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NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624894 781764392 /nfs/dbraw/zinc/76/43/92/781764392.db2.gz ZSRXHLASWUPFTH-MRVPVSSYSA-N -1 3 312.311 -2.009 20 0 DAADHM CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001185806961 781766823 /nfs/dbraw/zinc/76/68/23/781766823.db2.gz PLIDXXCNMXCGGT-GHMZBOCLSA-N -1 3 324.385 -1.286 20 0 DAADHM CC[C@H](C(=O)NCCNCc1nc(=O)n(C)[n-]1)N1CCCC1=O ZINC001151529091 781769708 /nfs/dbraw/zinc/76/97/08/781769708.db2.gz CBQCBGOTGDPWKC-SNVBAGLBSA-N -1 3 324.385 -1.285 20 0 DAADHM CN(C)C(=O)CC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001186164011 781774254 /nfs/dbraw/zinc/77/42/54/781774254.db2.gz KUVZCDDQFHDOLD-SECBINFHSA-N -1 3 310.358 -1.723 20 0 DAADHM NC(=O)NCCC(=O)N1CCC(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001203644981 781788130 /nfs/dbraw/zinc/78/81/30/781788130.db2.gz YMVFPKDECUVIKR-UHFFFAOYSA-N -1 3 311.346 -1.351 20 0 DAADHM NC(=O)CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccco1 ZINC001186886006 781791314 /nfs/dbraw/zinc/79/13/14/781791314.db2.gz 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ZINC001189437623 781841842 /nfs/dbraw/zinc/84/18/42/781841842.db2.gz UBQCWCXCXQDLFC-MRVPVSSYSA-N -1 3 307.310 -1.674 20 0 DAADHM CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CNC(=O)N1 ZINC001273581984 781843233 /nfs/dbraw/zinc/84/32/33/781843233.db2.gz NTQCWLYDCDIDAL-QMMMGPOBSA-N -1 3 311.346 -2.272 20 0 DAADHM CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CNC(=O)N1 ZINC001273581982 781845470 /nfs/dbraw/zinc/84/54/70/781845470.db2.gz NTQCWLYDCDIDAL-MRVPVSSYSA-N -1 3 311.346 -2.272 20 0 DAADHM COc1cc([O-])c(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c(OC)c1 ZINC001190148041 781862170 /nfs/dbraw/zinc/86/21/70/781862170.db2.gz HPWDWRVLEMAZGA-AVGNSLFASA-N -1 3 323.353 -1.458 20 0 DAADHM C[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)c1cn(C)nn1 ZINC001376905205 921744665 /nfs/dbraw/zinc/74/46/65/921744665.db2.gz BVXQOKMQVBTHPN-SSDOTTSWSA-N -1 3 305.298 -1.141 20 0 DAADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)NC(=O)c1cn[n-]n1 ZINC001377134645 921770991 /nfs/dbraw/zinc/77/09/91/921770991.db2.gz ZZHVVOSOHVRNEJ-SSDOTTSWSA-N -1 3 305.298 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916096312 /nfs/dbraw/zinc/09/63/12/916096312.db2.gz MJEZHOCPQUAPQI-KXUCPTDWSA-N -1 3 310.358 -1.422 20 0 DAADHM Cn1cnc(C(=O)N[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001022043317 916096606 /nfs/dbraw/zinc/09/66/06/916096606.db2.gz DJLDTFKVMIGKAV-OCAPTIKFSA-N -1 3 306.330 -1.713 20 0 DAADHM Cn1[n-]c(CN[C@H]2C[C@@H](NC(=O)Cc3cncnc3)C2)nc1=O ZINC001022021570 916097008 /nfs/dbraw/zinc/09/70/08/916097008.db2.gz YLARBXKMOPVHAE-PHIMTYICSA-N -1 3 317.353 -1.122 20 0 DAADHM CN1C(=O)CN(CC(=O)N2CCc3c(=O)[n-]cnc3C2)C1=O ZINC001138215002 916143250 /nfs/dbraw/zinc/14/32/50/916143250.db2.gz SFEVSLYNCXDHMA-UHFFFAOYSA-N -1 3 305.294 -1.039 20 0 DAADHM CN(CCNCc1cncn1C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001266761788 916184866 /nfs/dbraw/zinc/18/48/66/916184866.db2.gz PEKLHIUQEPLQDB-UHFFFAOYSA-N -1 3 307.314 -1.122 20 0 DAADHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc3c(=O)[nH]ccn23)nn1 ZINC001309869205 916204359 /nfs/dbraw/zinc/20/43/59/916204359.db2.gz QUCOZTRBCVPCBM-UHFFFAOYSA-N -1 3 321.322 -1.005 20 0 DAADHM 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-1.332 20 0 DAADHM Cn1[n-]c(CNC[C@@H](NC(=O)CC(N)=O)C(C)(C)C)nc1=O ZINC001332779087 917411113 /nfs/dbraw/zinc/41/11/13/917411113.db2.gz YJZMFEZDJOJNJV-MRVPVSSYSA-N -1 3 312.374 -1.396 20 0 DAADHM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC001333805442 917462879 /nfs/dbraw/zinc/46/28/79/917462879.db2.gz SPYAXVDUFVCKCO-LBPRGKRZSA-N -1 3 318.399 -1.666 20 0 DAADHM CO[N-]C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC001335145177 917526318 /nfs/dbraw/zinc/52/63/18/917526318.db2.gz RNXRXMPYTHRPRJ-SNVBAGLBSA-N -1 3 300.359 -1.279 20 0 DAADHM CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC001335720181 917559436 /nfs/dbraw/zinc/55/94/36/917559436.db2.gz XYJAHBXMZHDLCL-SNVBAGLBSA-N -1 3 300.359 -1.229 20 0 DAADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)CN(C)C(=O)C(N)=O ZINC001337419501 917618939 /nfs/dbraw/zinc/61/89/39/917618939.db2.gz CDEDDOLQBIICPE-MRVPVSSYSA-N -1 3 323.353 -1.128 20 0 DAADHM CCCOCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC001345792228 917859135 /nfs/dbraw/zinc/85/91/35/917859135.db2.gz HFFAOJQDJAIUML-GXSJLCMTSA-N -1 3 311.342 -1.077 20 0 DAADHM O=C(NCCNC(=O)[C@@H]1COC(=O)N1)c1cccc2n[n-]nc21 ZINC001348895724 917977063 /nfs/dbraw/zinc/97/70/63/917977063.db2.gz YJSHGBVTAMSTEH-VIFPVBQESA-N -1 3 318.293 -1.088 20 0 DAADHM O=C(NCCNC(=O)[C@H]1COC(=O)N1)c1cccc2n[n-]nc21 ZINC001348895723 917977536 /nfs/dbraw/zinc/97/75/36/917977536.db2.gz YJSHGBVTAMSTEH-SECBINFHSA-N -1 3 318.293 -1.088 20 0 DAADHM CC[C@H](C(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)C ZINC001349247578 918007066 /nfs/dbraw/zinc/00/70/66/918007066.db2.gz HFLYZLJIXYWNLB-MRVPVSSYSA-N -1 3 314.346 -1.738 20 0 DAADHM O=C(CCCN1C(=O)CNC1=O)[N-]OCCN1CCCC1=O ZINC001351096448 918083951 /nfs/dbraw/zinc/08/39/51/918083951.db2.gz YYFRMPBCEVRXKJ-UHFFFAOYSA-N -1 3 312.326 -1.011 20 0 DAADHM O=C(NCC1CC1)C(=O)N[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001353638723 918156087 /nfs/dbraw/zinc/15/60/87/918156087.db2.gz BFDNJOPPTFOPMU-KYZUINATSA-N -1 3 306.326 -1.292 20 0 DAADHM 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Cc1ccnn1CC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[n-]1 ZINC001439258860 928610523 /nfs/dbraw/zinc/61/05/23/928610523.db2.gz DWQGNRKPMQBENP-VIFPVBQESA-N -1 3 307.358 -1.092 20 0 DAADHM Cn1[n-]c(CNC[C@H](NC(=O)C2=COCCO2)C2CC2)nc1=O ZINC001439453027 928621352 /nfs/dbraw/zinc/62/13/52/928621352.db2.gz XZOXBAGKAGRITB-JTQLQIEISA-N -1 3 323.353 -1.019 20 0 DAADHM CCn1nncc1C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CC1 ZINC001439601001 928634401 /nfs/dbraw/zinc/63/44/01/928634401.db2.gz HPDNHHSALIEFTO-UHFFFAOYSA-N -1 3 320.357 -1.228 20 0 DAADHM Cn1[n-]c(CNC2(CNC(=O)c3cn[nH]c(=O)c3)CC2)nc1=O ZINC001439621459 928634937 /nfs/dbraw/zinc/63/49/37/928634937.db2.gz ZCPISVQAIQYAHF-UHFFFAOYSA-N -1 3 319.325 -1.344 20 0 DAADHM Cc1nonc1CC(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CC1 ZINC001439663335 928637005 /nfs/dbraw/zinc/63/70/05/928637005.db2.gz DHYCTIBNZFQRKN-UHFFFAOYSA-N -1 3 321.341 -1.219 20 0 DAADHM CN(C)C(=O)CN1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001439994233 928659943 /nfs/dbraw/zinc/65/99/43/928659943.db2.gz 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928723619 /nfs/dbraw/zinc/72/36/19/928723619.db2.gz ZBZOHTROEMLIHX-UHFFFAOYSA-N -1 3 323.353 -1.233 20 0 DAADHM CN(CCCN(C)C(=O)[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1 ZINC001440426573 928723876 /nfs/dbraw/zinc/72/38/76/928723876.db2.gz KOYMACKFPMMBNK-SNVBAGLBSA-N -1 3 324.385 -1.333 20 0 DAADHM CCCNC(=O)CN1CC2(C1)C[C@@H](NC(=O)c1cn[n-]n1)CO2 ZINC001440505671 928729003 /nfs/dbraw/zinc/72/90/03/928729003.db2.gz QEPQJGOSMPMZRH-SNVBAGLBSA-N -1 3 322.369 -1.096 20 0 DAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H](C)NC(=O)c1cnnn1C ZINC001440803893 928747070 /nfs/dbraw/zinc/74/70/70/928747070.db2.gz SVEVERWRXZXOBH-HTQZYQBOSA-N -1 3 308.346 -1.467 20 0 DAADHM Cn1[n-]c(CN[C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nc1=O ZINC001441331448 928782805 /nfs/dbraw/zinc/78/28/05/928782805.db2.gz YWODTWXJAXVUBF-JTQLQIEISA-N -1 3 322.369 -1.675 20 0 DAADHM C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)NCc1nc(=O)n(C)[n-]1 ZINC001441504779 928795284 /nfs/dbraw/zinc/79/52/84/928795284.db2.gz AFZZMWIPTCIFRP-NXEZZACHSA-N -1 3 322.373 -1.102 20 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C[C@H](C(=O)NC[C@H](O)CNCc1nc(=O)n(C)[n-]1)n1cccc1 ZINC001445150330 929169577 /nfs/dbraw/zinc/16/95/77/929169577.db2.gz HOCAJYLTDVVKLQ-GHMZBOCLSA-N -1 3 322.369 -1.262 20 0 DAADHM Cn1cnnc1CNC[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001445179171 929177681 /nfs/dbraw/zinc/17/76/81/929177681.db2.gz CHYTVRGUIBZWNI-MRVPVSSYSA-N -1 3 307.314 -1.809 20 0 DAADHM C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)Cc1ccn(C)n1 ZINC001445363559 929217262 /nfs/dbraw/zinc/21/72/62/929217262.db2.gz ZNONULPCCJCIGI-SECBINFHSA-N -1 3 307.358 -1.321 20 0 DAADHM Cc1nonc1CC(=O)N[C@H](C)CNCc1nc(=O)n(C)[n-]1 ZINC001445477622 929223344 /nfs/dbraw/zinc/22/33/44/929223344.db2.gz RGULLLKDZMVWKL-SSDOTTSWSA-N -1 3 309.330 -1.363 20 0 DAADHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)CCc1cn(C)nn1 ZINC001445659294 929247433 /nfs/dbraw/zinc/24/74/33/929247433.db2.gz VXHQQENVKOPUTC-VIFPVBQESA-N -1 3 322.373 -1.536 20 0 DAADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001445667733 929249998 /nfs/dbraw/zinc/24/99/98/929249998.db2.gz 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/nfs/dbraw/zinc/95/00/22/928950022.db2.gz IYWLIICCYODQMR-JGVFFNPUSA-N -1 3 319.325 -1.165 20 0 DAADHM CC(C)NC(=O)NC(=O)[C@H](C)N1CC(NC(=O)c2cn[n-]n2)C1 ZINC001443495931 929008796 /nfs/dbraw/zinc/00/87/96/929008796.db2.gz FZJLBOWRAUJYQT-QMMMGPOBSA-N -1 3 323.357 -1.159 20 0 DAADHM Cn1[n-]c(CN2CC(NC(=O)CCc3cn[nH]n3)C2)nc1=O ZINC001443514161 929010480 /nfs/dbraw/zinc/01/04/80/929010480.db2.gz PJJSDOBLZYDWNE-UHFFFAOYSA-N -1 3 306.330 -1.840 20 0 DAADHM CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)NCc1nc(=O)n(C)[n-]1 ZINC001443904573 929035422 /nfs/dbraw/zinc/03/54/22/929035422.db2.gz DLGWGKCOXGUOOR-NSHDSACASA-N -1 3 324.385 -1.429 20 0 DAADHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1COC(=O)N1)c1ccccc1[O-] ZINC001444084882 929050400 /nfs/dbraw/zinc/05/04/00/929050400.db2.gz ASVWCDQYGDEZIS-WPRPVWTQSA-N -1 3 323.305 -1.293 20 0 DAADHM CO[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)c1cnc[n-]c1=O ZINC001444109848 929059053 /nfs/dbraw/zinc/05/90/53/929059053.db2.gz MLNAUEUVNCGZNT-DTWKUNHWSA-N -1 3 312.326 -1.186 20 0 DAADHM