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CC(C)C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000424480517 265265016 /nfs/dbraw/zinc/26/50/16/265265016.db2.gz DAHXHTSWNWBGQF-NXEZZACHSA-N -1 0 329.353 -1.438 20 0 EAADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000424480520 265379304 /nfs/dbraw/zinc/37/93/04/265379304.db2.gz DAHXHTSWNWBGQF-UWVGGRQHSA-N -1 0 329.353 -1.438 20 0 EAADRM CC(C)C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C(=O)[O-] ZINC000424480522 265236340 /nfs/dbraw/zinc/23/63/40/265236340.db2.gz DAHXHTSWNWBGQF-VHSXEESVSA-N -1 0 329.353 -1.438 20 0 EAADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC000424480523 265097972 /nfs/dbraw/zinc/09/79/72/265097972.db2.gz DAHXHTSWNWBGQF-ZJUUUORDSA-N -1 0 329.353 -1.438 20 0 EAADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424480616 414866424 /nfs/dbraw/zinc/86/64/24/414866424.db2.gz GLWSPKDFVLORCT-AEJSXWLSSA-N -1 0 332.378 -1.143 20 0 EAADRM CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 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348.377 -1.668 20 0 EAADRM C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424484853 414869923 /nfs/dbraw/zinc/86/99/23/414869923.db2.gz AYCQWYGTYXDJBT-UTLUCORTSA-N -1 0 348.377 -1.668 20 0 EAADRM CC(C)(CCNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000424485007 415187984 /nfs/dbraw/zinc/18/79/84/415187984.db2.gz WJOLPNUETYLZFJ-SECBINFHSA-N -1 0 326.353 -1.161 20 0 EAADRM CC(C)(CCNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000424485008 264586104 /nfs/dbraw/zinc/58/61/04/264586104.db2.gz WJOLPNUETYLZFJ-VIFPVBQESA-N -1 0 326.353 -1.161 20 0 EAADRM CC1=CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424485052 414869262 /nfs/dbraw/zinc/86/92/62/414869262.db2.gz BLEZCNULYMABKH-JTQLQIEISA-N -1 0 330.362 -1.125 20 0 EAADRM CC1=CCCN(C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)C1 ZINC000424485054 414869230 /nfs/dbraw/zinc/86/92/30/414869230.db2.gz BLEZCNULYMABKH-SNVBAGLBSA-N -1 0 330.362 -1.125 20 0 EAADRM CSCCN(C)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 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CC1(C)CN(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])CCO1 ZINC000547607535 375027387 /nfs/dbraw/zinc/02/73/87/375027387.db2.gz ZGOIZCSHEILEFV-GSDQLPOLSA-N -1 0 340.423 -1.141 20 0 EAADRM CC1(C)CN(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])CCO1 ZINC000547607536 375027278 /nfs/dbraw/zinc/02/72/78/375027278.db2.gz ZGOIZCSHEILEFV-GWNMQOMSSA-N -1 0 340.423 -1.141 20 0 EAADRM CC1(C)CN(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])CCO1 ZINC000547607537 375027293 /nfs/dbraw/zinc/02/72/93/375027293.db2.gz ZGOIZCSHEILEFV-LXGOIASLSA-N -1 0 340.423 -1.141 20 0 EAADRM CC1(C)CN(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])CCO1 ZINC000547607538 375027450 /nfs/dbraw/zinc/02/74/50/375027450.db2.gz ZGOIZCSHEILEFV-YBYGRFCBSA-N -1 0 340.423 -1.141 20 0 EAADRM COC(=O)c1cc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c[nH]1 ZINC000547611687 375027178 /nfs/dbraw/zinc/02/71/78/375027178.db2.gz BRSRWWIGCIJHBM-UHFFFAOYSA-N -1 0 343.321 -1.044 20 0 EAADRM C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547612388 375027323 /nfs/dbraw/zinc/02/73/23/375027323.db2.gz QLTRXPYWQUEBSU-SECBINFHSA-N -1 0 343.427 -1.349 20 0 EAADRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547612389 375027393 /nfs/dbraw/zinc/02/73/93/375027393.db2.gz QLTRXPYWQUEBSU-VIFPVBQESA-N -1 0 343.427 -1.349 20 0 EAADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1 ZINC000547615982 375026999 /nfs/dbraw/zinc/02/69/99/375026999.db2.gz QZSMPIQICWYKLZ-UHFFFAOYSA-N -1 0 338.363 -1.287 20 0 EAADRM CCC[C@@H](O)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547616355 375027207 /nfs/dbraw/zinc/02/72/07/375027207.db2.gz VOEIUPKNRUYNER-BDAKNGLRSA-N -1 0 331.412 -1.045 20 0 EAADRM CCC[C@H](O)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547616356 375027161 /nfs/dbraw/zinc/02/71/61/375027161.db2.gz VOEIUPKNRUYNER-DTWKUNHWSA-N -1 0 331.412 -1.045 20 0 EAADRM CCC[C@H](O)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547616357 375027240 /nfs/dbraw/zinc/02/72/40/375027240.db2.gz VOEIUPKNRUYNER-IUCAKERBSA-N -1 0 331.412 -1.045 20 0 EAADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC000547616358 375027287 /nfs/dbraw/zinc/02/72/87/375027287.db2.gz VOEIUPKNRUYNER-RKDXNWHRSA-N -1 0 331.412 -1.045 20 0 EAADRM CCC(=O)C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000547616743 375027255 /nfs/dbraw/zinc/02/72/55/375027255.db2.gz CBUDZOQCWNZYBT-MRVPVSSYSA-N -1 0 347.349 -1.815 20 0 EAADRM CCC(=O)C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000547616744 375027539 /nfs/dbraw/zinc/02/75/39/375027539.db2.gz CBUDZOQCWNZYBT-QMMMGPOBSA-N -1 0 347.349 -1.815 20 0 EAADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cn1 ZINC000547700693 375026991 /nfs/dbraw/zinc/02/69/91/375026991.db2.gz FRJBXLFYHQUNDR-GFCCVEGCSA-N -1 0 349.365 -1.192 20 0 EAADRM COC(=O)Cn1cc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cn1 ZINC000547700700 375026935 /nfs/dbraw/zinc/02/69/35/375026935.db2.gz FRJBXLFYHQUNDR-LBPRGKRZSA-N -1 0 349.365 -1.192 20 0 EAADRM COC(=O)c1nscc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000547869154 375028260 /nfs/dbraw/zinc/02/82/60/375028260.db2.gz RYBPZLMJGGMAIC-UHFFFAOYSA-N -1 0 337.335 -1.591 20 0 EAADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000547870006 375029109 /nfs/dbraw/zinc/02/91/09/375029109.db2.gz ZAHTVNOXVONEHF-UHFFFAOYSA-N -1 0 344.271 -1.076 20 0 EAADRM C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547870806 375028819 /nfs/dbraw/zinc/02/88/19/375028819.db2.gz LOOXUDYLEVSAEA-MRVPVSSYSA-N -1 0 329.400 -1.881 20 0 EAADRM C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547870808 374815208 /nfs/dbraw/zinc/81/52/08/374815208.db2.gz LOOXUDYLEVSAEA-QMMMGPOBSA-N -1 0 329.400 -1.881 20 0 EAADRM COC(=O)c1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cn1C ZINC000547872309 375029099 /nfs/dbraw/zinc/02/90/99/375029099.db2.gz BSJWGQMZKUPIME-SSDOTTSWSA-N -1 0 333.322 -1.581 20 0 EAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](CO)C(=O)[O-])CC1 ZINC000547878097 375028474 /nfs/dbraw/zinc/02/84/74/375028474.db2.gz ZFYDJLJMGBJVQA-ZETCQYMHSA-N -1 0 331.372 -3.157 20 0 EAADRM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000547880009 375029197 /nfs/dbraw/zinc/02/91/97/375029197.db2.gz PBZWDEGKVHZHJO-DJLDLDEBSA-N -1 0 336.366 -1.034 20 0 EAADRM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000547880010 375029308 /nfs/dbraw/zinc/02/93/08/375029308.db2.gz PBZWDEGKVHZHJO-HLTSFMKQSA-N -1 0 336.366 -1.034 20 0 EAADRM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000547880011 375028983 /nfs/dbraw/zinc/02/89/83/375028983.db2.gz PBZWDEGKVHZHJO-IWSPIJDZSA-N -1 0 336.366 -1.034 20 0 EAADRM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000547880012 375028659 /nfs/dbraw/zinc/02/86/59/375028659.db2.gz PBZWDEGKVHZHJO-YIZRAAEISA-N -1 0 336.366 -1.034 20 0 EAADRM CC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000547881605 375029079 /nfs/dbraw/zinc/02/90/79/375029079.db2.gz JKSHKIZDLQMXSV-QMMMGPOBSA-N -1 0 329.400 -1.739 20 0 EAADRM COCCOCCS(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000547900222 375028685 /nfs/dbraw/zinc/02/86/85/375028685.db2.gz PTUXZELVMZLRPI-JTQLQIEISA-N -1 0 338.382 -1.498 20 0 EAADRM COCCOCCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000547900223 375028448 /nfs/dbraw/zinc/02/84/48/375028448.db2.gz PTUXZELVMZLRPI-SNVBAGLBSA-N -1 0 338.382 -1.498 20 0 EAADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000547903075 375029264 /nfs/dbraw/zinc/02/92/64/375029264.db2.gz QKXGRGRRNWKRRQ-UHFFFAOYSA-N -1 0 349.365 -1.804 20 0 EAADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000547903639 375028545 /nfs/dbraw/zinc/02/85/45/375028545.db2.gz DZLQTMYHCSUZFE-APPZFPTMSA-N -1 0 349.365 -2.024 20 0 EAADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000547903640 375029241 /nfs/dbraw/zinc/02/92/41/375029241.db2.gz DZLQTMYHCSUZFE-CBAPKCEASA-N -1 0 349.365 -2.024 20 0 EAADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000547903641 375029333 /nfs/dbraw/zinc/02/93/33/375029333.db2.gz DZLQTMYHCSUZFE-IONNQARKSA-N -1 0 349.365 -2.024 20 0 EAADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000547903642 375028428 /nfs/dbraw/zinc/02/84/28/375028428.db2.gz DZLQTMYHCSUZFE-VXNVDRBHSA-N -1 0 349.365 -2.024 20 0 EAADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000547904793 375028725 /nfs/dbraw/zinc/02/87/25/375028725.db2.gz QIEAIYYMMOIPCN-MRVPVSSYSA-N -1 0 349.365 -2.070 20 0 EAADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000547904796 375028412 /nfs/dbraw/zinc/02/84/12/375028412.db2.gz QIEAIYYMMOIPCN-QMMMGPOBSA-N -1 0 349.365 -2.070 20 0 EAADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)CCCS(C)(=O)=O ZINC000547905009 375028807 /nfs/dbraw/zinc/02/88/07/375028807.db2.gz WIWBTKBHSGLGHH-SECBINFHSA-N -1 0 331.412 -1.092 20 0 EAADRM C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)CCCS(C)(=O)=O ZINC000547905010 375028231 /nfs/dbraw/zinc/02/82/31/375028231.db2.gz WIWBTKBHSGLGHH-VIFPVBQESA-N -1 0 331.412 -1.092 20 0 EAADRM NS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000547905181 375029291 /nfs/dbraw/zinc/02/92/91/375029291.db2.gz FDRYSANCPVJWBM-UHFFFAOYSA-N -1 0 338.363 -1.598 20 0 EAADRM COC(=O)Cn1cc(S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-])cn1 ZINC000547905531 375029139 /nfs/dbraw/zinc/02/91/39/375029139.db2.gz AULCEHFJZSTVSH-SECBINFHSA-N -1 0 349.365 -1.098 20 0 EAADRM COC(=O)Cn1cc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cn1 ZINC000547905534 375029252 /nfs/dbraw/zinc/02/92/52/375029252.db2.gz AULCEHFJZSTVSH-VIFPVBQESA-N -1 0 349.365 -1.098 20 0 EAADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547905951 375029176 /nfs/dbraw/zinc/02/91/76/375029176.db2.gz HJADJLKHXGVBFW-SECBINFHSA-N -1 0 343.427 -1.397 20 0 EAADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547905956 375028734 /nfs/dbraw/zinc/02/87/34/375028734.db2.gz HJADJLKHXGVBFW-VIFPVBQESA-N -1 0 343.427 -1.397 20 0 EAADRM CCC(=O)C[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547906470 375029056 /nfs/dbraw/zinc/02/90/56/375029056.db2.gz SCEJYAVMSLWGMK-SECBINFHSA-N -1 0 344.411 -1.333 20 0 EAADRM CCC(=O)C[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547906471 375029153 /nfs/dbraw/zinc/02/91/53/375029153.db2.gz SCEJYAVMSLWGMK-VIFPVBQESA-N -1 0 344.411 -1.333 20 0 EAADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000547907385 375028493 /nfs/dbraw/zinc/02/84/93/375028493.db2.gz NAYNKORFKOBLAM-GXSJLCMTSA-N -1 0 349.365 -1.051 20 0 EAADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000547907386 375029202 /nfs/dbraw/zinc/02/92/02/375029202.db2.gz NAYNKORFKOBLAM-KOLCDFICSA-N -1 0 349.365 -1.051 20 0 EAADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000547907387 375029225 /nfs/dbraw/zinc/02/92/25/375029225.db2.gz NAYNKORFKOBLAM-MWLCHTKSSA-N -1 0 349.365 -1.051 20 0 EAADRM CCC[C@H](O)[C@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)C(=O)[O-] ZINC000547907388 375028805 /nfs/dbraw/zinc/02/88/05/375028805.db2.gz NAYNKORFKOBLAM-ONGXEEELSA-N -1 0 349.365 -1.051 20 0 EAADRM CCS(=O)(=O)NCCS(=O)(=O)N(CCOC)CCC(=O)[O-] ZINC000547910280 375029320 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CCC[C@@H](O)[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547938078 375028780 /nfs/dbraw/zinc/02/87/80/375028780.db2.gz TZTSQIUYONJWGM-BDAKNGLRSA-N -1 0 346.427 -1.541 20 0 EAADRM CCC[C@H](O)[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547938079 375028762 /nfs/dbraw/zinc/02/87/62/375028762.db2.gz TZTSQIUYONJWGM-DTWKUNHWSA-N -1 0 346.427 -1.541 20 0 EAADRM CCC[C@H](O)[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547938080 375028406 /nfs/dbraw/zinc/02/84/06/375028406.db2.gz TZTSQIUYONJWGM-IUCAKERBSA-N -1 0 346.427 -1.541 20 0 EAADRM CCC[C@@H](O)[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000547938081 375028389 /nfs/dbraw/zinc/02/83/89/375028389.db2.gz TZTSQIUYONJWGM-RKDXNWHRSA-N -1 0 346.427 -1.541 20 0 EAADRM COC(=O)CCN(C)S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-] ZINC000548028154 375031313 /nfs/dbraw/zinc/03/13/13/375031313.db2.gz OWEDXQIOOQOARE-LLVKDONJSA-N -1 0 326.371 -1.211 20 0 EAADRM COC(=O)CCN(C)S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-] ZINC000548028155 375031299 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EAADRM C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)[O-] ZINC000655889124 415290472 /nfs/dbraw/zinc/29/04/72/415290472.db2.gz RPPCMSQNKGTNKK-VIFPVBQESA-N -1 0 326.353 -1.161 20 0 EAADRM CCN(CCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC000655980077 415292370 /nfs/dbraw/zinc/29/23/70/415292370.db2.gz CZUUTJIJYQXFPR-SECBINFHSA-N -1 0 337.398 -1.389 20 0 EAADRM CCN(CCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-])S(C)(=O)=O ZINC000655980083 415294289 /nfs/dbraw/zinc/29/42/89/415294289.db2.gz CZUUTJIJYQXFPR-VIFPVBQESA-N -1 0 337.398 -1.389 20 0 EAADRM C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000655980985 415293933 /nfs/dbraw/zinc/29/39/33/415293933.db2.gz IUYBWFKFDYWNFF-MRVPVSSYSA-N -1 0 337.398 -1.343 20 0 EAADRM C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC000655980986 415291946 /nfs/dbraw/zinc/29/19/46/415291946.db2.gz IUYBWFKFDYWNFF-QMMMGPOBSA-N -1 0 337.398 -1.343 20 0 EAADRM CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655981454 415293390 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EAADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655983613 415293058 /nfs/dbraw/zinc/29/30/58/415293058.db2.gz MEFMJYJUVJRUQJ-IUCAKERBSA-N -1 0 335.382 -1.637 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655983614 415293212 /nfs/dbraw/zinc/29/32/12/415293212.db2.gz MEFMJYJUVJRUQJ-RKDXNWHRSA-N -1 0 335.382 -1.637 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655985847 415292823 /nfs/dbraw/zinc/29/28/23/415292823.db2.gz CYUHCPXNRLHCQU-SECBINFHSA-N -1 0 342.352 -1.483 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655985848 415291985 /nfs/dbraw/zinc/29/19/85/415291985.db2.gz CYUHCPXNRLHCQU-VIFPVBQESA-N -1 0 342.352 -1.483 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000655987065 415293168 /nfs/dbraw/zinc/29/31/68/415293168.db2.gz KQPFLDGPGHKKHX-JTQLQIEISA-N -1 0 329.353 -1.566 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CCOCC1)C(=O)[O-] ZINC000655987066 415294409 /nfs/dbraw/zinc/29/44/09/415294409.db2.gz KQPFLDGPGHKKHX-SNVBAGLBSA-N -1 0 329.353 -1.566 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655987443 415293718 /nfs/dbraw/zinc/29/37/18/415293718.db2.gz LTQMRTMVVVOLAJ-PSASIEDQSA-N -1 0 337.336 -1.522 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655987444 415293611 /nfs/dbraw/zinc/29/36/11/415293611.db2.gz LTQMRTMVVVOLAJ-SCZZXKLOSA-N -1 0 337.336 -1.522 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655987445 415293272 /nfs/dbraw/zinc/29/32/72/415293272.db2.gz LTQMRTMVVVOLAJ-WCBMZHEXSA-N -1 0 337.336 -1.522 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-] ZINC000655987446 415293382 /nfs/dbraw/zinc/29/33/82/415293382.db2.gz LTQMRTMVVVOLAJ-WPRPVWTQSA-N -1 0 337.336 -1.522 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655987507 415293650 /nfs/dbraw/zinc/29/36/50/415293650.db2.gz LPZFRRDIBZWAIP-MRVPVSSYSA-N -1 0 328.325 -1.873 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NCCN1C(=O)CNC1=O)C(=O)[O-] ZINC000655987508 415292965 /nfs/dbraw/zinc/29/29/65/415292965.db2.gz LPZFRRDIBZWAIP-QMMMGPOBSA-N -1 0 328.325 -1.873 20 0 EAADRM C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000655988904 415294358 /nfs/dbraw/zinc/29/43/58/415294358.db2.gz WFBSCDKBAPQDER-SECBINFHSA-N -1 0 349.409 -1.341 20 0 EAADRM C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C(=O)[O-] ZINC000655988905 415292323 /nfs/dbraw/zinc/29/23/23/415292323.db2.gz WFBSCDKBAPQDER-VIFPVBQESA-N -1 0 349.409 -1.341 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000655989545 