smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000003331802 194285915 /nfs/dbraw/zinc/28/59/15/194285915.db2.gz XVGAKTDKYIHJLP-UHFFFAOYSA-N 0 1 455.302 1.896 50 0 JDAAMN Cc1cc(NC(=O)COC(=O)CNS(=O)(=O)c2c(F)cc(F)cc2Br)no1 ZINC000003376459 194307738 /nfs/dbraw/zinc/30/77/38/194307738.db2.gz ODNPESRQNHXSIF-UHFFFAOYSA-N 0 1 468.232 1.484 50 0 JDAAMN CCCn1c(N)c(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c(=O)n(C)c1=O ZINC000003534075 194336228 /nfs/dbraw/zinc/33/62/28/194336228.db2.gz YUKYPKNKJFMXKL-UHFFFAOYSA-N 0 1 464.935 1.961 50 0 JDAAMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000004552285 194391952 /nfs/dbraw/zinc/39/19/52/194391952.db2.gz WXFGBDSANLKBFN-PMACEKPBSA-N 0 1 451.483 1.166 50 0 JDAAMN CCOC(=O)N1CCN(C(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)CC1 ZINC000009599473 194800228 /nfs/dbraw/zinc/80/02/28/194800228.db2.gz VVVGMOQKQJCMGY-UHFFFAOYSA-N 0 1 466.545 1.059 50 0 JDAAMN Cn1cc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccco3)N3CCCCC3)CC2)cc1C(N)=O ZINC000009912749 195021972 /nfs/dbraw/zinc/02/19/72/195021972.db2.gz RIDNAICBFLUZIN-HXUWFJFHSA-N 0 1 491.614 1.461 50 0 JDAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000012796047 195135919 /nfs/dbraw/zinc/13/59/19/195135919.db2.gz GGAROODIESUNLX-INIZCTEOSA-N 0 1 479.603 1.654 50 0 JDAAMN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012797523 195136889 /nfs/dbraw/zinc/13/68/89/195136889.db2.gz RKJNZKKVZCQRHV-NRFANRHFSA-N 0 1 498.649 1.936 50 0 JDAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000020611065 195184606 /nfs/dbraw/zinc/18/46/06/195184606.db2.gz RQIONDPFZNNKIT-DOWOIAEBSA-N 0 1 476.533 1.498 50 0 biogenic JDAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000020721602 195206666 /nfs/dbraw/zinc/20/66/66/195206666.db2.gz PWFQCDPWDYSJFN-UGSOOPFHSA-N 0 1 454.405 1.979 50 0 JDAAMN CCCN1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3OCC2=O)CC1 ZINC000020923157 195248588 /nfs/dbraw/zinc/24/85/88/195248588.db2.gz ZHXRGZOPRFWSPI-UHFFFAOYSA-N 0 1 464.588 1.141 50 0 JDAAMN O=C(CCN(CCN1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1 ZINC000021534345 195310577 /nfs/dbraw/zinc/31/05/77/195310577.db2.gz ZLMPAWQUAVFKFO-UHFFFAOYSA-N 0 1 485.654 1.321 50 0 JDAAMN C=C1C(N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000021913685 195331279 /nfs/dbraw/zinc/33/12/79/195331279.db2.gz HQSRZFKXOFUJGV-UHFFFAOYSA-N 0 1 489.642 1.244 50 0 JDAAMN O=C1OCCN1c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000058160189 195368426 /nfs/dbraw/zinc/36/84/26/195368426.db2.gz HZPUTAHMOULLHS-UHFFFAOYSA-N 0 1 467.525 1.465 50 0 JDAAMN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)NCCN1CCN(C)CC1)c(=O)n2C ZINC000021640738 195318835 /nfs/dbraw/zinc/31/88/35/195318835.db2.gz VDINQUMYBAZYFL-UHFFFAOYSA-N 0 1 451.575 1.032 50 0 JDAAMN CC(=O)c1ccc(OCC(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1 ZINC000014988357 518392977 /nfs/dbraw/zinc/39/29/77/518392977.db2.gz IKRDQEIIQBLTAJ-OAQYLSRUSA-N 0 1 484.601 1.709 50 0 JDAAMN CC(C)c1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CC(=O)N2CCNCC2)cc1 ZINC000045974168 519838542 /nfs/dbraw/zinc/83/85/42/519838542.db2.gz KZFRPYNFFMMFEH-UHFFFAOYSA-N 0 1 450.605 1.245 50 0 JDAAMN CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000048310194 520697831 /nfs/dbraw/zinc/69/78/31/520697831.db2.gz FXSRQLKUWOVAPI-UHFFFAOYSA-N 0 1 476.602 1.255 50 0 JDAAMN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccc(N4CCN(CC)CC4)nn3)CC2)C1 ZINC000033256226 521287008 /nfs/dbraw/zinc/28/70/08/521287008.db2.gz FGVPRLRMXBIMIC-FQEVSTJZSA-N 0 1 458.607 1.637 50 0 JDAAMN CCN1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccn5)CC4)C3)nn2)CC1 ZINC000033261563 521698610 /nfs/dbraw/zinc/69/86/10/521698610.db2.gz JHVDDVIBGXLIII-NRFANRHFSA-N 0 1 464.618 1.579 50 0 JDAAMN CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1cccc(F)c1 ZINC000022682658 522082793 /nfs/dbraw/zinc/08/27/93/522082793.db2.gz SYMHPRGKIXRNCX-AZUAARDMSA-N 0 1 483.587 1.324 50 0 JDAAMN COc1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000009635477 522161210 /nfs/dbraw/zinc/16/12/10/522161210.db2.gz WICRCDRILFQRIB-UHFFFAOYSA-N 0 1 468.554 1.937 50 0 JDAAMN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(CC3CCCCC3)C2)c1C(=O)OC ZINC000014989107 522398726 /nfs/dbraw/zinc/39/87/26/522398726.db2.gz VHLAPDLFTQYWSB-WMZOPIPTSA-N 0 1 473.530 1.956 50 0 JDAAMN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1cccc2c[nH]nc21 ZINC000024597329 522502850 /nfs/dbraw/zinc/50/28/50/522502850.db2.gz LNPOTGRIXJCCPT-UHFFFAOYSA-N 0 1 491.957 1.948 50 0 JDAAMN COC[C@H](C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2 ZINC000012246116 522628103 /nfs/dbraw/zinc/62/81/03/522628103.db2.gz CEYSILNGBUFKQD-ZDUSSCGKSA-N 0 1 498.627 1.968 50 0 JDAAMN COC(=O)C1C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204944 522890662 /nfs/dbraw/zinc/89/06/62/522890662.db2.gz MUPLWZDGOUJSOL-HSZRJFAPSA-N 0 1 480.496 1.520 50 0 JDAAMN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1OC ZINC000022683113 522894205 /nfs/dbraw/zinc/89/42/05/522894205.db2.gz BYRHIUODWMYKAP-FQEVSTJZSA-N 0 1 495.573 1.897 50 0 JDAAMN CCn1c(=O)c(-c2noc(C(=O)NCCN3CCCC[C@@H]3C)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946005 523099586 /nfs/dbraw/zinc/09/95/86/523099586.db2.gz KOYWVJCYKFPRMK-AWEZNQCLSA-N 0 1 471.493 1.207 50 0 JDAAMN CN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249911 523728444 /nfs/dbraw/zinc/72/84/44/523728444.db2.gz YSDVKCSYVKTOKY-RUZDIDTESA-N 0 1 470.618 1.877 50 0 JDAAMN CN1C(=O)c2cc(C(=O)NCCN3CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876463 523729453 /nfs/dbraw/zinc/72/94/53/523729453.db2.gz FQYYIEFRJZSGKY-XMMPIXPASA-N 0 1 452.559 1.260 50 0 JDAAMN CC[C@H](C(=O)NCCN1CCN(C)CC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971085 523775820 /nfs/dbraw/zinc/77/58/20/523775820.db2.gz GKFYYMZPDWRRRD-HXUWFJFHSA-N 0 1 451.575 1.514 50 0 JDAAMN CN1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000033033073 523881163 /nfs/dbraw/zinc/88/11/63/523881163.db2.gz AJVXZTLVRSOYLD-UHFFFAOYSA-N 0 1 478.018 1.938 50 0 JDAAMN CN1CCN(CCNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1 ZINC000020415848 523902104 /nfs/dbraw/zinc/90/21/04/523902104.db2.gz RJNSTHXZYLIKMH-UHFFFAOYSA-N 0 1 476.556 1.902 50 0 JDAAMN CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000020503789 523913462 /nfs/dbraw/zinc/91/34/62/523913462.db2.gz LOLJXCPHFMHVHS-UHFFFAOYSA-N 0 1 451.358 1.536 50 0 JDAAMN COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000033034084 523925060 /nfs/dbraw/zinc/92/50/60/523925060.db2.gz IXGCZAFPZNWFDS-UHFFFAOYSA-N 0 1 475.571 1.232 50 0 JDAAMN COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033034091 523925083 /nfs/dbraw/zinc/92/50/83/523925083.db2.gz BFOSGSUJCODFTA-UHFFFAOYSA-N 0 1 478.571 1.290 50 0 JDAAMN CNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033102 524070860 /nfs/dbraw/zinc/07/08/60/524070860.db2.gz OPMULDLATSJVOK-UHFFFAOYSA-N 0 1 479.990 1.368 50 0 JDAAMN Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCN3CCCC3=O)ccc2N2CC[NH2+]CC2)c1 ZINC000033033754 524807561 /nfs/dbraw/zinc/80/75/61/524807561.db2.gz WRGLIGMNBCGNFG-UHFFFAOYSA-N 0 1 499.637 1.948 50 0 JDAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)c1 ZINC000033115491 524878442 /nfs/dbraw/zinc/87/84/42/524878442.db2.gz RMNPEDGZMLVQCG-UHFFFAOYSA-N 0 1 489.594 1.985 50 0 JDAAMN COc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CCNCC2)cc1Cl ZINC000045944869 525014233 /nfs/dbraw/zinc/01/42/33/525014233.db2.gz LAIDPGDQSMXJGB-UHFFFAOYSA-N 0 1 462.012 1.976 50 0 JDAAMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000018706544 525041089 /nfs/dbraw/zinc/04/10/89/525041089.db2.gz SZCHQPZEHGPEBK-UHFFFAOYSA-N 0 1 474.583 1.720 50 0 JDAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016146813 525494112 /nfs/dbraw/zinc/49/41/12/525494112.db2.gz UQMWHAVIIRZPEL-UHFFFAOYSA-N 0 1 487.625 1.831 50 0 JDAAMN COc1cccc(CN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000045944546 525921544 /nfs/dbraw/zinc/92/15/44/525921544.db2.gz LXOAOQOYASLUJU-UHFFFAOYSA-N 0 1 477.583 1.725 50 0 JDAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1 ZINC000033261675 526314596 /nfs/dbraw/zinc/31/45/96/526314596.db2.gz NSYCQVCTQKJSDL-DEOSSOPVSA-N 0 1 