O=C(N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1)c1ccccc1[O-] ZINC001444122276 929063894 /nfs/dbraw/zinc/06/38/94/929063894.db2.gz YPRFHSGMRMBHLI-MWLCHTKSSA-N -1 3 321.333 -1.122 20 0 DAADHM O=C(N[C@H](CO)CNC(=O)c1ccc(F)cn1)c1cn[n-]n1 ZINC001444158443 929070787 /nfs/dbraw/zinc/07/07/87/929070787.db2.gz KYBYPWUTWHLEGJ-QMMMGPOBSA-N -1 3 308.273 -1.141 20 0 DAADHM CCn1cc(C(=O)NC[C@@H](CO)NC(=O)c2cn[n-]n2)c(C)n1 ZINC001444179480 929076461 /nfs/dbraw/zinc/07/64/61/929076461.db2.gz KQYSDSQACYJOQT-VIFPVBQESA-N -1 3 321.341 -1.150 20 0 DAADHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cn[n-]n1 ZINC001444272835 929099672 /nfs/dbraw/zinc/09/96/72/929099672.db2.gz SNZVGRDTGHUJTI-DFPQRNHTSA-N -1 3 321.337 -1.565 20 0 DAADHM O=C(N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1cnc[n-]c1=O ZINC001444277477 929101883 /nfs/dbraw/zinc/10/18/83/929101883.db2.gz SDTLHDATIALSRH-CPOMMVLXSA-N -1 3 322.321 -1.719 20 0 DAADHM O=C(CCn1cccc1)NC[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC001444294739 929105926 /nfs/dbraw/zinc/10/59/26/929105926.db2.gz QGOBDJIUAJWSNK-JTQLQIEISA-N -1 3 306.326 -1.097 20 0 DAADHM COc1ncc(C(=O)NC[C@@H](CO)[N-]C(=O)C(F)F)cn1 ZINC001444309227 929107995 /nfs/dbraw/zinc/10/79/95/929107995.db2.gz LWCQPQKHEJVMDC-ZETCQYMHSA-N -1 3 304.253 -1.043 20 0 DAADHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)C1=COCCO1 ZINC001444565057 929128854 /nfs/dbraw/zinc/12/88/54/929128854.db2.gz CPSXEMHYMUZRKI-VIFPVBQESA-N -1 3 311.342 -1.067 20 0 DAADHM CN(C[C@H](O)CNC(=O)[C@@H]1CCOC1)C(=O)c1cnc[n-]c1=O ZINC001444678384 929144386 /nfs/dbraw/zinc/14/43/86/929144386.db2.gz RIHPCXAFCOOYNO-NXEZZACHSA-N -1 3 324.337 -1.232 20 0 DAADHM CSC[C@H](C)C(=O)NC[C@H](O)CNCc1nc(=O)n(C)[n-]1 ZINC001445151770 929170005 /nfs/dbraw/zinc/17/00/05/929170005.db2.gz JJVQBKQEDDMIHE-DTWKUNHWSA-N -1 3 317.415 -1.326 20 0 DAADHM Cc1nnccc1C(=O)NC[C@@H](O)CNCc1nc(=O)n(C)[n-]1 ZINC001445203295 929184965 /nfs/dbraw/zinc/18/49/65/929184965.db2.gz NBBNXNVKZWFMNG-VIFPVBQESA-N -1 3 321.341 -1.913 20 0 DAADHM Cn1[n-]c(CNC[C@H](O)CNC(=O)c2cccnn2)nc1=O ZINC001445253121 929200042 /nfs/dbraw/zinc/20/00/42/929200042.db2.gz MYOZYEMUEQEWMB-QMMMGPOBSA-N -1 3 307.314 -2.221 20 0 DAADHM Cn1[n-]c(CNC[C@@H](O)CNC(=O)c2cccnn2)nc1=O ZINC001445253119 929200095 /nfs/dbraw/zinc/20/00/95/929200095.db2.gz MYOZYEMUEQEWMB-MRVPVSSYSA-N -1 3 307.314 -2.221 20 0 DAADHM C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001445393519 929221585 /nfs/dbraw/zinc/22/15/85/929221585.db2.gz FBGNUXSCYVFQLI-HTQZYQBOSA-N -1 3 319.387 -1.864 20 0 DAADHM CO[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001445498339 929226484 /nfs/dbraw/zinc/22/64/84/929226484.db2.gz OLFFYIZGYBXVMZ-FBIMIBRVSA-N -1 3 324.337 -1.091 20 0 DAADHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001445613593 929239137 /nfs/dbraw/zinc/23/91/37/929239137.db2.gz FWUOLXXCISBZEW-DTWKUNHWSA-N -1 3 310.358 -1.629 20 0 DAADHM CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001445627270 929241852 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DAADHM O=C(NC[C@]1(O)CCN(Cc2cnon2)C1)c1cnc[n-]c1=O ZINC001446768905 929315489 /nfs/dbraw/zinc/31/54/89/929315489.db2.gz ZHQBFOIFLYUDSJ-CYBMUJFWSA-N -1 3 320.309 -1.068 20 0 DAADHM O=C(NCC1(O)CN(C[C@H]2CCOC2)C1)c1cnc[n-]c1=O ZINC001446857630 929341305 /nfs/dbraw/zinc/34/13/05/929341305.db2.gz