489.668 -1.054 20 0 JAADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001515926758 1067483913 /nfs/dbraw/zinc/48/39/13/1067483913.db2.gz JZFBVMKFAKKGLK-IAGOWNOFSA-N 0 1 489.668 -1.054 20 0 JAADMN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001515926759 1067483839 /nfs/dbraw/zinc/48/38/39/1067483839.db2.gz JZFBVMKFAKKGLK-IRXDYDNUSA-N 0 1 489.668 -1.054 20 0 JAADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001515926760 1067483936 /nfs/dbraw/zinc/48/39/36/1067483936.db2.gz JZFBVMKFAKKGLK-SJORKVTESA-N 0 1 489.668 -1.054 20 0 JAADMN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)CC3)n2CCN2CCSCC2)C1 ZINC001519564818 1067500247 /nfs/dbraw/zinc/50/02/47/1067500247.db2.gz WQSGNTNUQFRBHZ-HNNXBMFYSA-N 0 1 473.625 -1.014 20 0 JAADMN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)CC3)n2CCN2CCSCC2)C1 ZINC001519564820 1067500288 /nfs/dbraw/zinc/50/02/88/1067500288.db2.gz WQSGNTNUQFRBHZ-OAHLLOKOSA-N 0 1 473.625 -1.014 20 0 JAADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CC=CCC1 ZINC001541946012 1067507114 /nfs/dbraw/zinc/50/71/14/1067507114.db2.gz OMDUANGVJPCBQI-CABCVRRESA-N 0 1 466.568 -1.703 20 0 JAADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CC=CCC1 ZINC001541946013 1067507255 /nfs/dbraw/zinc/50/72/55/1067507255.db2.gz OMDUANGVJPCBQI-GJZGRUSLSA-N 0 1 466.568 -1.703 20 0 JAADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CC=CCC1 ZINC001541946014 1067507234 /nfs/dbraw/zinc/50/72/34/1067507234.db2.gz OMDUANGVJPCBQI-HUUCEWRRSA-N 0 1 466.568 -1.703 20 0 JAADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CC=CCC1 ZINC001541946015 1067507155 /nfs/dbraw/zinc/50/71/55/1067507155.db2.gz OMDUANGVJPCBQI-LSDHHAIUSA-N 0 1 466.568 -1.703 20 0 JAADMN CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483709 1067508518 /nfs/dbraw/zinc/50/85/18/1067508518.db2.gz MFSKQMHNMOVHIK-DLBZAZTESA-N 0 1 458.581 -1.291 20 0 JAADMN CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483712 1067508444 /nfs/dbraw/zinc/50/84/44/1067508444.db2.gz MFSKQMHNMOVHIK-IAGOWNOFSA-N 0 1 458.581 -1.291 20 0 JAADMN CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483714 1067508643 /nfs/dbraw/zinc/50/86/43/1067508643.db2.gz MFSKQMHNMOVHIK-IRXDYDNUSA-N 0 1 458.581 -1.291 20 0 JAADMN CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483716 1067508372 /nfs/dbraw/zinc/50/83/72/1067508372.db2.gz MFSKQMHNMOVHIK-SJORKVTESA-N 0 1 458.581 -1.291 20 0 JAADMN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 ZINC001554507762 1067516278 /nfs/dbraw/zinc/51/62/78/1067516278.db2.gz PMQDYQHUVDZMJA-HNNXBMFYSA-N 0 1 479.629 -1.309 20 0 JAADMN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 ZINC001554507763 1067516418 /nfs/dbraw/zinc/51/64/18/1067516418.db2.gz PMQDYQHUVDZMJA-OAHLLOKOSA-N 0 1 479.629 -1.309 20 0 JAADMN COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555522692 1067517780 /nfs/dbraw/zinc/51/77/80/1067517780.db2.gz HFHKLUNWYVQUFH-CVEARBPZSA-N 0 1 483.595 -1.705 20 0 JAADMN COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555522693 1067517701 /nfs/dbraw/zinc/51/77/01/1067517701.db2.gz HFHKLUNWYVQUFH-HOTGVXAUSA-N 0 1 483.595 -1.705 20 0 JAADMN COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555522694 1067517680 /nfs/dbraw/zinc/51/76/80/1067517680.db2.gz HFHKLUNWYVQUFH-HZPDHXFCSA-N 0 1 483.595 -1.705 20 0 JAADMN COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555522695 1067517817 /nfs/dbraw/zinc/51/78/17/1067517817.db2.gz HFHKLUNWYVQUFH-JKSUJKDBSA-N 0 1 483.595 -1.705 20 0 JAADMN COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001555579629 1067518235 /nfs/dbraw/zinc/51/82/35/1067518235.db2.gz WOXJSSKDWZHNSU-CVEARBPZSA-N 0 1 473.600 -1.096 20 0 JAADMN COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001555579630 1067518276 /nfs/dbraw/zinc/51/82/76/1067518276.db2.gz WOXJSSKDWZHNSU-HOTGVXAUSA-N 0 1 473.600 -1.096 20 0 JAADMN COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001555579631 1067518340 /nfs/dbraw/zinc/51/83/40/1067518340.db2.gz WOXJSSKDWZHNSU-HZPDHXFCSA-N 0 1 473.600 -1.096 20 0 JAADMN COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001555579632 1067518644 /nfs/dbraw/zinc/51/86/44/1067518644.db2.gz WOXJSSKDWZHNSU-JKSUJKDBSA-N 0 1 473.600 -1.096 20 0 JAADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC001556373011 1067520762 /nfs/dbraw/zinc/52/07/62/1067520762.db2.gz UMKJEPDVXWCBSG-FQEVSTJZSA-N 0 1 453.540 -1.149 20 0 JAADMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC001556373012 1067520820 /nfs/dbraw/zinc/52/08/20/1067520820.db2.gz UMKJEPDVXWCBSG-HXUWFJFHSA-N 0 1 453.540 -1.149 20 0 JAADMN O=C(CN1C[C@@H](CO)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001560028378 1067521997 /nfs/dbraw/zinc/52/19/97/1067521997.db2.gz NHCXDVGZNWNYBG-HOTGVXAUSA-N 0 1 455.533 -1.177 20 0 JAADMN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC001564006807 1067522443 /nfs/dbraw/zinc/52/24/43/1067522443.db2.gz RQSDTCLRKUGQML-KRWDZBQOSA-N 0 1 450.540 -1.604 20 0 JAADMN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC001564006808 1067522648 /nfs/dbraw/zinc/52/26/48/1067522648.db2.gz RQSDTCLRKUGQML-QGZVFWFLSA-N 0 1 450.540 -1.604 20 0 JAADMN COCCOCCc1ncc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)[nH]1 ZINC001565965508 1067523103 /nfs/dbraw/zinc/52/31/03/1067523103.db2.gz JDDGBYXBNXSQGP-HNNXBMFYSA-N 0 1 457.553 -1.324 20 0 JAADMN COCCOCCc1ncc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)[nH]1 ZINC001565965509 1067522904 /nfs/dbraw/zinc/52/29/04/1067522904.db2.gz JDDGBYXBNXSQGP-OAHLLOKOSA-N 0 1 457.553 -1.324 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001610179984 1067527999 /nfs/dbraw/zinc/52/79/99/1067527999.db2.gz MSAAGQHRHSEFOR-KBPBESRZSA-N 0 1 453.489 -1.455 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001610180020 1067527913 /nfs/dbraw/zinc/52/79/13/1067527913.db2.gz MSAAGQHRHSEFOR-KGLIPLIRSA-N 0 1 453.489 -1.455 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001610180027 1067527941 /nfs/dbraw/zinc/52/79/41/1067527941.db2.gz MSAAGQHRHSEFOR-UONOGXRCSA-N 0 1 453.489 -1.455 20 0 JAADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001610180029 1067528043 /nfs/dbraw/zinc/52/80/43/1067528043.db2.gz MSAAGQHRHSEFOR-ZIAGYGMSSA-N 0 1 453.489 -1.455 20 0 JAADMN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001618841112 1067537947 /nfs/dbraw/zinc/53/79/47/1067537947.db2.gz ZGCOHUPXVRCCLG-CVEARBPZSA-N 0 1 493.656 -1.014 20 0 JAADMN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001618841113 1067538107 /nfs/dbraw/zinc/53/81/07/1067538107.db2.gz ZGCOHUPXVRCCLG-HOTGVXAUSA-N 0 1 493.656 -1.014 20 0 JAADMN O=C(CN1C[C@H](CO)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001644246661 1067548672 /nfs/dbraw/zinc/54/86/72/1067548672.db2.gz NHCXDVGZNWNYBG-IYBDPMFKSA-N 0 1 455.533 -1.177 20 0 JAADMN CN1C(=O)[C@H]2CN(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]2C1=O ZINC001648061090 1067549157 /nfs/dbraw/zinc/54/91/57/1067549157.db2.gz NIGPJAHHUPRNCT-IYBDPMFKSA-N 0 1 450.517 -1.130 20 0 JAADMN O=C(CN1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001657625056 1067550934 /nfs/dbraw/zinc/55/09/34/1067550934.db2.gz DUSPJOSUGJUHAF-AWEZNQCLSA-N 0 1 455.562 -1.071 20 0 JAADMN O=C(CN1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001657625057 1067550777 /nfs/dbraw/zinc/55/07/77/1067550777.db2.gz DUSPJOSUGJUHAF-CQSZACIVSA-N 0 1 455.562 -1.071 20 0 JAADMN CN1CCN(CCCS(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC001659483230 1067551223 /nfs/dbraw/zinc/55/12/23/1067551223.db2.gz ZITTVUYHDOEUEG-UHFFFAOYSA-N 0 1 452.647 -1.937 20 0 JAADMN O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001659627732 1067551378 /nfs/dbraw/zinc/55/13/78/1067551378.db2.gz WRKPUOFKYXOQBM-CVEARBPZSA-N 0 1 455.624 -1.063 20 0 JAADMN O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001684835821 1067553419 /nfs/dbraw/zinc/55/34/19/1067553419.db2.gz AHZOVXPNEYWDIK-FQEVSTJZSA-N 0 1 452.600 -1.031 20 0 JAADMN O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001684835822 1067553741 /nfs/dbraw/zinc/55/37/41/1067553741.db2.gz AHZOVXPNEYWDIK-HXUWFJFHSA-N 0 1 452.600 -1.031 20 0 JAADMN