493.656 1.464 50 0 JDAAMN Cn1c(=O)c(N2CCC(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)nc2cccnc21 ZINC000033259091 527023321 /nfs/dbraw/zinc/02/33/21/527023321.db2.gz UCEQXJRPPAKYPS-UHFFFAOYSA-N 0 1 489.624 1.873 50 0 JDAAMN Cn1c(=O)cc(N2CCC(C(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)CC2)n(C)c1=O ZINC000033124385 527029384 /nfs/dbraw/zinc/02/93/84/527029384.db2.gz AYUKCHKVYQKIDV-UHFFFAOYSA-N 0 1 488.032 1.982 50 0 JDAAMN Cn1cc(C(=O)NCCN2CCCCC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000049400587 527163655 /nfs/dbraw/zinc/16/36/55/527163655.db2.gz FYPXLWRTNVAQFK-UHFFFAOYSA-N 0 1 495.049 1.800 50 0 JDAAMN O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000021871350 527398873 /nfs/dbraw/zinc/39/88/73/527398873.db2.gz XNERXUGFIZZFGG-UHFFFAOYSA-N 0 1 481.576 1.787 50 0 JDAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2cc(C)ccc2N(CC(N)=O)C1=O ZINC000095480349 527573756 /nfs/dbraw/zinc/57/37/56/527573756.db2.gz UUZOZEYSQPDXOJ-QFIPXVFZSA-N 0 1 457.454 1.265 50 0 JDAAMN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)NC(=O)NC2=O)[C@H]2c3ccccc3C=NN21 ZINC000002218338 554099255 /nfs/dbraw/zinc/09/92/55/554099255.db2.gz WVIZHSKMPAOOCS-IXDOHACOSA-N 0 1 450.451 1.830 50 0 JDAAMN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nc1N ZINC000002400831 554185795 /nfs/dbraw/zinc/18/57/95/554185795.db2.gz AGBSKBMKCOXKOJ-UHFFFAOYSA-N 0 1 489.539 1.557 50 0 JDAAMN CCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O ZINC000006181056 554515539 /nfs/dbraw/zinc/51/55/39/554515539.db2.gz NZWFUSVSSNLSPC-UHFFFAOYSA-N 0 1 463.556 1.976 50 0 JDAAMN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]c1=S ZINC000006492498 554546373 /nfs/dbraw/zinc/54/63/73/554546373.db2.gz JVOVZXJTBXHHHD-UHFFFAOYSA-N 0 1 489.579 1.889 50 0 JDAAMN CSCC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSC[NH2+]2)CC1)C(=O)[O-] ZINC000008791482 554684648 /nfs/dbraw/zinc/68/46/48/554684648.db2.gz NOUNIQSXKGZZBY-DLBZAZTESA-N 0 1 451.614 1.532 50 0 biogenic JDAAMN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)CC1 ZINC000009048307 554871039 /nfs/dbraw/zinc/87/10/39/554871039.db2.gz FERYKIFEWJCJGC-NRFANRHFSA-N 0 1 474.583 1.699 50 0 JDAAMN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2=O ZINC000009083359 554888546 /nfs/dbraw/zinc/88/85/46/554888546.db2.gz OWDFPIKMBOPSSI-SPLOXXLWSA-N 0 1 472.527 1.921 50 0 JDAAMN CN1CCN(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000009192564 554965604 /nfs/dbraw/zinc/96/56/04/554965604.db2.gz DTVKSUDPBSDXDZ-UHFFFAOYSA-N 0 1 452.346 1.363 50 0 JDAAMN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000009223966 554994784 /nfs/dbraw/zinc/99/47/84/554994784.db2.gz VLDKBZFZXFQYLN-UHFFFAOYSA-N 0 1 466.571 1.945 50 0 JDAAMN CCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000009438556 555208194 /nfs/dbraw/zinc/20/81/94/555208194.db2.gz FXALXDNEDHGYOR-UHFFFAOYSA-N 0 1 456.542 1.916 50 0 JDAAMN CCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(=O)[nH]c1=O ZINC000009484290 555262077 /nfs/dbraw/zinc/26/20/77/555262077.db2.gz MMOJTOTURHNZAC-UHFFFAOYSA-N 0 1 466.951 1.830 50 0 JDAAMN CCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 ZINC000009490883 555267091 /nfs/dbraw/zinc/26/70/91/555267091.db2.gz YEMJRBGLXDEGGH-UHFFFAOYSA-N 0 1 497.547 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Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCCN1CCc3ccccc3C1)OCC(=O)N2 ZINC000035452156 569697170 /nfs/dbraw/zinc/69/71/70/569697170.db2.gz VJHROQGBKNXXAJ-UHFFFAOYSA-N 0 1 472.567 1.121 50 0 JDAAMN COCCNC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000071765050 569697279 /nfs/dbraw/zinc/69/72/79/569697279.db2.gz NQECYVPEEXYMGS-UHFFFAOYSA-N 0 1 462.347 1.632 50 0 JDAAMN C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)[C@H]([NH3+])CCC(=O)[O-] ZINC000035806146 569711415 /nfs/dbraw/zinc/71/14/15/569711415.db2.gz PMBTXCFVSKWSHR-FNSONXBASA-N 0 1 491.581 1.525 50 0 JDAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000036594118 569777204 /nfs/dbraw/zinc/77/72/04/569777204.db2.gz PWFQCDPWDYSJFN-FZKQIMNGSA-N 0 1 454.405 1.979 50 0 JDAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000036594115 569777263 /nfs/dbraw/zinc/77/72/63/569777263.db2.gz PWFQCDPWDYSJFN-ACJLOTCBSA-N 0 1 454.405 1.979 50 0 JDAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000101269927 569788680 /nfs/dbraw/zinc/78/86/80/569788680.db2.gz BHUSXOJVEMCTOU-PBWVOLNLSA-N 0 1 456.861 1.670 50 0 JDAAMN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCN(C)CC3)C2)cc1 ZINC000037443815 569791148 /nfs/dbraw/zinc/79/11/48/569791148.db2.gz AIRWHGRSDBPEPJ-FQEVSTJZSA-N 0 1 481.663 1.232 50 0 JDAAMN O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000101373148 569794631 /nfs/dbraw/zinc/79/46/31/569794631.db2.gz OAVDSWFOENGEOD-OAQYLSRUSA-N 0 1 473.595 1.208 50 0 JDAAMN COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3O)=NN2C(C)=O)cc1 ZINC000101456307 569798090 /nfs/dbraw/zinc/79/80/90/569798090.db2.gz LTVFLTCLOVBZOT-GOSISDBHSA-N 0 1 450.451 1.946 50 0 JDAAMN COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)=NN1C(C)=O ZINC000101456827 569798339 /nfs/dbraw/zinc/79/83/39/569798339.db2.gz NAWNCHLQDFQBMQ-QGZVFWFLSA-N 0 1 450.451 1.946 50 0 JDAAMN COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)=NN1C(C)=O ZINC000101456823 569798382 /nfs/dbraw/zinc/79/83/82/569798382.db2.gz NAWNCHLQDFQBMQ-KRWDZBQOSA-N 0 1 450.451 1.946 50 0 JDAAMN COc1ccccc1-n1c(O)c(C2=NN[C@@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[nH]c1=O ZINC000101762802 569803611 /nfs/dbraw/zinc/80/36/11/569803611.db2.gz CPFXZXFMTHHZQQ-CYBMUJFWSA-N 0 1 468.466 1.705 50 0 JDAAMN COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1 ZINC000043737346 569838296 /nfs/dbraw/zinc/83/82/96/569838296.db2.gz IGAUSSOLVQWTTA-JNEQXLIQSA-N 0 1 494.548 1.222 50 0 JDAAMN COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1 ZINC000043737347 569838353 /nfs/dbraw/zinc/83/83/53/569838353.db2.gz IGAUSSOLVQWTTA-NWJQHBQLSA-N 0 1 494.548 1.222 50 0 JDAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)N[C@]21c2cc(Br)ccc2NC1=O ZINC000104912605 569846773 /nfs/dbraw/zinc/84/67/73/569846773.db2.gz LBQGFSKAEUWJPY-FHCKRJPBSA-N 0 1 463.332 1.234 50 0 JDAAMN Cc1ccc([C@H](CN2CCOCC2)NCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000049611705 569849813 /nfs/dbraw/zinc/84/98/13/569849813.db2.gz XSGVZLXBNQCGHO-GGAORHGYSA-N 0 1 475.611 1.767 50 0 JDAAMN COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913727 569857887 /nfs/dbraw/zinc/85/78/87/569857887.db2.gz YJFZFCJZWKCSLL-BOCITWAFSA-N 0 1 461.518 1.898 50 0 JDAAMN CCOC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913804 569857947 /nfs/dbraw/zinc/85/79/47/569857947.db2.gz SELFMECKQZVAPJ-BOCITWAFSA-N 0 1 461.518 1.979 50 0 JDAAMN O=C1C=CC(=O)N1CCCCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000170621912 569873199 /nfs/dbraw/zinc/87/31/99/569873199.db2.gz PQSTZTIMEYBVQA-GDNALLQQSA-N 0 1 476.533 1.399 50 0 JDAAMN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccco2)C2(C(=O)NC(=O)NC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000226842786 570038929 /nfs/dbraw/zinc/03/89/29/570038929.db2.gz WVIZHSKMPAOOCS-ULQDDVLXSA-N 0 1 450.451 1.830 50 0 JDAAMN CCC[C@@H]1C[C@H](C(=O)N[C@]2([C@H](C)OC(C)=O)O[C@H](SC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)N(C)C1 ZINC000239038374 570048598 /nfs/dbraw/zinc/04/85/98/570048598.db2.gz DARVXQDVSMWTSV-MICGPWRUSA-N 0 1 560.666 1.385 50 0 biogenic JDAAMN CCOC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000248121646 570074596 /nfs/dbraw/zinc/07/45/96/570074596.db2.gz SELFMECKQZVAPJ-IFOBJOEFSA-N 0 1 461.518 1.979 50 0 JDAAMN COc1ccc([C@H](CC(=O)NCC(=O)NC(C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586133 570171623 /nfs/dbraw/zinc/17/16/23/570171623.db2.gz QNODBTCQPGWPJH-HNNXBMFYSA-N 0 1 462.499 1.842 50 0 JDAAMN COc1ccc([C@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263588164 570172413 /nfs/dbraw/zinc/17/24/13/570172413.db2.gz PZQUIBGZSKLTMD-HIFRSBDPSA-N 0 1 481.523 1.505 50 0 JDAAMN COc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000003379687 194309401 /nfs/dbraw/zinc/30/94/01/194309401.db2.gz UQGRPRSIKYEAGL-HSBSLETESA-N 0 1 495.941 1.726 50 0 JDAAMN COC(=O)Cn1c(=O)c2cc(C(=O)c3cc(F)ccc3O)cnc2n(Cc2ccccc2)c1=O ZINC000003418410 