URXATTRYRKAUPU-SNVBAGLBSA-N -1 3 308.338 -1.005 20 0 DAADHM CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001447064054 929367636 /nfs/dbraw/zinc/36/76/36/929367636.db2.gz ZSXJFSHOFGCZHU-VIFPVBQESA-N -1 3 313.358 -1.418 20 0 DAADHM Cn1nncc1C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CCC1 ZINC001447201509 929375721 /nfs/dbraw/zinc/37/57/21/929375721.db2.gz RJNQLKVYFTXIME-UHFFFAOYSA-N -1 3 320.357 -1.321 20 0 DAADHM CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1c[n-]n2c1nccc2=O ZINC001447890612 929417227 /nfs/dbraw/zinc/41/72/27/929417227.db2.gz DTDPDLCHEDXVDP-IUCAKERBSA-N -1 3 320.353 -1.135 20 0 DAADHM CC(=O)N[C@@H](CC(=O)N1CCc2nc[n-]c(=O)c2C1)C(N)=O ZINC001447938062 929419090 /nfs/dbraw/zinc/41/90/90/929419090.db2.gz 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Cn1c(CCCNC(=O)Cc2[nH]c(O)nc2O)n[n-]c1=S ZINC001450266306 929614367 /nfs/dbraw/zinc/61/43/67/929614367.db2.gz DPWKHTAVRXZHQQ-LURJTMIESA-N -1 3 312.355 -1.249 20 0 DAADHM CCC(=O)NCC(=O)NC1CN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001450305631 929618943 /nfs/dbraw/zinc/61/89/43/929618943.db2.gz TXWNMBJGOJVAQH-UHFFFAOYSA-N -1 3 321.337 -1.043 20 0 DAADHM CO[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001513390905 929631489 /nfs/dbraw/zinc/63/14/89/929631489.db2.gz CFZOKBJGPDLTCG-WHGOUJPWSA-N -1 3 324.341 -1.715 20 0 DAADHM CCC[C@@H](OC)C(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001513561036 929640400 /nfs/dbraw/zinc/64/04/00/929640400.db2.gz KRQOKDICJGHFMB-OUAUKWLOSA-N -1 3 311.342 -1.079 20 0 DAADHM COCCOCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001513560543 929641582 /nfs/dbraw/zinc/64/15/82/929641582.db2.gz GPJXLOZIIVXOAB-ZJUUUORDSA-N -1 3 313.314 -2.231 20 0 DAADHM COC[C@@H](OC)C(=O)NCCNC(=O)c1c(C)nc[n-]c1=O ZINC001522789498 929703075 /nfs/dbraw/zinc/70/30/75/929703075.db2.gz VHNHKHHCMGXHNM-SECBINFHSA-N -1 3 312.326 -1.002 20 0 DAADHM CC(=O)N[C@@H](C)C(=O)NCCCNC(=O)c1cnc[n-]c1=O ZINC001522822634 929705129 /nfs/dbraw/zinc/70/51/29/929705129.db2.gz JEEUYTQUJFHPTI-QMMMGPOBSA-N -1 3 309.326 -1.057 20 0 DAADHM CCC(=O)NCC(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC001524359794 929742133 /nfs/dbraw/zinc/74/21/33/929742133.db2.gz HBIFJABRBISXSR-SECBINFHSA-N -1 3 308.342 -1.045 20 0 DAADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC001524336169 929742722 /nfs/dbraw/zinc/74/27/22/929742722.db2.gz BQRNEHBYFNKVEW-SNVBAGLBSA-N -1 3 308.342 -1.092 20 0 DAADHM C[C@@H](CNC(=O)[C@H]1CCCNC1=O)NC(=O)c1cnc[n-]c1=O ZINC001526679665 929766923 /nfs/dbraw/zinc/76/69/23/929766923.db2.gz JDLYNECXKMRLCV-IUCAKERBSA-N -1 3 321.337 -1.057 20 0 DAADHM CCN(CCNC(=O)Cn1cnnn1)C(=O)c1cnc[n-]c1=O ZINC001528744751 929818452 /nfs/dbraw/zinc/81/84/52/929818452.db2.gz YYWUKOHPDZZCBA-UHFFFAOYSA-N -1 3 320.313 -1.553 20 0 DAADHM 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678548781 /nfs/dbraw/zinc/54/87/81/678548781.db2.gz ZWUBDVKTJBTWGQ-RKDXNWHRSA-N -1 3 321.345 -1.619 20 0 DAADHM C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048345096 678549690 /nfs/dbraw/zinc/54/96/90/678549690.db2.gz RTOQUGVTGDAJQM-HTQZYQBOSA-N -1 3 321.345 -1.468 20 0 DAADHM C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048365346 678549885 /nfs/dbraw/zinc/54/98/85/678549885.db2.gz IHLCKYRKHPJZEI-DTWKUNHWSA-N -1 3 322.369 -1.040 