415293511 /nfs/dbraw/zinc/29/35/11/415293511.db2.gz ZUZQIPPMVBBZQT-SECBINFHSA-N -1 0 327.337 -1.275 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)C(=O)[O-] ZINC000655989546 415292202 /nfs/dbraw/zinc/29/22/02/415292202.db2.gz ZUZQIPPMVBBZQT-VIFPVBQESA-N -1 0 327.337 -1.275 20 0 EAADRM CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655989866 415292340 /nfs/dbraw/zinc/29/23/40/415292340.db2.gz COAUZWFCFILCQW-NXEZZACHSA-N -1 0 329.353 -1.423 20 0 EAADRM CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655989867 415291838 /nfs/dbraw/zinc/29/18/38/415291838.db2.gz COAUZWFCFILCQW-UWVGGRQHSA-N -1 0 329.353 -1.423 20 0 EAADRM CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655989868 415292509 /nfs/dbraw/zinc/29/25/09/415292509.db2.gz COAUZWFCFILCQW-VHSXEESVSA-N -1 0 329.353 -1.423 20 0 EAADRM CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C(=O)N1CCOCC1 ZINC000655989869 415292334 /nfs/dbraw/zinc/29/23/34/415292334.db2.gz COAUZWFCFILCQW-ZJUUUORDSA-N -1 0 329.353 -1.423 20 0 EAADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655991119 415294399 /nfs/dbraw/zinc/29/43/99/415294399.db2.gz RZFWVGCFKBLNBO-GARJFASQSA-N -1 0 332.353 -1.240 20 0 EAADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655991120 415292675 /nfs/dbraw/zinc/29/26/75/415292675.db2.gz RZFWVGCFKBLNBO-GMTAPVOTSA-N -1 0 332.353 -1.240 20 0 EAADRM COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655991121 415292311 /nfs/dbraw/zinc/29/23/11/415292311.db2.gz RZFWVGCFKBLNBO-HBNTYKKESA-N -1 0 332.353 -1.240 20 0 EAADRM COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655991122 415293569 /nfs/dbraw/zinc/29/35/69/415293569.db2.gz RZFWVGCFKBLNBO-OUAUKWLOSA-N -1 0 332.353 -1.240 20 0 EAADRM C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655992893 415293147 /nfs/dbraw/zinc/29/31/47/415293147.db2.gz AKEJXZQBQBKVCM-DTWKUNHWSA-N -1 0 335.382 -1.637 20 0 EAADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000655992894 415292066 /nfs/dbraw/zinc/29/20/66/415292066.db2.gz AKEJXZQBQBKVCM-RKDXNWHRSA-N -1 0 335.382 -1.637 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000655992919 415292260 /nfs/dbraw/zinc/29/22/60/415292260.db2.gz BDKQBGSIVXWDMC-SECBINFHSA-N -1 0 339.352 -1.271 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C(=O)[O-] ZINC000655992920 415293202 /nfs/dbraw/zinc/29/32/02/415293202.db2.gz BDKQBGSIVXWDMC-VIFPVBQESA-N -1 0 339.352 -1.271 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000655994468 415293706 /nfs/dbraw/zinc/29/37/06/415293706.db2.gz RYLGKJSWLOSPDD-GUBZILKMSA-N -1 0 329.353 -1.392 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000655994469 415292992 /nfs/dbraw/zinc/29/29/92/415292992.db2.gz RYLGKJSWLOSPDD-KXUCPTDWSA-N -1 0 329.353 -1.392 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C(=O)[O-] ZINC000655994470 415294043 /nfs/dbraw/zinc/29/40/43/415294043.db2.gz RYLGKJSWLOSPDD-LPEHRKFASA-N -1 0 329.353 -1.392 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC000655994471 415293884 /nfs/dbraw/zinc/29/38/84/415293884.db2.gz RYLGKJSWLOSPDD-UTLUCORTSA-N -1 0 329.353 -1.392 20 0 EAADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655994650 415291970 /nfs/dbraw/zinc/29/19/70/415291970.db2.gz UTAKUHGCHZUTDQ-BBBLOLIVSA-N -1 0 329.353 -1.425 20 0 EAADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655994651 415294249 /nfs/dbraw/zinc/29/42/49/415294249.db2.gz UTAKUHGCHZUTDQ-KXUCPTDWSA-N -1 0 329.353 -1.425 20 0 EAADRM C[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655994652 415291765 /nfs/dbraw/zinc/29/17/65/415291765.db2.gz UTAKUHGCHZUTDQ-OPRDCNLKSA-N -1 0 329.353 -1.425 20 0 EAADRM C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)[O-] ZINC000655994653 415294269 /nfs/dbraw/zinc/29/42/69/415294269.db2.gz UTAKUHGCHZUTDQ-UTLUCORTSA-N -1 0 329.353 -1.425 20 0 EAADRM CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655996392 415293032 /nfs/dbraw/zinc/29/30/32/415293032.db2.gz RYOBOIQBAZFDLA-MRVPVSSYSA-N -1 0 338.386 -2.228 20 0 EAADRM CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655996393 415293662 /nfs/dbraw/zinc/29/36/62/415293662.db2.gz RYOBOIQBAZFDLA-QMMMGPOBSA-N -1 0 338.386 -2.228 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655996813 415293004 /nfs/dbraw/zinc/29/30/04/415293004.db2.gz XRMUTAHLGXYZME-BBBLOLIVSA-N -1 0 349.409 -1.343 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655996814 415292583 /nfs/dbraw/zinc/29/25/83/415292583.db2.gz XRMUTAHLGXYZME-KXUCPTDWSA-N -1 0 349.409 -1.343 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655996815 415294101 /nfs/dbraw/zinc/29/41/01/415294101.db2.gz XRMUTAHLGXYZME-OPRDCNLKSA-N -1 0 349.409 -1.343 20 0 EAADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)C(=O)[O-] ZINC000655996816 415294218 /nfs/dbraw/zinc/29/42/18/415294218.db2.gz XRMUTAHLGXYZME-UTLUCORTSA-N -1 0 349.409 -1.343 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655997769 415292236 /nfs/dbraw/zinc/29/22/36/415292236.db2.gz KPYBTUPBWZXYFK-NXEZZACHSA-N -1 0 349.409 -1.391 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655997770 415293821 /nfs/dbraw/zinc/29/38/21/415293821.db2.gz KPYBTUPBWZXYFK-UWVGGRQHSA-N -1 0 349.409 -1.391 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655997771 415292865 /nfs/dbraw/zinc/29/28/65/415292865.db2.gz KPYBTUPBWZXYFK-VHSXEESVSA-N -1 0 349.409 -1.391 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000655997772 415294207 /nfs/dbraw/zinc/29/42/07/415294207.db2.gz KPYBTUPBWZXYFK-ZJUUUORDSA-N -1 0 349.409 -1.391 20 0 EAADRM COCCN1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1=O ZINC000655999152 415292527 /nfs/dbraw/zinc/29/25/27/415292527.db2.gz AANGAOLSJHHDAJ-JTQLQIEISA-N -1 0 329.353 -1.469 20 0 EAADRM COCCN1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1=O ZINC000655999153 415294370 /nfs/dbraw/zinc/29/43/70/415294370.db2.gz AANGAOLSJHHDAJ-SNVBAGLBSA-N -1 0 329.353 -1.469 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000655999239 415293602 /nfs/dbraw/zinc/29/36/02/415293602.db2.gz CUFXFKKRYIKQRN-GHMZBOCLSA-N -1 0 341.364 -1.327 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000655999240 415293107 /nfs/dbraw/zinc/29/31/07/415293107.db2.gz CUFXFKKRYIKQRN-MNOVXSKESA-N -1 0 341.364 -1.327 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000655999241 415293416 /nfs/dbraw/zinc/29/34/16/415293416.db2.gz CUFXFKKRYIKQRN-QWRGUYRKSA-N -1 0 341.364 -1.327 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)[O-] ZINC000655999242 415293898 /nfs/dbraw/zinc/29/38/98/415293898.db2.gz CUFXFKKRYIKQRN-WDEREUQCSA-N -1 0 341.364 -1.327 20 0 EAADRM CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000655999332 415293288 /nfs/dbraw/zinc/29/32/88/415293288.db2.gz JTGLQSDTCYSMIC-MRVPVSSYSA-N -1 0 340.340 -1.644 20 0 EAADRM CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000655999336 415291959 /nfs/dbraw/zinc/29/19/59/415291959.db2.gz JTGLQSDTCYSMIC-QMMMGPOBSA-N -1 0 340.340 -1.644 20 0 EAADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655999515 415293095 /nfs/dbraw/zinc/29/30/95/415293095.db2.gz GNKNXIDBMJUVAN-BDAKNGLRSA-N -1 0 335.382 -1.637 20 0 EAADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655999516 415292836 /nfs/dbraw/zinc/29/28/36/415292836.db2.gz GNKNXIDBMJUVAN-DTWKUNHWSA-N -1 0 335.382 -1.637 20 0 EAADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655999517 415293909 /nfs/dbraw/zinc/29/39/09/415293909.db2.gz GNKNXIDBMJUVAN-IUCAKERBSA-N -1 0 335.382 -1.637 20 0 EAADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655999518 415293015 /nfs/dbraw/zinc/29/30/15/415293015.db2.gz GNKNXIDBMJUVAN-RKDXNWHRSA-N -1 0 335.382 -1.637 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655999664 415293830 /nfs/dbraw/zinc/29/38/30/415293830.db2.gz MGWBZFQPAZATKQ-SECBINFHSA-N -1 0 335.382 -1.683 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000655999665 415293622 /nfs/dbraw/zinc/29/36/22/415293622.db2.gz MGWBZFQPAZATKQ-VIFPVBQESA-N -1 0 335.382 -1.683 