194317972 /nfs/dbraw/zinc/31/79/72/194317972.db2.gz OWOVLBLBBKMCRO-UHFFFAOYSA-N 0 1 463.421 1.855 50 0 JDAAMN COc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003422476 194319309 /nfs/dbraw/zinc/31/93/09/194319309.db2.gz YLRLZNXNTOBKEU-UHFFFAOYSA-N 0 1 464.475 1.904 50 0 JDAAMN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000004057052 194372822 /nfs/dbraw/zinc/37/28/22/194372822.db2.gz POEDDRYPRFBCRL-LJQANCHMSA-N 0 1 454.612 1.906 50 0 JDAAMN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000004057051 194372896 /nfs/dbraw/zinc/37/28/96/194372896.db2.gz POEDDRYPRFBCRL-IBGZPJMESA-N 0 1 454.612 1.906 50 0 JDAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000012639781 195069961 /nfs/dbraw/zinc/06/99/61/195069961.db2.gz SXZARQJZEAMRAK-HNNXBMFYSA-N 0 1 467.979 1.196 50 0 JDAAMN CCOC(=O)C1=C(Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)NC(=O)N[C@H]1c1ccccc1 ZINC000012766288 195113844 /nfs/dbraw/zinc/11/38/44/195113844.db2.gz NBEJYVGHUOWRII-NRFANRHFSA-N 0 1 488.566 1.750 50 0 JDAAMN CCCc1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)n[nH]1 ZINC000012772169 195118526 /nfs/dbraw/zinc/11/85/26/195118526.db2.gz MLYGHARHIIIQAX-UHFFFAOYSA-N 0 1 451.574 1.585 50 0 JDAAMN CCCc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)n1 ZINC000012772169 195118528 /nfs/dbraw/zinc/11/85/28/195118528.db2.gz MLYGHARHIIIQAX-UHFFFAOYSA-N 0 1 451.574 1.585 50 0 JDAAMN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012813646 195145925 /nfs/dbraw/zinc/14/59/25/195145925.db2.gz DOBGQYRFEJDNNU-CQOQZXRMSA-N 0 1 484.622 1.891 50 0 JDAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)N[C@]21c2cc(Cl)ccc2NC1=O ZINC000020611010 195184616 /nfs/dbraw/zinc/18/46/16/195184616.db2.gz VEBXYTMHRDGZLW-MDTICMOCSA-N 0 1 482.924 1.535 50 0 biogenic JDAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020611116 195184972 /nfs/dbraw/zinc/18/49/72/195184972.db2.gz PPCQBNMKPYVVMJ-ZHNFZGJGSA-N 0 1 482.924 1.535 50 0 biogenic JDAAMN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(Cc2ccc(F)cc2)CC1 ZINC000020675972 195200483 /nfs/dbraw/zinc/20/04/83/195200483.db2.gz FTCPIIOXXHFUJT-UHFFFAOYSA-N 0 1 453.522 1.250 50 0 JDAAMN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020663977 195197380 /nfs/dbraw/zinc/19/73/80/195197380.db2.gz VEUXWWXPHDXQNP-UHFFFAOYSA-N 0 1 455.950 1.456 50 0 JDAAMN COC(CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O)OC ZINC000020753940 195215477 /nfs/dbraw/zinc/21/54/77/195215477.db2.gz ZPSAUIBGALWFNA-KBPBESRZSA-N 0 1 451.545 1.543 50 0 JDAAMN CCCN1CCN(C(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCCCC4)ccc3N2C(C)=O)CC1 ZINC000021022635 195268142 /nfs/dbraw/zinc/26/81/42/195268142.db2.gz BERQXOCDBAWKEL-QFIPXVFZSA-N 0 1 462.616 1.693 50 0 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ZINC000033033190 519874447 /nfs/dbraw/zinc/87/44/47/519874447.db2.gz VKLWKXHHGPHAMI-UHFFFAOYSA-N 0 1 487.626 1.804 50 0 JDAAMN CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033032969 519874546 /nfs/dbraw/zinc/87/45/46/519874546.db2.gz BECJLGZTLPVDLL-UHFFFAOYSA-N 0 1 491.589 1.634 50 0 JDAAMN CCOC(=O)C1C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204977 520508110 /nfs/dbraw/zinc/50/81/10/520508110.db2.gz WPNOYXAKKYTYNX-DEOSSOPVSA-N 0 1 494.523 1.910 50 0 JDAAMN CCOC(=O)C1C(COC(=O)Cn2c(C)csc2=O)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000016046090 520518907 /nfs/dbraw/zinc/51/89/07/520518907.db2.gz BIQSGEZHTGLVDL-SFHVURJKSA-N 0 1 461.496 1.641 50 0 JDAAMN CCOC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033036 520742610 /nfs/dbraw/zinc/74/26/10/520742610.db2.gz PHYGGTUOUBNJGJ-UHFFFAOYSA-N 0 1 460.556 1.532 50 0 JDAAMN CCOC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000033032995 520744112 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0 JDAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009466643 555242612 /nfs/dbraw/zinc/24/26/12/555242612.db2.gz YFZODSWLBOXEIO-UHFFFAOYSA-N 0 1 454.508 1.995 50 0 JDAAMN O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000009490969 555267295 /nfs/dbraw/zinc/26/72/95/555267295.db2.gz JMIJAURXHDWGGI-ZDUSSCGKSA-N 0 1 482.975 1.854 50 0 JDAAMN CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Br)cc2)CC1 ZINC000009546473 555342001 /nfs/dbraw/zinc/34/20/01/555342001.db2.gz RTGXRLJBELMIMZ-UHFFFAOYSA-N 0 1 461.364 1.386 50 0 JDAAMN COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000009641940 555353431 /nfs/dbraw/zinc/35/34/31/555353431.db2.gz SGELDASMIFCTLD-HXUWFJFHSA-N 0 1 459.568 1.720 50 0 JDAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2=NNC(=O)CC2)ccc1N1CCOCC1 ZINC000009662443 555368461 /nfs/dbraw/zinc/36/84/61/555368461.db2.gz YPFDDSNUKWCLMM-UHFFFAOYSA-N 0 1 487.538 1.537 50 0 JDAAMN COCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1=O ZINC000013365898 555388815 /nfs/dbraw/zinc/38/88/15/555388815.db2.gz PIGPFMUZSUZTQS-UHFFFAOYSA-N 0 1 459.480 1.476 50 0 JDAAMN COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009596062 555412516 /nfs/dbraw/zinc/41/25/16/555412516.db2.gz DDKYJSJMSXXQNT-SFHVURJKSA-N 0 1 463.556 1.876 50 0 JDAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCC(C)CC3)[nH]c2=O)cc1OC ZINC000009599489 555419560 /nfs/dbraw/zinc/41/95/60/555419560.db2.gz ATJJSDNJIINYLM-UHFFFAOYSA-N 0 1 461.544 1.972 50 0 JDAAMN CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCc2cnc[nH]2)c(=O)c2cc3c(cc21)OCO3 ZINC000013551871 555492315 /nfs/dbraw/zinc/49/23/15/555492315.db2.gz BREJNBMKPBXERM-SFHVURJKSA-N 0 1 467.526 1.977 50 0 biogenic JDAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000013573793 555512039 /nfs/dbraw/zinc/51/20/39/555512039.db2.gz ZFYXWHSOPFTCDA-ZVHHKXRTSA-N 0 1 453.470 1.826 50 0 JDAAMN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019880022 555525253 /nfs/dbraw/zinc/52/52/53/555525253.db2.gz XIANAOQXNIKFNB-UHFFFAOYSA-N 0 1 470.595 1.826 50 0 JDAAMN COC(=O)c1cccc(NS(=O)(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2OC)c1 ZINC000013690499 555584422 /nfs/dbraw/zinc/58/44/22/555584422.db2.gz PWVMKNDLJVDTCF-GFCCVEGCSA-N 0 1 468.509 1.595 50 0 JDAAMN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000013690841 555585120 /nfs/dbraw/zinc/58/51/20/555585120.db2.gz FHDFAVVEFLIZRJ-UHFFFAOYSA-N 0 1 467.525 1.911 50 0 JDAAMN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000013727883 555601848 /nfs/dbraw/zinc/60/18/48/555601848.db2.gz PNEFPUOIXBERHA-UHFFFAOYSA-N 0 1 467.525 1.911 50 0 JDAAMN COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000013727800 555601859 /nfs/dbraw/zinc/60/18/59/555601859.db2.gz XBHHKISDTTUNEV-GFCCVEGCSA-N 0 1 467.525 1.767 50 0 JDAAMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)NC2=O)C1 ZINC000020112890 555650694 /nfs/dbraw/zinc/65/06/94/555650694.db2.gz MARKBCHJOCWXPQ-JKSUJKDBSA-N 0 1 464.478 1.432 50 0 biogenic JDAAMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)NC2=O)C1 ZINC000020112890 555650696 /nfs/dbraw/zinc/65/06/96/555650696.db2.gz MARKBCHJOCWXPQ-JKSUJKDBSA-N 0 1 464.478 1.432 50 0 biogenic JDAAMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)NC2=O)C1 ZINC000020112890 555650700 /nfs/dbraw/zinc/65/07/00/555650700.db2.gz MARKBCHJOCWXPQ-JKSUJKDBSA-N 0 1 464.478 1.432 50 0 biogenic JDAAMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)[N-]C(=O)NC2=O)C1 ZINC000020112890 555650703 /nfs/dbraw/zinc/65/07/03/555650703.db2.gz MARKBCHJOCWXPQ-JKSUJKDBSA-N 0 1 464.478 1.432 50 0 biogenic JDAAMN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000010233863 555658821 /nfs/dbraw/zinc/65/88/21/555658821.db2.gz UWRHNAXYVLZHFH-UHFFFAOYSA-N 0 1 455.950 1.768 50 0 JDAAMN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(N3CCOCC3)CCCCC1)n2C ZINC000014071348 555679267 /nfs/dbraw/zinc/67/92/67/555679267.db2.gz OGNYXAGSPQTWQD-UHFFFAOYSA-N 0 1 491.658 1.908 50 0 JDAAMN CN(CC(=O)NCCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000020235826 555728807 /nfs/dbraw/zinc/72/88/07/555728807.db2.gz ONTUMTYIJCUHLN-UHFFFAOYSA-N 0 1 488.639 1.246 50 0 JDAAMN CCOc1ccc(S(=O)(=O)NCCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000014246660 555750046 /nfs/dbraw/zinc/75/00/46/555750046.db2.gz RVILFCNRWYFOGY-UHFFFAOYSA-N 0 1 453.605 1.905 50 0 JDAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000020326957 555773216 /nfs/dbraw/zinc/77/32/16/555773216.db2.gz