20 0 DAADHM C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048345099 678549901 /nfs/dbraw/zinc/54/99/01/678549901.db2.gz RTOQUGVTGDAJQM-SFYZADRCSA-N -1 3 321.345 -1.468 20 0 DAADHM C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048461249 678551565 /nfs/dbraw/zinc/55/15/65/678551565.db2.gz WOQPPKPXKLYHTI-UWVGGRQHSA-N -1 3 320.357 -1.014 20 0 DAADHM CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[n-]c2=O)C1 ZINC001049011081 678570188 /nfs/dbraw/zinc/57/01/88/678570188.db2.gz NHWGGTRECFASBH-QWRGUYRKSA-N 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678599156 /nfs/dbraw/zinc/59/91/56/678599156.db2.gz FGNNXFYNGNBTQZ-VIFPVBQESA-N -1 3 321.337 -1.417 20 0 DAADHM NC(=O)CN1CC2(C1)C[C@H](NC(=O)c1cnc[n-]c1=O)CO2 ZINC001053838425 678617369 /nfs/dbraw/zinc/61/73/69/678617369.db2.gz BBISHGJQXVRBHH-QMMMGPOBSA-N -1 3 307.310 -1.759 20 0 DAADHM C[C@@H](C(N)=O)N1CC2(C1)C[C@@H](NC(=O)c1cnc[n-]c1=O)CO2 ZINC001053839067 678617394 /nfs/dbraw/zinc/61/73/94/678617394.db2.gz UUXKTMVEHUHQGI-DTWKUNHWSA-N -1 3 321.337 -1.371 20 0 DAADHM CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)c1cnc[n-]c1=O)CO2 ZINC001053838634 678617484 /nfs/dbraw/zinc/61/74/84/678617484.db2.gz HZKWJYAMHYXORB-SECBINFHSA-N -1 3 321.337 -1.499 20 0 DAADHM Cn1nncc1CN1CC2(C1)C[C@@H](NC(=O)c1cn[n-]n1)CO2 ZINC001053861276 678618785 /nfs/dbraw/zinc/61/87/85/678618785.db2.gz FYOVRZFANCMKHF-SECBINFHSA-N -1 3 318.341 -1.294 20 0 DAADHM Cn1nnc(CN2CC3(C2)C[C@@H](NC(=O)c2cn[n-]n2)CO3)n1 ZINC001053861864 678618846 /nfs/dbraw/zinc/61/88/46/678618846.db2.gz XRTJONZQRLJFMC-MRVPVSSYSA-N -1 3 319.329 -1.899 20 0 DAADHM Cn1cc(CN2CC3(C2)C[C@@H](NC(=O)c2cn[n-]n2)CO3)nn1 ZINC001053861530 678618904 /nfs/dbraw/zinc/61/89/04/678618904.db2.gz MWSCLDDVKNPQSQ-SECBINFHSA-N -1 3 318.341 -1.294 20 0 DAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053902335 678621202 /nfs/dbraw/zinc/62/12/02/678621202.db2.gz ZZNSMJLVUUAGJA-SECBINFHSA-N -1 3 321.337 -1.451 20 0 DAADHM C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054364837 678629936 /nfs/dbraw/zinc/62/99/36/678629936.db2.gz CNZJGYGMGBXHNL-RKDXNWHRSA-N -1 3 321.345 -2.268 20 0 DAADHM C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054356440 678630107 /nfs/dbraw/zinc/63/01/07/678630107.db2.gz FPMBLQADOZCPBY-ZJUUUORDSA-N -1 3 323.353 -1.067 20 0 DAADHM C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054617802 678632677 /nfs/dbraw/zinc/63/26/77/678632677.db2.gz JJMLCWMTUNYCQY-DTWKUNHWSA-N -1 3 320.357 -1.513 20 0 DAADHM C[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCC(N)=O ZINC001054847823 678635409 /nfs/dbraw/zinc/63/54/09/678635409.db2.gz OCMBNCHQLKZIPG-CBAPKCEASA-N -1 3 324.341 -1.863 20 0 DAADHM C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054981298 678636825 /nfs/dbraw/zinc/63/68/25/678636825.db2.gz MJCOBJLHTJTHSA-JGVFFNPUSA-N -1 3 321.345 -2.118 20 0 DAADHM C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054981297 678637165 /nfs/dbraw/zinc/63/71/65/678637165.db2.gz MJCOBJLHTJTHSA-HTQZYQBOSA-N -1 3 321.345 -2.118 20 0 DAADHM CO[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn[n-]n2)C1 ZINC001056003733 678653981 /nfs/dbraw/zinc/65/39/81/678653981.db2.gz ZTBKXWGWVGYOPL-NOZJJQNGSA-N -1 3 311.342 -1.077 20 0 DAADHM O=C(N[C@]1(CO)CCCN(C(=O)[C@H]2CCOC2)C1)c1cn[n-]n1 ZINC001056002382 678654020 /nfs/dbraw/zinc/65/40/20/678654020.db2.gz OCZOWAYBKHLHPC-IINYFYTJSA-N -1 3 323.353 -1.076 20 0 DAADHM CO[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn[n-]n2)C1 ZINC001056003736 678654173 /nfs/dbraw/zinc/65/41/73/678654173.db2.gz ZTBKXWGWVGYOPL-TVQRCGJNSA-N -1 3 311.342 -1.077 20 0 DAADHM O=C(N[C@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1)c1cn[n-]n1 ZINC001056006133 678654390 /nfs/dbraw/zinc/65/43/90/678654390.db2.gz ZWMWBZQZQSQTOW-CYBMUJFWSA-N -1 3 319.325 -1.075 20 0 DAADHM CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)c2cn[n-]n2)C1 ZINC001056005416 678654453 /nfs/dbraw/zinc/65/44/53/678654453.db2.gz JKONQRZGBVYBNS-ZDUSSCGKSA-N -1 3 324.341 -1.976 20 0 DAADHM CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)c2cn[n-]n2)C1 ZINC001056005916 678654614 /nfs/dbraw/zinc/65/46/14/678654614.db2.gz VHWDSIGWOJXEGO-CYBMUJFWSA-N -1 3 324.341 -1.976 20 0 DAADHM O=C(N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1)c1cn[n-]n1 ZINC001056004400 678654674 /nfs/dbraw/zinc/65/46/74/678654674.db2.gz AZYZGDDMCWVZQF-LBPRGKRZSA-N -1 3 321.297 -1.415 20 0 DAADHM NC(=O)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001056091044 678659060 /nfs/dbraw/zinc/65/90/60/678659060.db2.gz MKSCRUIIIRLJDW-OAHLLOKOSA-N -1 3 321.333 -1.039 20 0 DAADHM O=C(N[C@@H]1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]21)c1cn[n-]n1 ZINC001056470453 678663012 /nfs/dbraw/zinc/66/30/12/678663012.db2.gz MRJQWMRMLLDMGQ-IIDWOEFGSA-N -1 3 312.297 -1.498 20 0 DAADHM O=C(NCCN(CCO)C(=O)[C@H]1CCOC1)c1cnc[n-]c1=O ZINC001057150789 678695030 /nfs/dbraw/zinc/69/50/30/678695030.db2.gz YYHAGFQMTYCPEG-JTQLQIEISA-N -1 3 324.337 -1.231 20 0 DAADHM CNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cn[n-]n2)C1 ZINC001050545959 678719155 /nfs/dbraw/zinc/71/91/55/678719155.db2.gz OQTPNYQWIKJUTM-RKDXNWHRSA-N -1 3 308.342 -1.092 20 0 DAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001050696921 678727002 /nfs/dbraw/zinc/72/70/02/678727002.db2.gz IXGFZQHKHBHUTM-BDAKNGLRSA-N -1 3 323.357 -1.170 20 0 DAADHM CNC(=O)NCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cn[n-]n2)C1 ZINC001050943590 678738965 /nfs/dbraw/zinc/73/89/65/678738965.db2.gz PQJIRTIRDVDQBP-DTWKUNHWSA-N -1 3 323.357 -1.300 20 0 DAADHM CNC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cn[n-]n2)C1 ZINC001050943593 678738996 /nfs/dbraw/zinc/73/89/96/678738996.db2.gz PQJIRTIRDVDQBP-RKDXNWHRSA-N -1 3 323.357 -1.300 20 0 DAADHM C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001051017614 678742856 /nfs/dbraw/zinc/74/28/56/678742856.db2.gz MJEVBLMFOOKELA-SFYZADRCSA-N -1 3 307.310 -1.366 20 0 DAADHM CNC(=O)CN1CCOC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001051078959 678745607 /nfs/dbraw/zinc/74/56/07/678745607.db2.gz NTTLZVGMUWHROX-JTQLQIEISA-N -1 3 323.353 -1.333 20 0 DAADHM Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2nnc[nH]2)nc1=O ZINC001051171102 678748731 /nfs/dbraw/zinc/74/87/31/678748731.db2.gz PVVOKYVPUCJBEK-QMMMGPOBSA-N -1 3 322.329 -2.143 20 0 DAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001051365765 678754191 /nfs/dbraw/zinc/75/41/91/678754191.db2.gz DJEJQJOJDLVQBN-APPZFPTMSA-N -1 3 321.337 -1.057 20 0 DAADHM O=C(c1ccn[nH]1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051453642 678756038 /nfs/dbraw/zinc/75/60/38/678756038.db2.gz