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000655999748 415291937 /nfs/dbraw/zinc/29/19/37/415291937.db2.gz JMZPWIYSDXYQOA-SECBINFHSA-N -1 0 337.336 -1.568 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(=O)[O-] ZINC000655999749 415291732 /nfs/dbraw/zinc/29/17/32/415291732.db2.gz JMZPWIYSDXYQOA-VIFPVBQESA-N -1 0 337.336 -1.568 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(=O)[O-] ZINC000656001852 415292980 /nfs/dbraw/zinc/29/29/80/415292980.db2.gz NTMHVLNORQJWDK-BDAKNGLRSA-N -1 0 335.382 -1.684 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(=O)[O-] ZINC000656001853 415293266 /nfs/dbraw/zinc/29/32/66/415293266.db2.gz NTMHVLNORQJWDK-IUCAKERBSA-N -1 0 335.382 -1.684 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656001872 415294070 /nfs/dbraw/zinc/29/40/70/415294070.db2.gz OMNXCVQXIDWQIE-PSASIEDQSA-N -1 0 326.353 -1.114 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656001873 415293435 /nfs/dbraw/zinc/29/34/35/415293435.db2.gz OMNXCVQXIDWQIE-SCZZXKLOSA-N -1 0 326.353 -1.114 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656001874 415292646 /nfs/dbraw/zinc/29/26/46/415292646.db2.gz OMNXCVQXIDWQIE-WCBMZHEXSA-N -1 0 326.353 -1.114 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(=O)[O-] ZINC000656001875 415293554 /nfs/dbraw/zinc/29/35/54/415293554.db2.gz OMNXCVQXIDWQIE-WPRPVWTQSA-N -1 0 326.353 -1.114 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000656003030 415292050 /nfs/dbraw/zinc/29/20/50/415292050.db2.gz BBHHEIMKYYFVCW-SSDOTTSWSA-N -1 0 342.381 -1.394 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(=O)[O-] ZINC000656003031 415292433 /nfs/dbraw/zinc/29/24/33/415292433.db2.gz BBHHEIMKYYFVCW-ZETCQYMHSA-N -1 0 342.381 -1.394 20 0 EAADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656004523 415292304 /nfs/dbraw/zinc/29/23/04/415292304.db2.gz HJGSICNYPJDVQS-BDAKNGLRSA-N -1 0 335.382 -1.637 20 0 EAADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656004525 415292213 /nfs/dbraw/zinc/29/22/13/415292213.db2.gz HJGSICNYPJDVQS-DTWKUNHWSA-N -1 0 335.382 -1.637 20 0 EAADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656004527 415292884 /nfs/dbraw/zinc/29/28/84/415292884.db2.gz HJGSICNYPJDVQS-IUCAKERBSA-N -1 0 335.382 -1.637 20 0 EAADRM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656004529 415292854 /nfs/dbraw/zinc/29/28/54/415292854.db2.gz HJGSICNYPJDVQS-RKDXNWHRSA-N -1 0 335.382 -1.637 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(=O)[O-] ZINC000656007292 415292227 /nfs/dbraw/zinc/29/22/27/415292227.db2.gz BSNFSZIMVRMDBB-DCAQKATOSA-N -1 0 341.364 -1.425 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(=O)[O-] ZINC000656007293 415292520 /nfs/dbraw/zinc/29/25/20/415292520.db2.gz BSNFSZIMVRMDBB-VWYCJHECSA-N -1 0 341.364 -1.425 20 0 EAADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656008400 415292003 /nfs/dbraw/zinc/29/20/03/415292003.db2.gz VQOXMLSFVMCVDL-BDAKNGLRSA-N -1 0 335.382 -1.637 20 0 EAADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656008401 415292763 /nfs/dbraw/zinc/29/27/63/415292763.db2.gz VQOXMLSFVMCVDL-DTWKUNHWSA-N -1 0 335.382 -1.637 20 0 EAADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000656008402 415293449 /nfs/dbraw/zinc/29/34/49/415293449.db2.gz VQOXMLSFVMCVDL-IUCAKERBSA-N -1 0 335.382 -1.637 20 0 EAADRM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000656008403 415293066 /nfs/dbraw/zinc/29/30/66/415293066.db2.gz VQOXMLSFVMCVDL-RKDXNWHRSA-N -1 0 335.382 -1.637 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000656009616 415291798 /nfs/dbraw/zinc/29/17/98/415291798.db2.gz DXMFYFWLROORIO-LLVKDONJSA-N -1 0 343.380 -1.223 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)C(=O)[O-] ZINC000656009617 415291914 /nfs/dbraw/zinc/29/19/14/415291914.db2.gz DXMFYFWLROORIO-NSHDSACASA-N -1 0 343.380 -1.223 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000656010139 415292896 /nfs/dbraw/zinc/29/28/96/415292896.db2.gz JVTGCTFPGKZYLI-BDAKNGLRSA-N -1 0 335.382 -1.651 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000656010140 415293673 /nfs/dbraw/zinc/29/36/73/415293673.db2.gz JVTGCTFPGKZYLI-DTWKUNHWSA-N -1 0 335.382 -1.651 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000656010141 415292496 /nfs/dbraw/zinc/29/24/96/415292496.db2.gz JVTGCTFPGKZYLI-IUCAKERBSA-N -1 0 335.382 -1.651 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)[O-] ZINC000656010142 415293158 /nfs/dbraw/zinc/29/31/58/415293158.db2.gz JVTGCTFPGKZYLI-RKDXNWHRSA-N -1 0 335.382 -1.651 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000656010855 415293696 /nfs/dbraw/zinc/29/36/96/415293696.db2.gz GQFZLJLKPSDWEN-NXEZZACHSA-N -1 0 326.353 -1.305 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000656010856 415291783 /nfs/dbraw/zinc/29/17/83/415291783.db2.gz GQFZLJLKPSDWEN-UWVGGRQHSA-N -1 0 326.353 -1.305 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] ZINC000656010857 415293397 /nfs/dbraw/zinc/29/33/97/415293397.db2.gz GQFZLJLKPSDWEN-VHSXEESVSA-N -1 0 326.353 -1.305 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)C(=O)[O-] ZINC000656010858 415294280 /nfs/dbraw/zinc/29/42/80/415294280.db2.gz GQFZLJLKPSDWEN-ZJUUUORDSA-N -1 0 326.353 -1.305 20 0 EAADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656010965 415293300 /nfs/dbraw/zinc/29/33/00/415293300.db2.gz SKMWRPBMDQSXTD-JTQLQIEISA-N -1 0 349.409 -1.437 20 0 EAADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000656010966 415292463 /nfs/dbraw/zinc/29/24/63/415292463.db2.gz SKMWRPBMDQSXTD-SNVBAGLBSA-N -1 0 349.409 -1.437 20 0 EAADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656010978 415292783 /nfs/dbraw/zinc/29/27/83/415292783.db2.gz SRAQHQJGCDFWAT-NXEZZACHSA-N -1 0 349.409 -1.391 20 0 EAADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656010979 415293470 /nfs/dbraw/zinc/29/34/70/415293470.db2.gz SRAQHQJGCDFWAT-UWVGGRQHSA-N -1 0 349.409 -1.391 20 0 EAADRM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000656010980 415294158 /nfs/dbraw/zinc/29/41/58/415294158.db2.gz SRAQHQJGCDFWAT-VHSXEESVSA-N -1 0 349.409 -1.391 20 0 EAADRM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1 ZINC000656010981 415293024 /nfs/dbraw/zinc/29/30/24/415293024.db2.gz SRAQHQJGCDFWAT-ZJUUUORDSA-N -1 0 349.409 -1.391 20 0 EAADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000656010982 415293373 /nfs/dbraw/zinc/29/33/73/415293373.db2.gz STFGWFMJSYRWQY-NXEZZACHSA-N -1 0 329.353 -1.567 20 0 EAADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000656010983 415294194 /nfs/dbraw/zinc/29/41/94/415294194.db2.gz STFGWFMJSYRWQY-UWVGGRQHSA-N -1 0 329.353 -1.567 20 0 EAADRM CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000656010984 415293778 /nfs/dbraw/zinc/29/37/78/415293778.db2.gz STFGWFMJSYRWQY-VHSXEESVSA-N -1 0 329.353 -1.567 20 0 EAADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000656010985 415292693 /nfs/dbraw/zinc/29/26/93/415292693.db2.gz STFGWFMJSYRWQY-ZJUUUORDSA-N -1 0 329.353 -1.567 20 0 EAADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000656011550 415291750 /nfs/dbraw/zinc/29/17/50/415291750.db2.gz MOEQFUMKUSMESZ-NEPJUHHUSA-N -1 0 343.380 -1.177 20 0 EAADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000656011551 415293235 /nfs/dbraw/zinc/29/32/35/415293235.db2.gz MOEQFUMKUSMESZ-NWDGAFQWSA-N -1 0 343.380 -1.177 20 0 EAADRM CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CCO1 ZINC000656011552 415293562 /nfs/dbraw/zinc/29/35/62/415293562.db2.gz MOEQFUMKUSMESZ-RYUDHWBXSA-N -1 0 343.380 -1.177 20 0 EAADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCO1 ZINC000656011553 415293179 /nfs/dbraw/zinc/29/31/79/415293179.db2.gz MOEQFUMKUSMESZ-VXGBXAGGSA-N -1 0 343.380 -1.177 20 0 EAADRM COCCN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1=O ZINC000656014379 415294124 /nfs/dbraw/zinc/29/41/24/415294124.db2.gz SXXUEPNWMRNCBE-LLVKDONJSA-N -1 0 343.380 -1.223 20 0 EAADRM COCCN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1=O ZINC000656014380 415293752 /nfs/dbraw/zinc/29/37/52/415293752.db2.gz SXXUEPNWMRNCBE-NSHDSACASA-N -1 0 343.380 -1.223 20 0 EAADRM COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000656014544 415293519 /nfs/dbraw/zinc/29/35/19/415293519.db2.gz WPAXHQQNFZKKIS-LLVKDONJSA-N -1 0 343.380 -1.223 20 0 EAADRM COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC000656014545 415291902 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GQHASRLZVUQHNG-LURJTMIESA-N -1 0 333.322 -1.412 20 0 EAADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000817762299 583325076 /nfs/dbraw/zinc/32/50/76/583325076.db2.gz GQHASRLZVUQHNG-ZCFIWIBFSA-N -1 0 333.322 -1.412 20 0 EAADRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000817772328 583325231 /nfs/dbraw/zinc/32/52/31/583325231.db2.gz UKTKGXGHVSTBPC-NEPJUHHUSA-N -1 0 347.437 -1.277 20 0 EAADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000817772329 583325211 /nfs/dbraw/zinc/32/52/11/583325211.db2.gz UKTKGXGHVSTBPC-NWDGAFQWSA-N -1 0 347.437 -1.277 20 0 EAADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000817772330 583325004 /nfs/dbraw/zinc/32/50/04/583325004.db2.gz UKTKGXGHVSTBPC-RYUDHWBXSA-N -1 0 347.437 -1.277 20 0 EAADRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000817772331 583325092 /nfs/dbraw/zinc/32/50/92/583325092.db2.gz UKTKGXGHVSTBPC-VXGBXAGGSA-N -1 0 347.437 -1.277 20 0 EAADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000817890395 583325087 /nfs/dbraw/zinc/32/50/87/583325087.db2.gz STTLKYHHGWLATP-JTQLQIEISA-N -1 0 343.336 -1.401 20 0 EAADRM CCOC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000817890398 583325122 /nfs/dbraw/zinc/32/51/22/583325122.db2.gz STTLKYHHGWLATP-SNVBAGLBSA-N -1 0 343.336 -1.401 20 0 EAADRM CCNS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000817890962 583325174 /nfs/dbraw/zinc/32/51/74/583325174.db2.gz CREPSUOMOFGJRA-NXEZZACHSA-N -1 0 349.409 -1.389 20 0 EAADRM CCNS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000817890963 583325164 /nfs/dbraw/zinc/32/51/64/583325164.db2.gz CREPSUOMOFGJRA-UWVGGRQHSA-N -1 0 349.409 -1.389 20 0 EAADRM CCNS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000817890964 583325143 /nfs/dbraw/zinc/32/51/43/583325143.db2.gz CREPSUOMOFGJRA-VHSXEESVSA-N -1 0 349.409 -1.389 20 0 EAADRM CCNS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000817890965 583325177 /nfs/dbraw/zinc/32/51/77/583325177.db2.gz CREPSUOMOFGJRA-ZJUUUORDSA-N -1 0 349.409 -1.389 20 0 EAADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H]1C ZINC000817905944 583325140 /nfs/dbraw/zinc/32/51/40/583325140.db2.gz QQLJVOKCYPPRSM-AEJSXWLSSA-N -1 0 328.321 -1.292 20 0 EAADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[C@@H]1C ZINC000817905946 583325065 /nfs/dbraw/zinc/32/50/65/583325065.db2.gz QQLJVOKCYPPRSM-BBBLOLIVSA-N -1 0 328.321 -1.292 20 0 EAADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000817905947 583325068 /nfs/dbraw/zinc/32/50/68/583325068.db2.gz QQLJVOKCYPPRSM-IVZWLZJFSA-N -1 0 328.321 -1.292 20 0 EAADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[C@@H]1C ZINC000817905948 583325037 /nfs/dbraw/zinc/32/50/37/583325037.db2.gz QQLJVOKCYPPRSM-OPRDCNLKSA-N -1 0 328.321 -1.292 20 0 EAADRM C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000818018063 583325563 /nfs/dbraw/zinc/32/55/63/583325563.db2.gz LCIUGYZHZNAPBE-MRVPVSSYSA-N -1 0 335.320 -1.454 20 0 EAADRM C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-] ZINC000818018064 583325482 /nfs/dbraw/zinc/32/54/82/583325482.db2.gz LCIUGYZHZNAPBE-QMMMGPOBSA-N -1 0 335.320 -1.454 20 0 EAADRM C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000818021995 583325555 /nfs/dbraw/zinc/32/55/55/583325555.db2.gz BCAABFRGRBAFKO-SSDOTTSWSA-N -1 0 336.304 -1.571 20 0 EAADRM C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)C(=O)[O-] ZINC000818021996 583325696 /nfs/dbraw/zinc/32/56/96/583325696.db2.gz BCAABFRGRBAFKO-ZETCQYMHSA-N -1 0 336.304 -1.571 20 0 EAADRM C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000818023010 583325662 /nfs/dbraw/zinc/32/56/62/583325662.db2.gz QHFZZUPMLVVAAE-LURJTMIESA-N -1 0 349.303 -1.840 20 0 EAADRM C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000818023011 583325506 /nfs/dbraw/zinc/32/55/06/583325506.db2.gz QHFZZUPMLVVAAE-ZCFIWIBFSA-N -1 0 349.303 -1.840 20 0 EAADRM CC[C@@H](NC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1)C(=O)[O-] ZINC000818269632 583326142 /nfs/dbraw/zinc/32/61/42/583326142.db2.gz APEYRZRDRCBJHQ-MRVPVSSYSA-N -1 0 346.365 -1.154 20 0 EAADRM CC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000818269776 583325911 /nfs/dbraw/zinc/32/59/11/583325911.db2.gz ONNSEPCBIWLAIR-MRVPVSSYSA-N -1 0 325.325 -1.111 20 0 EAADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(=O)[O-] ZINC000818269801 583325943 /nfs/dbraw/zinc/32/59/43/583325943.db2.gz QVVUTZJPMLKZSJ-SECBINFHSA-N -1 0 325.325 -1.111 20 0 EAADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C(=O)[O-] ZINC000818282759 583325962 /nfs/dbraw/zinc/32/59/62/583325962.db2.gz SLUQWIJFXUVBRY-SSDOTTSWSA-N -1 0 332.338 -1.629 20 0 EAADRM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-] ZINC000818308167 583326006 /nfs/dbraw/zinc/32/60/06/583326006.db2.gz JQCBCMRNBMEACL-ZCFIWIBFSA-N -1 0 333.322 -1.364 20 0 EAADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000818310961 583325900 /nfs/dbraw/zinc/32/59/00/583325900.db2.gz ZGWRDKJMJPQJFR-CYBMUJFWSA-N -1 0 349.409 -1.006 20 0 EAADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000818310968 583326147 /nfs/dbraw/zinc/32/61/47/583326147.db2.gz ZGWRDKJMJPQJFR-ZDUSSCGKSA-N -1 0 349.409 -1.006 20 0 EAADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000818368857 583326532 /nfs/dbraw/zinc/32/65/32/583326532.db2.gz JXIQUMQBKOSLRU-SECBINFHSA-N -1 0 337.336 -1.157 20 0 EAADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818368858 583326434 /nfs/dbraw/zinc/32/64/34/583326434.db2.gz JXIQUMQBKOSLRU-VIFPVBQESA-N -1 0 337.336 -1.157 20 0 EAADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000818368928 583326378 /nfs/dbraw/zinc/32/63/78/583326378.db2.gz POJUNKKVCKSUJL-MRVPVSSYSA-N -1 0 326.313 -1.316 20 0 EAADRM CN(C)C(=O)Cn1cnc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000818368929 583326504 /nfs/dbraw/zinc/32/65/04/583326504.db2.gz POJUNKKVCKSUJL-QMMMGPOBSA-N -1 0 326.313 -1.316 20 0 EAADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000818368949 583326331 /nfs/dbraw/zinc/32/63/31/583326331.db2.gz RLNYIOVJIGWGAT-SECBINFHSA-N -1 0 337.336 -1.157 20 0 EAADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000818368950 583326536 /nfs/dbraw/zinc/32/65/36/583326536.db2.gz RLNYIOVJIGWGAT-VIFPVBQESA-N -1 0 337.336 -1.157 20 0 EAADRM CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCCC(=O)[O-])n1 ZINC000818369062 583326518 /nfs/dbraw/zinc/32/65/18/583326518.db2.gz SYSRCOBAMCNRCS-UHFFFAOYSA-N -1 0 325.325 -1.109 20 0 EAADRM CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCCC(=O)[O-])cn1 ZINC000818369107 583326460 /nfs/dbraw/zinc/32/64/60/583326460.db2.gz XCZHMNDGNDZNLM-UHFFFAOYSA-N -1 0 325.325 -1.109 20 0 EAADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000818413236 583326371 /nfs/dbraw/zinc/32/63/71/583326371.db2.gz CNEWGYQBEWQWNG-NXEZZACHSA-N -1 0 332.378 -1.045 20 0 EAADRM CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000818413237 583326396 /nfs/dbraw/zinc/32/63/96/583326396.db2.gz CNEWGYQBEWQWNG-UWVGGRQHSA-N -1 0 332.378 -1.045 20 0 EAADRM CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000818413238 583326398 /nfs/dbraw/zinc/32/63/98/583326398.db2.gz CNEWGYQBEWQWNG-VHSXEESVSA-N -1 0 332.378 -1.045 20 0 EAADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000818413239 583326540 /nfs/dbraw/zinc/32/65/40/583326540.db2.gz CNEWGYQBEWQWNG-ZJUUUORDSA-N -1 0 332.378 -1.045 20 0 EAADRM CN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000818423306 583326366 /nfs/dbraw/zinc/32/63/66/583326366.db2.gz CVBHWWYRYRSVBF-UHFFFAOYSA-N -1 0 332.338 -1.675 20 0 EAADRM CN(CCC(=O)[O-])C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000818432152 