WHZXNFUMEFJASA-MRXNPFEDSA-N 0 1 450.561 1.086 50 0 JDAAMN CCCN(C(=O)CSc1nc(C2CC2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000011472445 555783000 /nfs/dbraw/zinc/78/30/00/555783000.db2.gz BGCOCVUQVXBAMJ-UHFFFAOYSA-N 0 1 455.544 1.698 50 0 JDAAMN CCCN(C(=O)CSc1n[nH]c(C2CC2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000011472445 555783001 /nfs/dbraw/zinc/78/30/01/555783001.db2.gz BGCOCVUQVXBAMJ-UHFFFAOYSA-N 0 1 455.544 1.698 50 0 JDAAMN O=C(c1cc(C2CC2)[nH]n1)N1CC(=O)N(CC2CCOCC2)C[C@H](OCc2cccnc2)C1 ZINC000014533809 555822241 /nfs/dbraw/zinc/82/22/41/555822241.db2.gz TWBSNXCEOJBCSH-FQEVSTJZSA-N 0 1 453.543 1.979 50 0 JDAAMN O=C(c1cc(C2CC2)[nH]n1)N1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2cccnc2)C1 ZINC000014533810 555822276 /nfs/dbraw/zinc/82/22/76/555822276.db2.gz TWBSNXCEOJBCSH-HXUWFJFHSA-N 0 1 453.543 1.979 50 0 JDAAMN C=C1C(N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020597898 555839825 /nfs/dbraw/zinc/83/98/25/555839825.db2.gz ODDLCJYDGFWTLA-UHFFFAOYSA-N 0 1 487.670 1.852 50 0 JDAAMN COc1ccc(OC)c(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1 ZINC000014998987 555843357 /nfs/dbraw/zinc/84/33/57/555843357.db2.gz PNFYBXSTMYDPNT-LJQANCHMSA-N 0 1 472.590 1.759 50 0 JDAAMN CCN1CC[NH+](CCCNC(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000020644438 555846118 /nfs/dbraw/zinc/84/61/18/555846118.db2.gz APBFQGIPWZKJET-UHFFFAOYSA-N 0 1 461.588 1.712 50 0 JDAAMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 ZINC000011906418 555854216 /nfs/dbraw/zinc/85/42/16/555854216.db2.gz PZLNAEDTQGWDGP-UHFFFAOYSA-N 0 1 496.519 1.436 50 0 JDAAMN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015032153 555865372 /nfs/dbraw/zinc/86/53/72/555865372.db2.gz NHZKHQFDSLIXII-SFHVURJKSA-N 0 1 472.611 1.410 50 0 JDAAMN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OCCO)cc2)CC3)o1 ZINC000012150039 555922120 /nfs/dbraw/zinc/92/21/20/555922120.db2.gz WKEBOJUMOAWNTF-UHFFFAOYSA-N 0 1 455.515 1.377 50 0 JDAAMN Cc1nc(O)c([C@@H](c2cccc(I)c2)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1 ZINC000015658929 555922462 /nfs/dbraw/zinc/92/24/62/555922462.db2.gz KVHWOGRJJDDFEV-UHFFFAOYSA-N 0 1 466.235 1.666 50 0 JDAAMN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022408389 555929977 /nfs/dbraw/zinc/92/99/77/555929977.db2.gz RDVBJVRRZUXBFT-UHFFFAOYSA-N 0 1 464.570 1.845 50 0 JDAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cnc2sc(N3CCCC3)nn2c1=O ZINC000015732785 555976937 /nfs/dbraw/zinc/97/69/37/555976937.db2.gz QXSSWEUFNQGYSY-UHFFFAOYSA-N 0 1 485.589 1.832 50 0 JDAAMN CN1CCN(CCNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000022937035 555989767 /nfs/dbraw/zinc/98/97/67/555989767.db2.gz URPSTZCBMKKRHD-UHFFFAOYSA-N 0 1 461.632 1.570 50 0 JDAAMN CCCN1CCN(C(=O)[C@H]2Cc3cc(S(=O)(=O)N(CC)CC)ccc3N2C(C)=O)CC1 ZINC000015775915 555995294 /nfs/dbraw/zinc/99/52/94/555995294.db2.gz NSCISPZBZNHOTN-OAQYLSRUSA-N 0 1 450.605 1.549 50 0 JDAAMN COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CCN(Cc1cccc3nccnc13)CC2 ZINC000023129858 556018839 /nfs/dbraw/zinc/01/88/39/556018839.db2.gz SQIWVSYVXMHNFB-UHFFFAOYSA-N 0 1 491.548 1.638 50 0 JDAAMN CCCN1CCN(C(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)CC1 ZINC000015943331 556078517 /nfs/dbraw/zinc/07/85/17/556078517.db2.gz XDNXAAILVXNKAF-UHFFFAOYSA-N 0 1 492.628 1.946 50 0 JDAAMN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC000023702870 556084177 /nfs/dbraw/zinc/08/41/77/556084177.db2.gz KSIQMMIVMJGREP-UHFFFAOYSA-N 0 1 478.659 1.453 50 0 JDAAMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000023718538 556085311 /nfs/dbraw/zinc/08/53/11/556085311.db2.gz QNHLQWZXQCMKRZ-QHCPKHFHSA-N 0 1 492.686 1.345 50 0 JDAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000015956656 556088391 /nfs/dbraw/zinc/08/83/91/556088391.db2.gz MARVFLGYQKGNLD-FAODYONGSA-N 0 1 452.898 1.526 50 0 biogenic JDAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957673 556089530 /nfs/dbraw/zinc/08/95/30/556089530.db2.gz RQIONDPFZNNKIT-PTNLABRWSA-N 0 1 476.533 1.498 50 0 biogenic JDAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2cccc(C)c2NC1=O ZINC000015958579 556090251 /nfs/dbraw/zinc/09/02/51/556090251.db2.gz CKTMFWXZDIHQKN-OIBPMIBVSA-N 0 1 462.506 1.190 50 0 biogenic JDAAMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958714 556090308 /nfs/dbraw/zinc/09/03/08/556090308.db2.gz GDAJVUCTUJRBDJ-LIYOMKHYSA-N 0 1 476.533 1.444 50 0 biogenic JDAAMN CCc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015967531 556093785 /nfs/dbraw/zinc/09/37/85/556093785.db2.gz HPIKHOPINITKBX-OQGNEYSTSA-N 0 1 490.516 1.164 50 0 biogenic JDAAMN NC(=O)CC[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968411 556094591 /nfs/dbraw/zinc/09/45/91/556094591.db2.gz WQDKDQHVIDKJEX-BKJGLDIHSA-N 0 1 466.925 1.569 50 0 biogenic JDAAMN NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969098 556094905 /nfs/dbraw/zinc/09/49/05/556094905.db2.gz RMSPDMFROXPINE-ZHNFZGJGSA-N 0 1 466.925 1.569 50 0 biogenic JDAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015968832 556095018 /nfs/dbraw/zinc/09/50/18/556095018.db2.gz YTJJPPCYLZMJBK-GGMMCWFTSA-N 0 1 496.907 1.255 50 0 biogenic JDAAMN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969928 556095956 /nfs/dbraw/zinc/09/59/56/556095956.db2.gz JLRMLSBSAUWVEO-DOWOIAEBSA-N 0 1 460.534 1.532 50 0 biogenic JDAAMN NC(=O)c1nn(CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c(=O)c2ccccc21 ZINC000023908491 556100388 /nfs/dbraw/zinc/10/03/88/556100388.db2.gz FDSZVYDXGZLELP-UHFFFAOYSA-N 0 1 455.518 1.993 50 0 JDAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016012504 556111252 /nfs/dbraw/zinc/11/12/52/556111252.db2.gz JHQOTBFVEWXQPS-XITLKHQFSA-N 0 1 458.946 1.967 50 0 JDAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016012507 556111378 /nfs/dbraw/zinc/11/13/78/556111378.db2.gz JHQOTBFVEWXQPS-VGHKVXAASA-N 0 1 458.946 1.967 50 0 JDAAMN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021176 556113265 /nfs/dbraw/zinc/11/32/65/556113265.db2.gz KLSMYDRATAATNY-NARGUJOISA-N 0 1 466.925 1.835 50 0 JDAAMN Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021181 556113764 /nfs/dbraw/zinc/11/37/64/556113764.db2.gz KLSMYDRATAATNY-BKJGLDIHSA-N 0 1 466.925 1.835 50 0 JDAAMN NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021328 556113773 /nfs/dbraw/zinc/11/37/73/556113773.db2.gz HORZZVNURILUKR-ZHNFZGJGSA-N 0 1 450.470 1.054 50 0 JDAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022179 556114660 /nfs/dbraw/zinc/11/46/60/556114660.db2.gz WUTDGAAKTSBXDV-YWNPBTLJSA-N 0 1 455.898 1.655 50 0 JDAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016032915 556117030 /nfs/dbraw/zinc/11/70/30/556117030.db2.gz KFXHRMAUVDSABR-DOWOIAEBSA-N 0 1 460.534 1.478 50 0 biogenic JDAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000016033039 556117383 /nfs/dbraw/zinc/11/73/83/556117383.db2.gz JRIUJIJAVODGTL-UJAPCULTSA-N 0 1 462.506 1.190 50 0 biogenic JDAAMN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(C(C)C)n[nH]3)CC2)cc1 ZINC000012857616 556118315 /nfs/dbraw/zinc/11/83/15/556118315.db2.gz DFKZZJYMYKMLRS-UHFFFAOYSA-N 0 1 453.590 1.952 50 0 JDAAMN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3n[nH]c(C(C)C)n3)CC2)cc1 ZINC000012857616 556118319 /nfs/dbraw/zinc/11/83/19/556118319.db2.gz DFKZZJYMYKMLRS-UHFFFAOYSA-N 0 1 453.590 1.952 50 0 JDAAMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000024987951 556170050 /nfs/dbraw/zinc/17/00/50/556170050.db2.gz LJTQNJFYHXPBBO-ZDUSSCGKSA-N 0 1 462.392 1.708 50 0 JDAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000025033519 556172843 /nfs/dbraw/zinc/17/28/43/556172843.db2.gz CUQSHWOVKOUTFV-VGOFRKELSA-N 0 1 465.535 1.934 50 0 JDAAMN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000012981213 556174342 /nfs/dbraw/zinc/17/43/42/556174342.db2.gz FROUJSPQXASIBA-UHFFFAOYSA-N 0 1 460.560 1.099 50 0 JDAAMN O=C(CN1CCN(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1)N1CCOCC1 ZINC000012985708 556179349 /nfs/dbraw/zinc/17/93/49/556179349.db2.gz SCMMSIWFAKYWIP-IBGZPJMESA-N 0 1 471.627 1.479 50 0 JDAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000013000024 556192816 /nfs/dbraw/zinc/19/28/16/556192816.db2.gz QTCZIXGXKBHEKP-WCCYLALTSA-N 0 1 493.630 1.900 50 0 JDAAMN COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1C