DJTHTWFPJHIDAX-QMMMGPOBSA-N -1 3 307.314 -1.136 20 0 DAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CC(N)=O)CCO2)nc1=O ZINC001051501930 678758775 /nfs/dbraw/zinc/75/87/75/678758775.db2.gz LWPRDEVTTFTFQS-QMMMGPOBSA-N -1 3 312.330 -2.699 20 0 DAADHM CCN1CCN([C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)CC1 ZINC001052113574 678786816 /nfs/dbraw/zinc/78/68/16/678786816.db2.gz ZRJBYFYFVISIDT-LLVKDONJSA-N -1 3 324.385 -1.072 20 0 DAADHM O=C(NCCN(CCO)C(=O)c1nc[nH]n1)c1cnc[n-]c1=O ZINC001058385049 678819378 /nfs/dbraw/zinc/81/93/78/678819378.db2.gz YTJVNXHMULEJSA-UHFFFAOYSA-N -1 3 321.297 -1.835 20 0 DAADHM Cc1nc[n-]c(=O)c1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058476918 678821903 /nfs/dbraw/zinc/82/19/03/678821903.db2.gz LEIYTOUTNUQZEM-UHFFFAOYSA-N -1 3 311.298 -2.473 20 0 DAADHM COCC(=O)N[C@H]1COC2(CN(C(=O)c3cnc[n-]c3=O)C2)C1 ZINC001068657151 678834211 /nfs/dbraw/zinc/83/42/11/678834211.db2.gz ZIQXSOQSZHCBMH-SECBINFHSA-N -1 3 322.321 -1.072 20 0 DAADHM O=C(N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)c1cnc[n-]c1=O ZINC001069954759 678847929 /nfs/dbraw/zinc/84/79/29/678847929.db2.gz VTXYIDRRHDXPQL-MNOVXSKESA-N -1 3 319.325 -1.579 20 0 DAADHM NC(=O)C(=O)NC1(CNC(=O)c2cnc[n-]c2=O)CCOCC1 ZINC001070228623 678861277 /nfs/dbraw/zinc/86/12/77/678861277.db2.gz HQDCYQAZGUORGQ-UHFFFAOYSA-N -1 3 323.309 -1.937 20 0 DAADHM O=C(c1cnc[n-]c1=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001070972704 678879388 /nfs/dbraw/zinc/87/93/88/678879388.db2.gz HIIMHTYZGFFYAH-UHFFFAOYSA-N -1 3 323.353 -1.561 20 0 DAADHM CC(=O)NCC(=O)N1C[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](C)C1 ZINC001071509953 678890491 /nfs/dbraw/zinc/89/04/91/678890491.db2.gz JJFNKJYJURIYGD-KWQFWETISA-N -1 3 321.337 -1.105 20 0 DAADHM Cc1[nH]nc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)c1[O-] ZINC001200261552 782192906 /nfs/dbraw/zinc/19/29/06/782192906.db2.gz XOWUXYISEZODID-VIFPVBQESA-N -1 3 311.342 -1.270 20 0 DAADHM C[C@H](NC(N)=O)C(=O)N1CCC(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001200263034 782195245 /nfs/dbraw/zinc/19/52/45/782195245.db2.gz QETORZFXJSHULD-ZETCQYMHSA-N -1 3 311.346 -1.352 20 0 DAADHM CCNC(=O)CC(=O)NC/C=C\CNCc1nc(=O)n(C)[n-]1 ZINC001273965603 782238392 /nfs/dbraw/zinc/23/83/92/782238392.db2.gz IIPGMUVVZWJQIS-PLNGDYQASA-N -1 3 310.358 -1.603 20 0 DAADHM Cn1[n-]c(CNCC=CCNC(=O)c2cn[nH]c(=O)c2)nc1=O ZINC001274111812 782265683 /nfs/dbraw/zinc/26/56/83/782265683.db2.gz CVLLUJSRRBJRGY-NSCUHMNNSA-N -1 3 319.325 -1.320 20 0 DAADHM Cn1cncc1C(=O)NC/C=C/CNCc1nc(=O)n(C)[n-]1 ZINC001274172914 782267085 /nfs/dbraw/zinc/26/70/85/782267085.db2.gz CDKNSMFQPRZUIH-ONEGZZNKSA-N -1 3 305.342 -1.082 20 0 DAADHM Cn1[n-]c(CNC/C=C/CNC(=O)[C@]2(C)CCNC2=O)nc1=O ZINC001274359532 782275778 /nfs/dbraw/zinc/27/57/78/782275778.db2.gz DUTBLRFCXKWLNH-XGACYXMMSA-N -1 3 322.369 -1.603 20 0 DAADHM Cn1[n-]c(CNC/C=C/CNC(=O)[C@@]2(C)CCNC2=O)nc1=O ZINC001274359530 782274683 /nfs/dbraw/zinc/27/46/83/782274683.db2.gz DUTBLRFCXKWLNH-RDFMZFSFSA-N -1 3 322.369 -1.603 20 0 DAADHM CCn1cc(C(=O)NC/C=C/CNCc2nc(=O)n(C)[n-]2)nn1 ZINC001274471895 782279382 /nfs/dbraw/zinc/27/93/82/782279382.db2.gz JIJNXFJWZGALES-SNAWJCMRSA-N -1 3 320.357 -1.204 20 0 DAADHM C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2 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