583326301 /nfs/dbraw/zinc/32/63/01/583326301.db2.gz DDGWZAFWWKPTME-UHFFFAOYSA-N -1 0 336.414 -1.320 20 0 EAADRM CN(CCC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000818447808 583326478 /nfs/dbraw/zinc/32/64/78/583326478.db2.gz PYBFMSKOPXQSEF-UHFFFAOYSA-N -1 0 333.322 -1.410 20 0 EAADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC(=O)[O-])CC2 ZINC000818495243 583326847 /nfs/dbraw/zinc/32/68/47/583326847.db2.gz ULWWKENTDXHXRG-UHFFFAOYSA-N -1 0 341.345 -1.315 20 0 EAADRM COCCN(CC(=O)[O-])C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000818537090 583326703 /nfs/dbraw/zinc/32/67/03/583326703.db2.gz QWKFOHSXYOLBKS-UHFFFAOYSA-N -1 0 337.398 -1.877 20 0 EAADRM COCCn1c(N)c(C(=O)CN(C)[C@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC000818545430 583326707 /nfs/dbraw/zinc/32/67/07/583326707.db2.gz KRTYKSADYWECOW-SSDOTTSWSA-N -1 0 328.325 -1.235 20 0 EAADRM COCCn1c(N)c(C(=O)CN(C)[C@@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC000818545431 583326870 /nfs/dbraw/zinc/32/68/70/583326870.db2.gz KRTYKSADYWECOW-ZETCQYMHSA-N -1 0 328.325 -1.235 20 0 EAADRM COCCc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)n(C)n1 ZINC000818545467 583326882 /nfs/dbraw/zinc/32/68/82/583326882.db2.gz ORHMSQPQMXWNIW-JTQLQIEISA-N -1 0 340.336 -1.141 20 0 EAADRM COCCc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000818545468 583326816 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ZINC000819744391 583328890 /nfs/dbraw/zinc/32/88/90/583328890.db2.gz KPJOUJCJMTWMKP-POYBYMJQSA-N -1 0 330.366 -1.019 20 0 EAADRM CC(=O)NCCN(C(=O)CC1SC(=N)NC1=O)[C@H](C)C(=O)[O-] ZINC000819744392 583328825 /nfs/dbraw/zinc/32/88/25/583328825.db2.gz KPJOUJCJMTWMKP-SVRRBLITSA-N -1 0 330.366 -1.019 20 0 EAADRM CC(=O)NCCN(C(=O)CC1SC(=N)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819744393 583328840 /nfs/dbraw/zinc/32/88/40/583328840.db2.gz KPJOUJCJMTWMKP-XPUUQOCRSA-N -1 0 330.366 -1.019 20 0 EAADRM CC(=O)NCCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@H](C)C(=O)[O-] ZINC000819744514 583328988 /nfs/dbraw/zinc/32/89/88/583328988.db2.gz RDTCIALTLJTXHR-SECBINFHSA-N -1 0 342.352 -1.605 20 0 EAADRM CC(=O)NCCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H](C)C(=O)[O-] ZINC000819744515 583328832 /nfs/dbraw/zinc/32/88/32/583328832.db2.gz RDTCIALTLJTXHR-VIFPVBQESA-N -1 0 342.352 -1.605 20 0 EAADRM CC(=O)NCCN(C(=O)CN1CCC(=O)NC1=O)[C@H](C)C(=O)[O-] ZINC000819745778 583329356 /nfs/dbraw/zinc/32/93/56/583329356.db2.gz IAQFBNKYZSTBRY-MRVPVSSYSA-N -1 0 328.325 -1.634 20 0 EAADRM CC(=O)NCCN(C(=O)CN1CCC(=O)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819745780 583329221 /nfs/dbraw/zinc/32/92/21/583329221.db2.gz IAQFBNKYZSTBRY-QMMMGPOBSA-N -1 0 328.325 -1.634 20 0 EAADRM CC(=O)NCCN(C(=O)Cn1cc([C@H](C)O)nn1)[C@H](C)C(=O)[O-] ZINC000819745992 583329553 /nfs/dbraw/zinc/32/95/53/583329553.db2.gz PQDSXRPCFXBMNV-BDAKNGLRSA-N -1 0 327.341 -1.231 20 0 EAADRM CC(=O)NCCN(C(=O)Cn1cc([C@@H](C)O)nn1)[C@@H](C)C(=O)[O-] ZINC000819745993 583329405 /nfs/dbraw/zinc/32/94/05/583329405.db2.gz PQDSXRPCFXBMNV-DTWKUNHWSA-N -1 0 327.341 -1.231 20 0 EAADRM CC(=O)NCCN(C(=O)Cn1cc([C@H](C)O)nn1)[C@@H](C)C(=O)[O-] ZINC000819745995 583329561 /nfs/dbraw/zinc/32/95/61/583329561.db2.gz PQDSXRPCFXBMNV-IUCAKERBSA-N -1 0 327.341 -1.231 20 0 EAADRM CC(=O)NCCN(C(=O)Cn1cc([C@@H](C)O)nn1)[C@H](C)C(=O)[O-] ZINC000819745997 583329491 /nfs/dbraw/zinc/32/94/91/583329491.db2.gz PQDSXRPCFXBMNV-RKDXNWHRSA-N -1 0 327.341 -1.231 20 0 EAADRM CC(=O)NCCN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](C)C(=O)[O-] ZINC000819746030 583329268 /nfs/dbraw/zinc/32/92/68/583329268.db2.gz RHJRCSJITWUYEX-JTQLQIEISA-N -1 0 349.409 -1.845 20 0 EAADRM CC(=O)NCCN(C(=O)CN1CCS(=O)(=O)CC1)[C@H](C)C(=O)[O-] ZINC000819746031 583329549 /nfs/dbraw/zinc/32/95/49/583329549.db2.gz RHJRCSJITWUYEX-SNVBAGLBSA-N -1 0 349.409 -1.845 20 0 EAADRM CC(=O)NCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)[C@H](C)C(=O)[O-] ZINC000819746106 583329359 /nfs/dbraw/zinc/32/93/59/583329359.db2.gz YGLVRMXPJSHINA-APPZFPTMSA-N -1 0 328.325 -1.588 20 0 EAADRM CC(=O)NCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819746109 583329379 /nfs/dbraw/zinc/32/93/79/583329379.db2.gz YGLVRMXPJSHINA-CBAPKCEASA-N -1 0 328.325 -1.588 20 0 EAADRM CC(=O)NCCN(C(=O)CC[C@H]1NC(=O)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819746110 583329443 /nfs/dbraw/zinc/32/94/43/583329443.db2.gz YGLVRMXPJSHINA-IONNQARKSA-N -1 0 328.325 -1.588 20 0 EAADRM CC(=O)NCCN(C(=O)CC[C@H]1NC(=O)NC1=O)[C@H](C)C(=O)[O-] ZINC000819746111 583329240 /nfs/dbraw/zinc/32/92/40/583329240.db2.gz YGLVRMXPJSHINA-VXNVDRBHSA-N -1 0 328.325 -1.588 20 0 EAADRM CC(=O)NCCN(C(=O)CCS(=O)(=O)N(C)C)[C@H](C)C(=O)[O-] ZINC000819746115 583329589 /nfs/dbraw/zinc/32/95/89/583329589.db2.gz YIXVBAQGJIWLEE-SECBINFHSA-N -1 0 337.398 -1.294 20 0 EAADRM CC(=O)NCCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H](C)C(=O)[O-] ZINC000819746116 583329435 /nfs/dbraw/zinc/32/94/35/583329435.db2.gz YIXVBAQGJIWLEE-VIFPVBQESA-N -1 0 337.398 -1.294 20 0 EAADRM CC(=O)NCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H](C)C(=O)[O-] ZINC000819757925 583329464 /nfs/dbraw/zinc/32/94/64/583329464.db2.gz FWCQGULVWKAXNY-SSDOTTSWSA-N -1 0 326.309 -1.463 20 0 EAADRM CC(=O)NCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H](C)C(=O)[O-] ZINC000819757926 583329419 /nfs/dbraw/zinc/32/94/19/583329419.db2.gz FWCQGULVWKAXNY-ZETCQYMHSA-N -1 0 326.309 -1.463 20 0 EAADRM CC(=O)NCCN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H](C)C(=O)[O-] ZINC000819757941 583329386 /nfs/dbraw/zinc/32/93/86/583329386.db2.gz HKSNDVVZZVKOIM-SSDOTTSWSA-N -1 0 347.349 -1.022 20 0 EAADRM CC(=O)NCCN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H](C)C(=O)[O-] ZINC000819757942 583329557 /nfs/dbraw/zinc/32/95/57/583329557.db2.gz HKSNDVVZZVKOIM-ZETCQYMHSA-N -1 0 347.349 -1.022 20 0 EAADRM CC(=O)NCCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)C(=O)[O-] ZINC000819758231 583329432 /nfs/dbraw/zinc/32/94/32/583329432.db2.gz RVMPIZYAHMGWRO-MRVPVSSYSA-N -1 0 340.336 -1.865 20 0 EAADRM CC(=O)NCCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)C(=O)[O-] ZINC000819758232 583329308 /nfs/dbraw/zinc/32/93/08/583329308.db2.gz RVMPIZYAHMGWRO-QMMMGPOBSA-N -1 0 340.336 -1.865 20 0 EAADRM CC(=O)NCCN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC000819762465 583329265 /nfs/dbraw/zinc/32/92/65/583329265.db2.gz GXRGLXMMBTVXLO-SSDOTTSWSA-N -1 0 347.349 -1.022 20 0 EAADRM CC(=O)NCCN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC000819762466 583329535 /nfs/dbraw/zinc/32/95/35/583329535.db2.gz GXRGLXMMBTVXLO-ZETCQYMHSA-N -1 0 347.349 -1.022 20 0 EAADRM CC(=O)NCCN(CC(=O)N1CCN(C(C)=O)CC1)[C@H](C)C(=O)[O-] ZINC000819770330 583329496 /nfs/dbraw/zinc/32/94/96/583329496.db2.gz OJOPNEOFOHJIMU-LLVKDONJSA-N -1 0 342.396 -1.412 20 0 EAADRM CC(=O)NCCN(CC(=O)N1CCN(C(C)=O)CC1)[C@@H](C)C(=O)[O-] ZINC000819770331 583329331 /nfs/dbraw/zinc/32/93/31/583329331.db2.gz OJOPNEOFOHJIMU-NSHDSACASA-N -1 0 342.396 -1.412 20 0 EAADRM CC(=O)NCCN(Cc1nc(N)nc(N(C)C)n1)[C@H](C)C(=O)[O-] ZINC000819781066 583329413 /nfs/dbraw/zinc/32/94/13/583329413.db2.gz QGMFGKDFOHOHCK-MRVPVSSYSA-N -1 0 325.373 -1.069 20 0 EAADRM CC(=O)NCCN(Cc1nc(N)nc(N(C)C)n1)[C@@H](C)C(=O)[O-] ZINC000819781075 583329427 /nfs/dbraw/zinc/32/94/27/583329427.db2.gz QGMFGKDFOHOHCK-QMMMGPOBSA-N -1 0 325.373 -1.069 20 0 EAADRM CC(=O)N1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000819796777 583329391 /nfs/dbraw/zinc/32/93/91/583329391.db2.gz OXGSFUADXUEUCS-MRVPVSSYSA-N -1 0 348.367 -1.679 20 0 EAADRM CC(=O)N1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000819796778 583329581 /nfs/dbraw/zinc/32/95/81/583329581.db2.gz OXGSFUADXUEUCS-QMMMGPOBSA-N -1 0 348.367 -1.679 20 0 EAADRM C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819883351 583330042 /nfs/dbraw/zinc/33/00/42/583330042.db2.gz SFEHAWKQCZNISP-GFCCVEGCSA-N -1 0 326.397 -1.184 20 0 EAADRM