ZINC000017010343 556200056 /nfs/dbraw/zinc/20/00/56/556200056.db2.gz UZEBYIOUISCYTC-UHFFFAOYSA-N 0 1 461.588 1.758 50 0 JDAAMN COc1cc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c(C)cc1C ZINC000017010311 556200165 /nfs/dbraw/zinc/20/01/65/556200165.db2.gz SXOFWSWYQXMJML-UHFFFAOYSA-N 0 1 461.588 1.758 50 0 JDAAMN 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/nfs/dbraw/zinc/84/43/45/555844345.db2.gz MFNYURHYRKLVAR-UHFFFAOYSA-N 0 1 455.515 1.928 50 0 JDAAMN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000011997558 555879378 /nfs/dbraw/zinc/87/93/78/555879378.db2.gz OWXLHSSYVZICOA-HXUWFJFHSA-N 0 1 463.581 1.869 50 0 JDAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000011997907 555880028 /nfs/dbraw/zinc/88/00/28/555880028.db2.gz ZAAUFCDDOSKHJP-LJQANCHMSA-N 0 1 493.607 1.877 50 0 JDAAMN CCc1nnc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)cc3)c(=O)[nH]2)s1 ZINC000012033249 555887655 /nfs/dbraw/zinc/88/76/55/555887655.db2.gz SATONLOMSSRNAB-UHFFFAOYSA-N 0 1 461.529 1.758 50 0 JDAAMN COCCN(C(=O)CN1CCC(Cc2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015350203 555899975 /nfs/dbraw/zinc/89/99/75/555899975.db2.gz YJIVFKSHTVBWJT-UHFFFAOYSA-N 0 1 471.602 1.709 50 0 JDAAMN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCNCC4)c1)N(C)CC3)OCO2 ZINC000015415370 555907319 /nfs/dbraw/zinc/90/73/19/555907319.db2.gz 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CCCN1CCN(C(=O)[C@@H]2Cc3cc(S(=O)(=O)N(CC)CC)ccc3N2C(C)=O)CC1 ZINC000015775914 555995338 /nfs/dbraw/zinc/99/53/38/555995338.db2.gz NSCISPZBZNHOTN-NRFANRHFSA-N 0 1 450.605 1.549 50 0 JDAAMN Cc1nn(CCC(=O)NCCN2CCc3ccccc3C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000015777540 555997147 /nfs/dbraw/zinc/99/71/47/555997147.db2.gz AHXYCVMLNKPXMJ-UHFFFAOYSA-N 0 1 459.616 1.849 50 0 JDAAMN CCOC(=O)c1noc2ncn(CC(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)c(=O)c12 ZINC000015785977 556005515 /nfs/dbraw/zinc/00/55/15/556005515.db2.gz WISGUWPOSULFJN-UHFFFAOYSA-N 0 1 496.568 1.507 50 0 JDAAMN Cc1ccc(-n2nc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786459 556005882 /nfs/dbraw/zinc/00/58/82/556005882.db2.gz RQPXKGMQGDXRLN-UHFFFAOYSA-N 0 1 480.544 1.321 50 0 JDAAMN CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)CC1 ZINC000015823397 556011671 /nfs/dbraw/zinc/01/16/71/556011671.db2.gz AZZUJBJJIBBODK-NRFANRHFSA-N 0 1 476.643 1.941 50 0 JDAAMN Cn1c2ncn(CCCC(=O)N3CCN(Cc4cccc5ccccc54)CC3)c2c(=O)n(C)c1=O 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WEAVNUBBXBDBCG-KRWDZBQOSA-N 0 1 470.574 1.854 50 0 JDAAMN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cc(C(N)=O)n(C)c4)CC3)n[nH]2)s1 ZINC000023110530 556010590 /nfs/dbraw/zinc/01/05/90/556010590.db2.gz WAEOKLBOJFUJFR-UHFFFAOYSA-N 0 1 462.557 1.031 50 0 JDAAMN Cc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CCC(=O)N2CCNCC2)cc1C ZINC000015862649 556035825 /nfs/dbraw/zinc/03/58/25/556035825.db2.gz PBRBMHQTSKUERV-UHFFFAOYSA-N 0 1 450.605 1.129 50 0 JDAAMN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccc(F)cc2)c1 ZINC000015864243 556038853 /nfs/dbraw/zinc/03/88/53/556038853.db2.gz NTXBNPWFPOVYGX-UHFFFAOYSA-N 0 1 451.520 1.466 50 0 JDAAMN CCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)nn2)CC1 ZINC000015882344 556056217 /nfs/dbraw/zinc/05/62/17/556056217.db2.gz HSDISWOPFNVSEG-UHFFFAOYSA-N 0 1 473.603 1.088 50 0 JDAAMN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000023702158 556084319 /nfs/dbraw/zinc/08/43/19/556084319.db2.gz PZTMILOZRVELFP-UHFFFAOYSA-N 0 1 452.577 1.075 50 0 JDAAMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000023718541 556085379 /nfs/dbraw/zinc/08/53/79/556085379.db2.gz QNHLQWZXQCMKRZ-HSZRJFAPSA-N 0 1 492.686 1.345 50 0 JDAAMN NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000015956658 556088720 /nfs/dbraw/zinc/08/87/20/556088720.db2.gz MARVFLGYQKGNLD-QYUDBREXSA-N 0 1 452.898 1.526 50 0 biogenic JDAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015957699 556089522 /nfs/dbraw/zinc/08/95/22/556089522.db2.gz YUVYOMNLDQYVSI-SYSFZUQMSA-N 0 1 466.925 1.835 50 0 biogenic JDAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015957700 556089542 /nfs/dbraw/zinc/08/95/42/556089542.db2.gz YUVYOMNLDQYVSI-BKJGLDIHSA-N 0 1 466.925 1.835 50 0 biogenic JDAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000015958087 556089563 /nfs/dbraw/zinc/08/95/63/556089563.db2.gz APMNJQBDRKMCMF-UJAPCULTSA-N 0 1 496.951 1.843 50 0 biogenic JDAAMN CCc1ccc2c(c1)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015967529 556093756 /nfs/dbraw/zinc/09/37/56/556093756.db2.gz HPIKHOPINITKBX-OFCWLIIESA-N 0 1 490.516 1.164 50 0 biogenic JDAAMN CCc1ccc2c(c1)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015967535 556093900 /nfs/dbraw/zinc/09/39/00/556093900.db2.gz HPIKHOPINITKBX-WGXFTBGVSA-N 0 1 490.516 1.164 50 0 biogenic JDAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968232 556094133 /nfs/dbraw/zinc/09/41/33/556094133.db2.gz XZVNHJQQBSYOER-GPNHVJLWSA-N 0 1 490.516 1.164 50 0 biogenic JDAAMN CCc1cccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968234 556094609 /nfs/dbraw/zinc/09/46/09/556094609.db2.gz XZVNHJQQBSYOER-WYMULPSZSA-N 0 1 490.516 1.164 50 0 biogenic JDAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969831 556095658 /nfs/dbraw/zinc/09/56/58/556095658.db2.gz JUVLATIZOPKNKU-XVIHEJCXSA-N 0 1 480.952 1.877 50 0 biogenic JDAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010106 556109395 /nfs/dbraw/zinc/10/93/95/556109395.db2.gz LFVQUYLHZNMUQF-WKVINZIJSA-N 0 1 464.497 1.629 50 0 JDAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010301 556110240 /nfs/dbraw/zinc/11/02/40/556110240.db2.gz JRGUGONXPQSHRF-BKJGLDIHSA-N 0 1 484.915 1.974 50 0 JDAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]21 ZINC000016011506 556110623 /nfs/dbraw/zinc/11/06/23/556110623.db2.gz PNLCAMBGKHSVRN-TVZIFOOBSA-N 0 1 472.423 1.896 50 0 JDAAMN NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021326 556113684 /nfs/dbraw/zinc/11/36/84/556113684.db2.gz HORZZVNURILUKR-QLBZUPSYSA-N 0 1 450.470 1.054 50 0 JDAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2cc(Br)ccc2NC1=O ZINC000016022199 556114681 /nfs/dbraw/zinc/11/46/81/556114681.db2.gz VEPWKNYQCGCHHZ-AUKZQPGHSA-N 0 1 463.332 1.234 50 0 JDAAMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016032916 556116978 /nfs/dbraw/zinc/11/69/78/556116978.db2.gz KFXHRMAUVDSABR-PTNLABRWSA-N 0 1 460.534 1.478 50 0 biogenic JDAAMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)cc2oc1=O ZINC000016033177 556117286 /nfs/dbraw/zinc/11/72/86/556117286.db2.gz NMMRHMKEFVNNJH-UHFFFAOYSA-N 0 1 457.917 1.908 50 0 JDAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000016033038 556117400 /nfs/dbraw/zinc/11/74/00/556117400.db2.gz JRIUJIJAVODGTL-WKVINZIJSA-N 0 1 462.506 1.190 50 0 biogenic JDAAMN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000024836006 556159064 /nfs/dbraw/zinc/15/90/64/556159064.db2.gz WSEVYKCKPYCYAV-IBGZPJMESA-N 0 1 476.624 1.585 50 0 JDAAMN CCC(CC)[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)N1CCOCC1 ZINC000012983823 556177095 /nfs/dbraw/zinc/17/70/95/556177095.db2.gz MGEOTEHSKHREBQ-NRFANRHFSA-N 0 1 482.647 1.644 50 0 JDAAMN CC(C)CN1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000025139869 556180758 /nfs/dbraw/zinc/18/07/58/556180758.db2.gz FAILHCROPVIOQL-JOCHJYFZSA-N 0 1 478.659 1.938 50 0 JDAAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000017015729 556204543 /nfs/dbraw/zinc/20/45/43/556204543.db2.gz OBSBAIOQIIZYQT-ATIYNZHBSA-N 0 1 478.549 1.892 50 0 JDAAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000017015729 556204547 /nfs/dbraw/zinc/20/45/47/556204547.db2.gz OBSBAIOQIIZYQT-ATIYNZHBSA-N 0 1 478.549 1.892 50 0 JDAAMN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccc(C)cc3[nH]2)c(=O)[nH]c1=O ZINC000025784466 556236076 /nfs/dbraw/zinc/23/60/76/556236076.db2.gz NUYBXRUGJPXBPW-UHFFFAOYSA-N 0 1 460.560 1.875 50 0 JDAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1 ZINC000026588961 556257836 /nfs/dbraw/zinc/25/78/36/556257836.db2.gz GZVHSQDTXHLVKJ-CQSZACIVSA-N 0 1 461.496 1.983 50 0 JDAAMN CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1 ZINC000018142965 556293591 /nfs/dbraw/zinc/29/35/91/556293591.db2.gz BMFMGFAJCXKKBM-UHFFFAOYSA-N 0 1 