C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819883352 583329925 /nfs/dbraw/zinc/32/99/25/583329925.db2.gz SFEHAWKQCZNISP-LBPRGKRZSA-N -1 0 326.397 -1.184 20 0 EAADRM CC(C)(C)N1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1=O ZINC000819914094 583329706 /nfs/dbraw/zinc/32/97/06/583329706.db2.gz KZJPMPMQGWDCBZ-MRVPVSSYSA-N -1 0 333.356 -1.026 20 0 EAADRM CC(C)(C)N1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1=O ZINC000819914095 583330004 /nfs/dbraw/zinc/33/00/04/583330004.db2.gz KZJPMPMQGWDCBZ-QMMMGPOBSA-N -1 0 333.356 -1.026 20 0 EAADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000819922126 583329889 /nfs/dbraw/zinc/32/98/89/583329889.db2.gz WNLCYXBYTDNCEJ-SECBINFHSA-N -1 0 345.352 -1.061 20 0 EAADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000819922127 583329672 /nfs/dbraw/zinc/32/96/72/583329672.db2.gz WNLCYXBYTDNCEJ-VIFPVBQESA-N -1 0 345.352 -1.061 20 0 EAADRM CC(C)N(CC(=O)[O-])CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000820009475 583330484 /nfs/dbraw/zinc/33/04/84/583330484.db2.gz JYUFABYLBFNAIX-SECBINFHSA-N -1 0 335.382 -1.206 20 0 EAADRM CC(C)N(CC(=O)[O-])CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000820009476 583330359 /nfs/dbraw/zinc/33/03/59/583330359.db2.gz JYUFABYLBFNAIX-VIFPVBQESA-N -1 0 335.382 -1.206 20 0 EAADRM CC(C)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)N1CCOCC1 ZINC000820020270 583330520 /nfs/dbraw/zinc/33/05/20/583330520.db2.gz CUBXZLMUTNEOFX-LLVKDONJSA-N -1 0 349.399 -1.069 20 0 EAADRM CC(C)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)N1CCOCC1 ZINC000820020271 583330447 /nfs/dbraw/zinc/33/04/47/583330447.db2.gz CUBXZLMUTNEOFX-NSHDSACASA-N -1 0 349.399 -1.069 20 0 EAADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000820036672 583330329 /nfs/dbraw/zinc/33/03/29/583330329.db2.gz KIFSVSCZEQQEHY-SECBINFHSA-N -1 0 340.340 -1.470 20 0 EAADRM CC(C)[C@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)C(=O)[O-] ZINC000820049183 583330384 /nfs/dbraw/zinc/33/03/84/583330384.db2.gz KIFSVSCZEQQEHY-VIFPVBQESA-N -1 0 340.340 -1.470 20 0 EAADRM CC(C)CN(CC(N)=O)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000820087432 583330720 /nfs/dbraw/zinc/33/07/20/583330720.db2.gz RQNPKUSBRXZSLW-UHFFFAOYSA-N -1 0 336.356 -1.788 20 0 EAADRM C[C@H](CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)S(N)(=O)=O ZINC000820095689 583330840 /nfs/dbraw/zinc/33/08/40/583330840.db2.gz MPBWLGVDALKRKQ-AFPNSQJFSA-N -1 0 335.382 -1.461 20 0 EAADRM C[C@@H](CNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)S(N)(=O)=O ZINC000820095690 583330800 /nfs/dbraw/zinc/33/08/00/583330800.db2.gz MPBWLGVDALKRKQ-UEJVZZJDSA-N -1 0 335.382 -1.461 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC000820095715 583330816 /nfs/dbraw/zinc/33/08/16/583330816.db2.gz NVEFCVBEUOXLGT-BDAKNGLRSA-N -1 0 335.382 -1.507 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC000820095716 583330808 /nfs/dbraw/zinc/33/08/08/583330808.db2.gz NVEFCVBEUOXLGT-DTWKUNHWSA-N -1 0 335.382 -1.507 20 0 EAADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC000820095717 583330661 /nfs/dbraw/zinc/33/06/61/583330661.db2.gz NVEFCVBEUOXLGT-IUCAKERBSA-N -1 0 335.382 -1.507 20 0 EAADRM C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)S(N)(=O)=O ZINC000820095718 583330691 /nfs/dbraw/zinc/33/06/91/583330691.db2.gz NVEFCVBEUOXLGT-RKDXNWHRSA-N -1 0 335.382 -1.507 20 0 EAADRM C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)S(N)(=O)=O ZINC000820095858 583330686 /nfs/dbraw/zinc/33/06/86/583330686.db2.gz UFOKIQFIZSVIKU-MRVPVSSYSA-N -1 0 343.361 -1.206 20 0 EAADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1)S(N)(=O)=O ZINC000820095859 583330692 /nfs/dbraw/zinc/33/06/92/583330692.db2.gz UFOKIQFIZSVIKU-QMMMGPOBSA-N -1 0 343.361 -1.206 20 0 EAADRM C[C@H](CNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1)S(N)(=O)=O ZINC000820096022 583330706 /nfs/dbraw/zinc/33/07/06/583330706.db2.gz ZQNIQQBXSTZFRS-MRVPVSSYSA-N -1 0 343.361 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CC(=O)NCC(=O)NCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000823575381 583342575 /nfs/dbraw/zinc/34/25/75/583342575.db2.gz QODKJVQVDFFKAH-JTQLQIEISA-N -1 0 329.357 -2.351 20 0 EAADRM CC(=O)NCC(=O)NCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000823575386 583342480 /nfs/dbraw/zinc/34/24/80/583342480.db2.gz QODKJVQVDFFKAH-SNVBAGLBSA-N -1 0 329.357 -2.351 20 0 EAADRM CC(=O)N[C@@H]1CCCN(C(=O)Cn2nnnc2CNC(=O)[O-])C1 ZINC000823575640 583342648 /nfs/dbraw/zinc/34/26/48/583342648.db2.gz VRIXTFHEPRLAMF-SECBINFHSA-N -1 0 325.329 -1.432 20 0 EAADRM CC(=O)N[C@H]1CCCN(C(=O)Cn2nnnc2CNC(=O)[O-])C1 ZINC000823575641 583342597 /nfs/dbraw/zinc/34/25/97/583342597.db2.gz VRIXTFHEPRLAMF-VIFPVBQESA-N -1 0 325.329 -1.432 20 0 EAADRM CC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823575809 583342720 /nfs/dbraw/zinc/34/27/20/583342720.db2.gz YHQNXSROPIEMLG-PSASIEDQSA-N -1 0 330.341 -1.878 20 0 EAADRM CC(=O)NCC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823575811 583342661 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GNNZELYTYJGQDH-MRVPVSSYSA-N -1 0 331.340 -1.039 20 0 EAADRM C[C@@H](Cn1ccnc1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824464442 583343959 /nfs/dbraw/zinc/34/39/59/583343959.db2.gz GNNZELYTYJGQDH-QMMMGPOBSA-N -1 0 331.340 -1.039 20 0 EAADRM CC(C)c1nnnn1CC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000824511094 583343982 /nfs/dbraw/zinc/34/39/82/583343982.db2.gz OAZJDQCNJCGTKF-UHFFFAOYSA-N -1 0 339.356 -1.265 20 0 EAADRM C[C@H](CC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824552326 583344191 /nfs/dbraw/zinc/34/41/91/583344191.db2.gz QHYQPLPSGXZXDQ-BDAKNGLRSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@@H](CC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824552328 583344203 /nfs/dbraw/zinc/34/42/03/583344203.db2.gz QHYQPLPSGXZXDQ-DTWKUNHWSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@@H](CC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824552329 583344176 /nfs/dbraw/zinc/34/41/76/583344176.db2.gz QHYQPLPSGXZXDQ-IUCAKERBSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@H](CC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824552330 583344165 /nfs/dbraw/zinc/34/41/65/583344165.db2.gz QHYQPLPSGXZXDQ-RKDXNWHRSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000824589976 583344159 /nfs/dbraw/zinc/34/41/59/583344159.db2.gz HRHSMCMXVOJXKA-SECBINFHSA-N -1 0 326.353 -1.018 20 0 EAADRM C[C@@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)[O-] ZINC000824589978 583344044 /nfs/dbraw/zinc/34/40/44/583344044.db2.gz HRHSMCMXVOJXKA-VIFPVBQESA-N -1 0 326.353 -1.018 20 0 EAADRM C[C@H](CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)NC(=O)[O-] ZINC000824592113 583344134 /nfs/dbraw/zinc/34/41/34/583344134.db2.gz RQXDOXRBTGBPJJ-SECBINFHSA-N -1 0 325.329 -1.610 20 0 EAADRM C[C@@H](CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)NC(=O)[O-] ZINC000824592115 583344177 /nfs/dbraw/zinc/34/41/77/583344177.db2.gz RQXDOXRBTGBPJJ-VIFPVBQESA-N -1 0 325.329 -1.610 20 0 EAADRM C[C@H](CC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000824604308 583344199 /nfs/dbraw/zinc/34/41/99/583344199.db2.gz CHCNKJZBSWWMJC-BDAKNGLRSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000824604310 583344138 /nfs/dbraw/zinc/34/41/38/583344138.db2.gz CHCNKJZBSWWMJC-DTWKUNHWSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@@H](CC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000824604313 583344184 /nfs/dbraw/zinc/34/41/84/583344184.db2.gz CHCNKJZBSWWMJC-IUCAKERBSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@H](CC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1)NC(=O)[O-] ZINC000824604314 583343988 /nfs/dbraw/zinc/34/39/88/583343988.db2.gz CHCNKJZBSWWMJC-RKDXNWHRSA-N -1 0 335.382 -1.206 20 0 EAADRM C[C@H](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC(=O)[O-] ZINC000824621645 583344174 /nfs/dbraw/zinc/34/41/74/583344174.db2.gz GYUMKESRLQLKSB-GMTAPVOTSA-N -1 0 349.409 -1.353 