469.567 1.916 50 0 JDAAMN O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000013120670 556333508 /nfs/dbraw/zinc/33/35/08/556333508.db2.gz SKAVQZWXFBIKRV-UHFFFAOYSA-N 0 1 499.077 1.798 50 0 JDAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000019317233 556341005 /nfs/dbraw/zinc/34/10/05/556341005.db2.gz ZWJNYFYCAOEWNR-HNNXBMFYSA-N 0 1 455.993 1.549 50 0 JDAAMN CCOC(=O)C1=C(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000028752162 556341025 /nfs/dbraw/zinc/34/10/25/556341025.db2.gz QPFHLIPQWZWQAY-IERDGZPVSA-N 0 1 455.559 1.142 50 0 JDAAMN CCN1CCN([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccccc2)CC1 ZINC000019819074 556387391 /nfs/dbraw/zinc/38/73/91/556387391.db2.gz QNAJBJCPUUVSSD-QFIPXVFZSA-N 0 1 470.595 1.862 50 0 JDAAMN COC(=O)c1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031773024 556403744 /nfs/dbraw/zinc/40/37/44/556403744.db2.gz HEOWIEJSHPZRTK-HNNXBMFYSA-N 0 1 473.550 1.235 50 0 JDAAMN CCOC(=O)C1C(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000032851096 556511024 /nfs/dbraw/zinc/51/10/24/556511024.db2.gz ZOJQNSKQCVPBCS-LHSJRXKWSA-N 0 1 470.551 1.956 50 0 JDAAMN CC(C)CN1CCO[C@@H](CNC(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000032899338 556526985 /nfs/dbraw/zinc/52/69/85/556526985.db2.gz OLDWJBALNCHKAN-INIZCTEOSA-N 0 1 488.614 1.257 50 0 JDAAMN CC(C)CN1CCO[C@H](CNC(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000032899339 556527059 /nfs/dbraw/zinc/52/70/59/556527059.db2.gz OLDWJBALNCHKAN-MRXNPFEDSA-N 0 1 488.614 1.257 50 0 JDAAMN COc1ccc([C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)N2CCCCC2)cc1 ZINC000032902058 556529162 /nfs/dbraw/zinc/52/91/62/556529162.db2.gz MAZQBRMEZZIFNU-FQEVSTJZSA-N 0 1 451.527 1.598 50 0 JDAAMN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008703978 569593789 /nfs/dbraw/zinc/59/37/89/569593789.db2.gz HFIXLSGYMXVIMO-UHFFFAOYSA-N 0 1 483.959 1.742 50 0 JDAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000056968137 569593838 /nfs/dbraw/zinc/59/38/38/569593838.db2.gz KITQFTYVODAWMK-FQEVSTJZSA-N 0 1 490.564 1.185 50 0 JDAAMN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000008709884 569595615 /nfs/dbraw/zinc/59/56/15/569595615.db2.gz WHCIBHLNGNIZRD-UHFFFAOYSA-N 0 1 455.950 1.470 50 0 JDAAMN COC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414496 569599902 /nfs/dbraw/zinc/59/99/02/569599902.db2.gz HKXLGHCXFHGUEG-FQEVSTJZSA-N 0 1 468.514 1.097 50 0 JDAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414805 569600205 /nfs/dbraw/zinc/60/02/05/569600205.db2.gz DHJHEWGKIVCYCN-NRFANRHFSA-N 0 1 468.510 1.917 50 0 JDAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414790 569600208 /nfs/dbraw/zinc/60/02/08/569600208.db2.gz WEKOQFFUBJMYPY-HXUWFJFHSA-N 0 1 452.515 1.479 50 0 JDAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415536 569600880 /nfs/dbraw/zinc/60/08/80/569600880.db2.gz VZUZMDWYOOHTIP-NRFANRHFSA-N 0 1 466.542 1.869 50 0 JDAAMN CCOc1ccccc1[C@@H]1NC(=O)N=C(CN2CCN(c3ncccn3)CC2)C1C(=O)OC ZINC000057415781 569601282 /nfs/dbraw/zinc/60/12/82/569601282.db2.gz LCDNXIYGONENDC-FQEVSTJZSA-N 0 1 452.515 1.479 50 0 JDAAMN CN1CCN(CCNC(=O)CSCc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000032987183 569609231 /nfs/dbraw/zinc/60/92/31/569609231.db2.gz RZPQNLUORCJDBR-UHFFFAOYSA-N 0 1 452.581 1.526 50 0 JDAAMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)N2CCCC2)cc1 ZINC000061718315 569609084 /nfs/dbraw/zinc/60/90/84/569609084.db2.gz OUEHGWDXEXGNGI-NRFANRHFSA-N 0 1 451.527 1.777 50 0 JDAAMN CN1CCN(CCNC(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032987562 569609582 /nfs/dbraw/zinc/60/95/82/569609582.db2.gz KNOOPFBFROHOHN-UHFFFAOYSA-N 0 1 452.968 1.324 50 0 JDAAMN O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000062620942 569613340 /nfs/dbraw/zinc/61/33/40/569613340.db2.gz SWNNTQWXHKYRJW-UHFFFAOYSA-N 0 1 483.594 1.344 50 0 JDAAMN O=C(Nc1cnccn1)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000062640155 569614020 /nfs/dbraw/zinc/61/40/20/569614020.db2.gz QPVNLJRJOOTKME-UHFFFAOYSA-N 0 1 473.536 1.970 50 0 JDAAMN C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1 ZINC000062734733 569614815 /nfs/dbraw/zinc/61/48/15/569614815.db2.gz NRYDPRBSGSOEFW-LJQANCHMSA-N 0 1 488.610 1.833 50 0 JDAAMN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CCN(C[C@H](O)C(C)C)CC3)n2)C1 ZINC000034677672 569641950 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JDAAMN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)cc1OC ZINC000013733924 555605139 /nfs/dbraw/zinc/60/51/39/555605139.db2.gz KSTZRCRCBXNEFK-LBPRGKRZSA-N 0 1 470.525 1.826 50 0 JDAAMN CCCN1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)CC1 ZINC000020108770 555643984 /nfs/dbraw/zinc/64/39/84/555643984.db2.gz IZCTYUBKGWZCAB-UHFFFAOYSA-N 0 1 495.671 1.741 50 0 JDAAMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N1C(=O)c2ccccc2S1(=O)=O ZINC000010188079 555644451 /nfs/dbraw/zinc/64/44/51/555644451.db2.gz RUCUIANBJQFPHX-CYBMUJFWSA-N 0 1 487.519 1.449 50 0 JDAAMN C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000010265734 555664762 /nfs/dbraw/zinc/66/47/62/555664762.db2.gz PJNWGRKMHFIETD-CYBMUJFWSA-N 0 1 469.541 1.492 50 0 JDAAMN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)c(C)c1 ZINC000014241013 555742210 /nfs/dbraw/zinc/74/22/10/555742210.db2.gz XMFMLEUYQYOYEM-OAQYLSRUSA-N 0 1 466.648 1.985 50 0 JDAAMN Cn1c2nc(CN3CCN(Cc4ccccc4)CC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000020354951 555782500 /nfs/dbraw/zinc/78/25/00/555782500.db2.gz HTXIMPZAOFTQCA-UHFFFAOYSA-N 0 1 458.566 1.984 50 0 JDAAMN COc1cccc(OC)c1C(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1 ZINC000011783510 555814584 /nfs/dbraw/zinc/81/45/84/555814584.db2.gz JBWYYLOROMPJIA-QGZVFWFLSA-N 0 1 472.590 1.759 50 0 JDAAMN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1OC ZINC000011858349 555838163 /nfs/dbraw/zinc/83/81/63/555838163.db2.gz AZNSVJKTGLDKRH-UHFFFAOYSA-N 0 1 456.498 1.580 50 0 JDAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000011858357 555838246 /nfs/dbraw/zinc/83/82/46/555838246.db2.gz MEBUFIIGJZUERQ-UHFFFAOYSA-N 0 1 453.498 1.521 50 0 JDAAMN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21)N1CCC(N2CCOCC2)CC1 ZINC000015077858 555872222 /nfs/dbraw/zinc/87/22/22/555872222.db2.gz JYINHLDUPVGAJC-XMMPIXPASA-N 0 1 450.583 1.854 50 0 JDAAMN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000011997560 555879302 /nfs/dbraw/zinc/87/93/02/555879302.db2.gz OWXLHSSYVZICOA-FQEVSTJZSA-N 0 1 463.581 1.869 50 0 JDAAMN CN1CCc2nc3sc(SCC(=O)N4CCN(c5ccccc5)CC4)nn3c(=O)c2C1 ZINC000015414358 555906073 /nfs/dbraw/zinc/90/60/73/555906073.db2.gz PHPJDLVSWFYTKH-UHFFFAOYSA-N 0 1 456.597 1.580 50 0 JDAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000022282861 555917268 /nfs/dbraw/zinc/91/72/68/555917268.db2.gz SGTBHLJLQCSLJI-UHFFFAOYSA-N 0 1 482.566 1.455 50 0 JDAAMN Cc1cn2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022406704 555929467 /nfs/dbraw/zinc/92/94/67/555929467.db2.gz JYFTUHOUAPZCOH-UHFFFAOYSA-N 0 1 464.570 1.845 50 0 JDAAMN O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000022935397 555988247 /nfs/dbraw/zinc/98/82/47/555988247.db2.gz XPPVYXJJNXUSRF-UHFFFAOYSA-N 0 1 456.631 1.890 50 0 JDAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(n2)n(C)c(=O)n(C)c3=O)c1 ZINC000012521095 555992393 /nfs/dbraw/zinc/99/23/93/555992393.db2.gz JLVCEIZQQNSMJC-UHFFFAOYSA-N 0 1 495.517 1.694 50 0 JDAAMN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c(=O)[nH]c1=O ZINC000023078107 556005810 /nfs/dbraw/zinc/00/58/10/556005810.db2.gz PMXJOGBJRDYRLB-UHFFFAOYSA-N 0 1 487.586 1.784 50 0 JDAAMN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1=O ZINC000023079009 556006247 /nfs/dbraw/zinc/00/62/47/556006247.db2.gz RQJLDXOKFGOXTD-QFIPXVFZSA-N 0 1 480.506 1.683 50 0 JDAAMN COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(F)cc2)c1 ZINC000015862677 556035756 /nfs/dbraw/zinc/03/57/56/556035756.db2.gz GNIHYHWFIPMQRD-UHFFFAOYSA-N 0 1 465.547 1.856 50 0 JDAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000015864290 556038866 /nfs/dbraw/zinc/03/88/66/556038866.db2.gz JWFZOSXEOMHKID-UHFFFAOYSA-N 0 1 461.584 1.889 50 0 JDAAMN COc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)cc1OC ZINC000015864196 556039076 /nfs/dbraw/zinc/03/90/76/556039076.db2.gz TZMXNQNLGSDEKY-UHFFFAOYSA-N 0 1 467.975 1.980 50 0 JDAAMN C[C@H]1CCCCN1CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868998 556048099 /nfs/dbraw/zinc/04/80/99/556048099.db2.gz OYRAWTYZJPIGBR-SFHVURJKSA-N 0 1 493.095 1.440 50 0 JDAAMN O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000023703332 556084670 /nfs/dbraw/zinc/08/46/70/556084670.db2.gz RZFCAFWCIZJWFU-UHFFFAOYSA-N 0 1 482.622 1.283 50 0 JDAAMN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c1C ZINC000023731062 556085661 /nfs/dbraw/zinc/08/56/61/556085661.db2.gz KTWXOZOQSCHHNI-QHCPKHFHSA-N 0 1 494.702 1.700 50 0 JDAAMN NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000015956659 556088760 /nfs/dbraw/zinc/08/87/60/556088760.db2.gz MARVFLGYQKGNLD-YQYRJILISA-N 0 1 452.898 1.526 50 0 biogenic JDAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015957268 556089029 /nfs/dbraw/zinc/08/90/29/556089029.db2.gz NUERXJZXHJNGLO-XITLKHQFSA-N 0 1 452.898 1.839 50 0 biogenic JDAAMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958713 556090301 /nfs/dbraw/zinc/09/03/01/556090301.db2.gz GDAJVUCTUJRBDJ-PNOLHXSVSA-N 0 1 476.533 1.444 50 0 biogenic JDAAMN NC(=O)CC[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015959938 556092367 /nfs/dbraw/zinc/09/23/67/556092367.db2.gz JRYQNWMJLSPOCK-DRKJMRBYSA-N 0 1 496.907 1.255 50 0 biogenic JDAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015959937 556092422 /nfs/dbraw/zinc/09/24/22/556092422.db2.gz JRYQNWMJLSPOCK-ODSAXCBOSA-N 0 1 496.907 1.255 50 0 biogenic JDAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015968409 556094484 /nfs/dbraw/zinc/09/44/84/556094484.db2.gz WQDKDQHVIDKJEX-DOGKRZLPSA-N 0 1 466.925 1.569 50 0 biogenic JDAAMN NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015968413 556094516 /nfs/dbraw/zinc/09/45/16/556094516.db2.gz WQDKDQHVIDKJEX-NARGUJOISA-N 0 1 466.925 1.569 50 0 biogenic JDAAMN NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015968837 556094884 /nfs/dbraw/zinc/09/48/84/556094884.db2.gz YTJJPPCYLZMJBK-DJVOCCORSA-N 0 1 496.907 1.255 50 0 biogenic JDAAMN NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969097 556094995 /nfs/dbraw/zinc/09/49/95/556094995.db2.gz RMSPDMFROXPINE-QLBZUPSYSA-N 0 1 466.925 1.569 50 0 biogenic JDAAMN NC(=O)CC[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015968833 556095005 /nfs/dbraw/zinc/09/50/05/556095005.db2.gz YTJJPPCYLZMJBK-FRLSHVLYSA-N 0 1 496.907 1.255 50 0 biogenic JDAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015969357 556095182 /nfs/dbraw/zinc/09/51/82/556095182.db2.gz QRDNMMLBFGSOCA-GPNHVJLWSA-N 0 1 490.516 1.218 50 0 biogenic JDAAMN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969932 556096019 /nfs/dbraw/zinc/09/60/19/556096019.db2.gz JLRMLSBSAUWVEO-VLMJQKPGSA-N 0 1 460.534 1.532 50 0 biogenic JDAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969930 556096081 /nfs/dbraw/zinc/09/60/81/556096081.db2.gz JLRMLSBSAUWVEO-PTNLABRWSA-N 0 1 460.534 1.532 50 0 biogenic JDAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016010298 556109900 /nfs/dbraw/zinc/10/99/00/556109900.db2.gz JRGUGONXPQSHRF-NARGUJOISA-N 0 1 484.915 1.974 50 0 JDAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016012503 556111382 /nfs/dbraw/zinc/11/13/82/556111382.db2.gz JHQOTBFVEWXQPS-XQNUDUSMSA-N 0 1 458.946 1.967 50 0 JDAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016012506 556111404 /nfs/dbraw/zinc/11/14/04/556111404.db2.gz JHQOTBFVEWXQPS-SAQZZPNQSA-N 0 1 458.946 1.967 50 0 JDAAMN NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016021367 556113739 /nfs/dbraw/zinc/11/37/39/556113739.db2.gz PGTOZFXSRUKCPY-QYUDBREXSA-N 0 1 470.888 1.665 50 0 JDAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016022317 556115043 /nfs/dbraw/zinc/11/50/43/556115043.db2.gz ZFYXWHSOPFTCDA-CHCBJHGBSA-N 0 1 453.470 1.826 50 0 JDAAMN COCCn1c(N)c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(=O)[nH]c1=O ZINC000024786809 556155929 /nfs/dbraw/zinc/15/59/29/556155929.db2.gz CXOHXPRFCVVABR-UHFFFAOYSA-N 0 1 481.332 1.288 50 0 JDAAMN Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1 ZINC000017012749 556202797 /nfs/dbraw/zinc/20/27/97/556202797.db2.gz SSNQDZWFCNFCQR-UHFFFAOYSA-N 0 1 487.367 1.967 50 0 JDAAMN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 ZINC000017012676 556202860 /nfs/dbraw/zinc/20/28/60/556202860.db2.gz GIGPEUVYCBRADP-UHFFFAOYSA-N 0 1 463.560 1.150 50 0 JDAAMN CC(=O)OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](NC(=O)C(F)(F)F)[C@H]1OC(C)=O ZINC000025668689 556229098 /nfs/dbraw/zinc/22/90/98/556229098.db2.gz VINHSFCPOKEYLJ-VMXHOPILSA-N 0 1 491.415 1.402 50 0 JDAAMN COCCN(C(=O)CN[C@@H](C)c1cccc(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013056863 556251726 /nfs/dbraw/zinc/25/17/26/556251726.db2.gz PKDFHDUDMBYXIM-AWEZNQCLSA-N 0 1 451.955 1.758 50 0 JDAAMN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 ZINC000017307246 556254629 /nfs/dbraw/zinc/25/46/29/556254629.db2.gz DTIGNEOHYKAQFF-UHFFFAOYSA-N 0 1 491.614 1.930 50 0 JDAAMN COc1ccc([C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)N(C)C)cc1OC ZINC000013117252 556326183 /nfs/dbraw/zinc/32/61/83/556326183.db2.gz UKCXUPOEGIQWMP-IBGZPJMESA-N 0 1 495.573 1.897 50 0 JDAAMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000028724954 556340295 /nfs/dbraw/zinc/34/02/95/556340295.db2.gz MFWIFRYVGVFSDO-LJQANCHMSA-N 0 1 498.609 1.597 50 0 JDAAMN CCOC(=O)C1=C(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000028752156 556341044 /nfs/dbraw/zinc/34/10/44/556341044.db2.gz QPFHLIPQWZWQAY-HRAATJIYSA-N 0 1 455.559 1.142 50 0 JDAAMN C[NH+](C)CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000031815755 556407053 /nfs/dbraw/zinc/40/70/53/556407053.db2.gz XDCUMFISQRWDEN-IBGZPJMESA-N 0 1 466.380 1.352 50 0 JDAAMN COc1c2c(c(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c3c1CN(C)CC3)OCO2 ZINC000032124486 556427222 /nfs/dbraw/zinc/42/72/22/556427222.db2.gz AMKMPWULCLKDOQ-UHFFFAOYSA-N 0 1 473.507 1.450 50 0 biogenic JDAAMN COCCN(C(=O)CN1CCC[C@@H]1c1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032754409 556486406 /nfs/dbraw/zinc/48/64/06/556486406.db2.gz NQAOGSXCMJRGCY-LJQANCHMSA-N 0 1 457.575 1.900 50 0 JDAAMN COCCN(C(=O)CN1CCC[C@H]1c1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032754410 556486904 /nfs/dbraw/zinc/48/69/04/556486904.db2.gz NQAOGSXCMJRGCY-IBGZPJMESA-N 0 1 457.575 1.900 50 0 JDAAMN 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490.560 1.944 50 0 JDAAMN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCCN3CCN(C)CC3)C2)c1C ZINC000035510244 569698066 /nfs/dbraw/zinc/69/80/66/569698066.db2.gz QOHRBBCVWHJJPH-FQEVSTJZSA-N 0 1 475.634 1.343 50 0 JDAAMN CN1CCN(c2ccc(NS(=O)(=O)c3ccc(N4C(=O)C(C)(C)CS4(=O)=O)cc3)cc2)CC1 ZINC000035626984 569705706 /nfs/dbraw/zinc/70/57/06/569705706.db2.gz JSBWXFHFQWHDGQ-UHFFFAOYSA-N 0 1 492.623 1.942 50 0 JDAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000078478032 569706216 /nfs/dbraw/zinc/70/62/16/569706216.db2.gz ORJOELOHTACMMU-NRFANRHFSA-N 0 1 470.595 1.407 50 0 JDAAMN O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000079493820 569707579 /nfs/dbraw/zinc/70/75/79/569707579.db2.gz AZUUPOIRXYPGCV-OAQYLSRUSA-N 0 1 473.595 1.208 50 0 JDAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccc2c(c1)CCO2 ZINC000090607301 569721114 /nfs/dbraw/zinc/72/11/14/569721114.db2.gz XMUAYSSJAGGRCI-OAQYLSRUSA-N 0 1 486.594 1.691 50 0 JDAAMN 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COc1cc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)ccc1O ZINC000102486140 569813469 /nfs/dbraw/zinc/81/34/69/569813469.db2.gz UBPMQDDANBOVLF-GFCCVEGCSA-N 0 1 474.520 1.317 50 0 JDAAMN COc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000040146640 569818259 /nfs/dbraw/zinc/81/82/59/569818259.db2.gz YXASFMMYJRIHIU-UHFFFAOYSA-N 0 1 475.570 1.308 50 0 JDAAMN COc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1 ZINC000102973640 569830389 /nfs/dbraw/zinc/83/03/89/569830389.db2.gz ONJICNSLARSMIK-LBPRGKRZSA-N 0 1 458.521 1.611 50 0 JDAAMN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000103035836 569832186 /nfs/dbraw/zinc/83/21/86/569832186.db2.gz JFIMWWWEPQSNKA-IAGOWNOFSA-N 0 1 457.512 1.781 50 0 JDAAMN CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000170624530 569873408 /nfs/dbraw/zinc/87/34/08/569873408.db2.gz XKQOTQXABTZJEO-IBGZPJMESA-N 0 1 498.628 1.447 50 0 JDAAMN CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000170624528 569873411 /nfs/dbraw/zinc/87/34/11/569873411.db2.gz YSSIKYBTPWCWMW-AWEZNQCLSA-N 0 1 497.383 1.312 50 0 JDAAMN CC(=O)N1CCC(Nc2cc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)ncn2)CC1 ZINC000220119715 569883566 /nfs/dbraw/zinc/88/35/66/569883566.db2.gz JLCCNYVTIWRPIZ-OAQYLSRUSA-N 0 1 452.559 1.048 50 0 JDAAMN CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccc(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000229888074 570041797 /nfs/dbraw/zinc/04/17/97/570041797.db2.gz CXBGOBGJHGGWIE-VNHUITGYSA-N 0 1 456.539 1.641 50 0 biogenic JDAAMN COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000247814879 570069729 /nfs/dbraw/zinc/06/97/29/570069729.db2.gz FRZXJZPCLKMHAP-FIXDAVPBSA-N 0 1 467.909 1.934 50 0 JDAAMN CCOC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000248121647 570074738 /nfs/dbraw/zinc/07/47/38/570074738.db2.gz SELFMECKQZVAPJ-SRCYTUNASA-N 0 1 461.518 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/nfs/dbraw/zinc/83/12/99/555831299.db2.gz LKXKWJGXSBMDNT-OAQYLSRUSA-N 0 1 450.555 1.144 50 0 JDAAMN CCN1CCCC[C@@H]1C(=O)N1CC(=O)N(CC2CCOCC2)C[C@H](OCc2cccnc2)C1 ZINC000014541534 555832096 /nfs/dbraw/zinc/83/20/96/555832096.db2.gz NHAMPNLVCMYLHW-XZOQPEGZSA-N 0 1 458.603 1.939 50 0 JDAAMN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1=O ZINC000011858257 555837913 /nfs/dbraw/zinc/83/79/13/555837913.db2.gz YKNVRRZLFLDPLV-INIZCTEOSA-N 0 1 478.596 1.552 50 0 JDAAMN Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCCN1CCOCC1 ZINC000020589451 555837950 /nfs/dbraw/zinc/83/79/50/555837950.db2.gz ZUOLLMDEWLQUTP-UHFFFAOYSA-N 0 1 450.543 1.423 50 0 JDAAMN CCc1nc(SCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)n[nH]1 ZINC000021588026 555853254 /nfs/dbraw/zinc/85/32/54/555853254.db2.gz CFNJYZNTKDZULF-UHFFFAOYSA-N 0 1 455.562 1.010 50 0 JDAAMN CCc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)n1 ZINC000021588026 555853257 /nfs/dbraw/zinc/85/32/57/555853257.db2.gz CFNJYZNTKDZULF-UHFFFAOYSA-N 0 1 455.562 1.010 50 0 JDAAMN O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2 ZINC000012037274 555890438 /nfs/dbraw/zinc/89/04/38/555890438.db2.gz DZXPHMCYSGUREV-UHFFFAOYSA-N 0 1 453.518 1.706 50 0 JDAAMN COC(=O)c1ccc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1 ZINC000012055438 555898167 /nfs/dbraw/zinc/89/81/67/555898167.db2.gz LYIMAYZUOZYALY-IBGZPJMESA-N 0 1 470.574 1.528 50 0 JDAAMN COc1ccc(OCC(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1 ZINC000012055787 555898549 /nfs/dbraw/zinc/89/85/49/555898549.db2.gz RMQFUZRGZXXVOY-HXUWFJFHSA-N 0 1 472.590 1.515 50 0 JDAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000022281603 555917132 /nfs/dbraw/zinc/91/71/32/555917132.db2.gz DBTMPMMCSLEOJT-UHFFFAOYSA-N 0 1 458.496 1.310 50 0 JDAAMN Cc1cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022406112 555929387 /nfs/dbraw/zinc/92/93/87/555929387.db2.gz GKTFQIWCCYTHSC-UHFFFAOYSA-N 0 1 450.543 1.537 50 0 JDAAMN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022409219 555930172 /nfs/dbraw/zinc/93/01/72/555930172.db2.gz KBBIJERUWIBKDZ-UHFFFAOYSA-N 0 1 464.570 1.845 50 0 JDAAMN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022409222 555930280 /nfs/dbraw/zinc/93/02/80/555930280.db2.gz IENYOZXQOXJTJR-UHFFFAOYSA-N 0 1 468.533 1.676 50 0 JDAAMN CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1coc3c1C(=O)CCC3)CC2 ZINC000012193881 555940378 /nfs/dbraw/zinc/94/03/78/555940378.db2.gz WEAVNUBBXBDBCG-QGZVFWFLSA-N 0 1 470.574 1.854 50 0 JDAAMN O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC(c1ccc(Br)cc1)=N2)N1CCOCC1 ZINC000015682402 555952203 /nfs/dbraw/zinc/95/22/03/555952203.db2.gz JJLSWLNUMKSJAS-UHFFFAOYSA-N 0 1 486.369 1.840 50 0 JDAAMN CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022851241 555956960 /nfs/dbraw/zinc/95/69/60/555956960.db2.gz ZKSSKWZVORTIJR-LJQANCHMSA-N 0 1 458.946 1.790 50 0 JDAAMN COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 ZINC000022851267 555957185 /nfs/dbraw/zinc/95/71/85/555957185.db2.gz YTJIMWRBGSXBJP-OAQYLSRUSA-N 0 1 468.554 1.188 50 0 JDAAMN CN(CC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)c1nnc(N2CCCC2=O)s1 ZINC000015777275 555996925 /nfs/dbraw/zinc/99/69/25/555996925.db2.gz NGKOHKWKSQLHSY-UHFFFAOYSA-N 0 1 475.594 1.569 50 0 JDAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)CC1 ZINC000015823394 556011683 /nfs/dbraw/zinc/01/16/83/556011683.db2.gz AZZUJBJJIBBODK-OAQYLSRUSA-N 0 1 476.643 1.941 50 0 JDAAMN COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000023129456 556019004 /nfs/dbraw/zinc/01/90/04/556019004.db2.gz MFBPIIWFVZXAMY-UHFFFAOYSA-N 0 1 450.543 1.998 50 0 JDAAMN Cc1ccc(CN2CCCN(C(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 ZINC000023243381 556033684 /nfs/dbraw/zinc/03/36/84/556033684.db2.gz GGJWCSCQOLENAS-UHFFFAOYSA-N 0 1 472.611 1.710 50 0 JDAAMN COc1ccc(OC)c(CC(=O)N2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)c1 ZINC000023362969 556049857 /nfs/dbraw/zinc/04/98/57/556049857.db2.gz 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/nfs/dbraw/zinc/80/78/79/555807879.db2.gz LROXQNSDZVYEET-UHFFFAOYSA-N 0 1 460.604 1.528 50 0 JDAAMN CCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nn2)CC1 ZINC000020555389 555807902 /nfs/dbraw/zinc/80/79/02/555807902.db2.gz HIUFZWKGBFKTDQ-UHFFFAOYSA-N 0 1 495.447 1.892 50 0 JDAAMN COc1cccc(OC)c1C(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1 ZINC000011783511 555814515 /nfs/dbraw/zinc/81/45/15/555814515.db2.gz JBWYYLOROMPJIA-KRWDZBQOSA-N 0 1 472.590 1.759 50 0 JDAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566101 555820258 /nfs/dbraw/zinc/82/02/58/555820258.db2.gz BDKIGIFEXDTMRD-ZFCANOHDSA-N 0 1 450.333 1.862 50 0 JDAAMN Cn1c2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CCO)c2c(=O)[nH]c1=O ZINC000020573136 555824897 /nfs/dbraw/zinc/82/48/97/555824897.db2.gz SIDVJOKCLJCJOP-UHFFFAOYSA-N 0 1 460.538 1.327 50 0 JDAAMN COc1ccc(OC)c(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1 ZINC000014998990 555843314 /nfs/dbraw/zinc/84/33/14/555843314.db2.gz 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COc1ccc(OCC(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1 ZINC000012055791 555898483 /nfs/dbraw/zinc/89/84/83/555898483.db2.gz RMQFUZRGZXXVOY-FQEVSTJZSA-N 0 1 472.590 1.515 50 0 JDAAMN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCNCC4)c1)N(C)CC3)OCO2 ZINC000015415367 555907279 /nfs/dbraw/zinc/90/72/79/555907279.db2.gz SVOJDGZEHFMELB-HXUWFJFHSA-N 0 1 477.525 1.022 50 0 biogenic JDAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccncc2)CC1 ZINC000015480223 555910742 /nfs/dbraw/zinc/91/07/42/555910742.db2.gz FMPGTDDEHLHBER-UHFFFAOYSA-N 0 1 459.572 1.497 50 0 JDAAMN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022374437 555927563 /nfs/dbraw/zinc/92/75/63/555927563.db2.gz BKVYJUVLJDKDNN-UHFFFAOYSA-N 0 1 468.533 1.676 50 0 JDAAMN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)n1CCCN1CCOCC1 ZINC000022406136 555929525 /nfs/dbraw/zinc/92/95/25/555929525.db2.gz ICFQQKIEQRRJJZ-UHFFFAOYSA-N 0 1 454.506 1.368 50 0 JDAAMN CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)Cc1cc(F)ccc1F)CC2 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COc1cccc(CN(CC(=O)N2CCNCC2)S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000015864237 556038949 /nfs/dbraw/zinc/03/89/49/556038949.db2.gz JTWWANROBXIZOO-UHFFFAOYSA-N 0 1 467.975 1.980 50 0 JDAAMN CCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)nn2)CC1 ZINC000015882346 556056128 /nfs/dbraw/zinc/05/61/28/556056128.db2.gz CARWWUYXEHBBIH-UHFFFAOYSA-N 0 1 476.603 1.147 50 0 JDAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000015936295 556073789 /nfs/dbraw/zinc/07/37/89/556073789.db2.gz KXFBYQQWLNTXBC-NRFANRHFSA-N 0 1 468.510 1.917 50 0 JDAAMN O=C(CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000023718644 556085762 /nfs/dbraw/zinc/08/57/62/556085762.db2.gz JRTQCWKFLJXJGA-UHFFFAOYSA-N 0 1 499.077 1.798 50 0 JDAAMN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000015957591 556089050 /nfs/dbraw/zinc/08/90/50/556089050.db2.gz VEBXYTMHRDGZLW-QJHDXQOESA-N 0 1 482.924 1.535 50 0 biogenic JDAAMN 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