20 0 EAADRM C[C@H](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC(=O)[O-] ZINC000824621648 583344025 /nfs/dbraw/zinc/34/40/25/583344025.db2.gz GYUMKESRLQLKSB-MXWKQRLJSA-N -1 0 349.409 -1.353 20 0 EAADRM C[C@H](CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC(=O)[O-] ZINC000824621649 583344142 /nfs/dbraw/zinc/34/41/42/583344142.db2.gz GYUMKESRLQLKSB-OUAUKWLOSA-N -1 0 349.409 -1.353 20 0 EAADRM C[C@H](CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC(=O)[O-] ZINC000824621650 583344119 /nfs/dbraw/zinc/34/41/19/583344119.db2.gz GYUMKESRLQLKSB-VWYCJHECSA-N -1 0 349.409 -1.353 20 0 EAADRM C[C@H](CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824637133 583344130 /nfs/dbraw/zinc/34/41/30/583344130.db2.gz RWUJAVRSAZKLGP-BDAKNGLRSA-N -1 0 335.382 -1.158 20 0 EAADRM C[C@@H](CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824637134 583344372 /nfs/dbraw/zinc/34/43/72/583344372.db2.gz RWUJAVRSAZKLGP-DTWKUNHWSA-N -1 0 335.382 -1.158 20 0 EAADRM C[C@@H](CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824637300 583344583 /nfs/dbraw/zinc/34/45/83/583344583.db2.gz RWUJAVRSAZKLGP-IUCAKERBSA-N -1 0 335.382 -1.158 20 0 EAADRM C[C@H](CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(=O)[O-] ZINC000824637301 583344370 /nfs/dbraw/zinc/34/43/70/583344370.db2.gz RWUJAVRSAZKLGP-RKDXNWHRSA-N -1 0 335.382 -1.158 20 0 EAADRM C[C@@H](CC(=O)NCCN1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824647458 583344431 /nfs/dbraw/zinc/34/44/31/583344431.db2.gz WXZBNSQFSCXOCO-JTQLQIEISA-N -1 0 336.414 -1.274 20 0 EAADRM C[C@H](CC(=O)NCCN1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824647459 583344639 /nfs/dbraw/zinc/34/46/39/583344639.db2.gz WXZBNSQFSCXOCO-SNVBAGLBSA-N -1 0 336.414 -1.274 20 0 EAADRM C[C@@H](O)[C@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000824691113 583344341 /nfs/dbraw/zinc/34/43/41/583344341.db2.gz YBNBUUUBTLASKE-BDAKNGLRSA-N -1 0 335.368 -1.139 20 0 EAADRM C[C@H](O)[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000824691114 583344447 /nfs/dbraw/zinc/34/44/47/583344447.db2.gz YBNBUUUBTLASKE-DTWKUNHWSA-N -1 0 335.368 -1.139 20 0 EAADRM C[C@H](O)[C@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000824691226 583344412 /nfs/dbraw/zinc/34/44/12/583344412.db2.gz YBNBUUUBTLASKE-IUCAKERBSA-N -1 0 335.368 -1.139 20 0 EAADRM C[C@@H](O)[C@@H]1CCCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000824691227 583344389 /nfs/dbraw/zinc/34/43/89/583344389.db2.gz YBNBUUUBTLASKE-RKDXNWHRSA-N -1 0 335.368 -1.139 20 0 EAADRM C[C@@H](CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824727466 583344510 /nfs/dbraw/zinc/34/45/10/583344510.db2.gz IAUCJQUUNYIWOE-LURJTMIESA-N -1 0 342.308 -1.562 20 0 EAADRM C[C@H](CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)NC(=O)[O-] ZINC000824727469 583344567 /nfs/dbraw/zinc/34/45/67/583344567.db2.gz IAUCJQUUNYIWOE-ZCFIWIBFSA-N -1 0 342.308 -1.562 20 0 EAADRM C[C@@H](CCNC(=O)CN1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824786070 583344363 /nfs/dbraw/zinc/34/43/63/583344363.db2.gz IVMNAEUIPVMQMG-JTQLQIEISA-N -1 0 336.414 -1.274 20 0 EAADRM C[C@H](CCNC(=O)CN1CCN(S(C)(=O)=O)CC1)NC(=O)[O-] ZINC000824786071 583344529 /nfs/dbraw/zinc/34/45/29/583344529.db2.gz IVMNAEUIPVMQMG-SNVBAGLBSA-N -1 0 336.414 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583344616 /nfs/dbraw/zinc/34/46/16/583344616.db2.gz ZMTBEMDPNCVIOC-UWVGGRQHSA-N -1 0 349.409 -1.006 20 0 EAADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824826341 583344397 /nfs/dbraw/zinc/34/43/97/583344397.db2.gz ZMTBEMDPNCVIOC-VHSXEESVSA-N -1 0 349.409 -1.006 20 0 EAADRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824826342 583344650 /nfs/dbraw/zinc/34/46/50/583344650.db2.gz ZMTBEMDPNCVIOC-ZJUUUORDSA-N -1 0 349.409 -1.006 20 0 EAADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000824839760 583344618 /nfs/dbraw/zinc/34/46/18/583344618.db2.gz GCBDYKNSNUECGR-JTQLQIEISA-N -1 0 336.414 -1.335 20 0 EAADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000824839761 583344549 /nfs/dbraw/zinc/34/45/49/583344549.db2.gz GCBDYKNSNUECGR-SNVBAGLBSA-N -1 0 336.414 -1.335 20 0 EAADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000824842561 583345099 /nfs/dbraw/zinc/34/50/99/583345099.db2.gz ZKOIRBRDNPDJHG-JTQLQIEISA-N -1 0 339.356 -1.410 20 0 EAADRM C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000824842562 583345133 /nfs/dbraw/zinc/34/51/33/583345133.db2.gz ZKOIRBRDNPDJHG-SNVBAGLBSA-N -1 0 339.356 -1.410 20 0 EAADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000824847737 583345018 /nfs/dbraw/zinc/34/50/18/583345018.db2.gz KOHZPPSRNGSYSP-NXEZZACHSA-N -1 0 349.409 -1.006 20 0 EAADRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000824847738 583345140 /nfs/dbraw/zinc/34/51/40/583345140.db2.gz KOHZPPSRNGSYSP-UWVGGRQHSA-N -1 0 349.409 -1.006 20 0 EAADRM C[C@@H](NC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000824847739 583345029 /nfs/dbraw/zinc/34/50/29/583345029.db2.gz KOHZPPSRNGSYSP-VHSXEESVSA-N -1 0 349.409 -1.006 20 0 EAADRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000824847740 583344963 /nfs/dbraw/zinc/34/49/63/583344963.db2.gz KOHZPPSRNGSYSP-ZJUUUORDSA-N -1 0 349.409 -1.006 20 0 EAADRM 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ZINC000825015691 583345507 /nfs/dbraw/zinc/34/55/07/583345507.db2.gz IHCRGKZTLDLSTA-SECBINFHSA-N -1 0 335.382 -1.395 20 0 EAADRM C[C@@H](CS(C)(=O)=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825015693 583345395 /nfs/dbraw/zinc/34/53/95/583345395.db2.gz IHCRGKZTLDLSTA-VIFPVBQESA-N -1 0 335.382 -1.395 20 0 EAADRM C[C@@H](NC(=O)C1(NC(=O)[O-])CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825073884 583345488 /nfs/dbraw/zinc/34/54/88/583345488.db2.gz DLLCHOMOYWJRBB-MRVPVSSYSA-N -1 0 333.366 -1.452 20 0 EAADRM C[C@H](NC(=O)C1(NC(=O)[O-])CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825073888 583345589 /nfs/dbraw/zinc/34/55/89/583345589.db2.gz DLLCHOMOYWJRBB-QMMMGPOBSA-N -1 0 333.366 -1.452 20 0 EAADRM C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825107394 583345368 /nfs/dbraw/zinc/34/53/68/583345368.db2.gz GGWVNXIFYNMPRI-SECBINFHSA-N -1 0 347.393 -1.252 20 0 EAADRM C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000825107395 583345467 /nfs/dbraw/zinc/34/54/67/583345467.db2.gz 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EAADRM C[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)N1CCOCC1 ZINC000827512963 583358423 /nfs/dbraw/zinc/35/84/23/583358423.db2.gz VAFXEDVWNVQPQA-JTQLQIEISA-N -1 0 332.382 -1.033 20 0 EAADRM C[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)N1CCOCC1 ZINC000827512964 583358581 /nfs/dbraw/zinc/35/85/81/583358581.db2.gz VAFXEDVWNVQPQA-SNVBAGLBSA-N -1 0 332.382 -1.033 20 0 EAADRM CC[C@H](NC(=O)[O-])C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000827544212 583358523 /nfs/dbraw/zinc/35/85/23/583358523.db2.gz QYBNHZKLQCCOAU-LURJTMIESA-N -1 0 342.308 -1.562 20 0 EAADRM C[C@H](CS(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1)C(=O)[O-] ZINC000827545891 583358321 /nfs/dbraw/zinc/35/83/21/583358321.db2.gz FGJNPEPTQPPFSB-SECBINFHSA-N -1 0 343.427 -2.057 20 0 EAADRM C[C@@H](CS(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1)C(=O)[O-] ZINC000827545892 583358368 /nfs/dbraw/zinc/35/83/68/583358368.db2.gz FGJNPEPTQPPFSB-VIFPVBQESA-N -1 0 343.427 -2.057 20 0 EAADRM C[C@@H](CS(=O)(=O)N1CCN(c2nccn(C)c2=O)CC1)C(=O)[O-] ZINC000827546557 583358533 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C[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000828430710 583361971 /nfs/dbraw/zinc/36/19/71/583361971.db2.gz DHPVIMZHVNQTSU-BBBLOLIVSA-N -1 0 347.393 -1.348 20 0 EAADRM C[C@@H]1CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000828430766 583361870 /nfs/dbraw/zinc/36/18/70/583361870.db2.gz DHPVIMZHVNQTSU-KXUCPTDWSA-N -1 0 347.393 -1.348 20 0 EAADRM C[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC000828430769 583362068 /nfs/dbraw/zinc/36/20/68/583362068.db2.gz DHPVIMZHVNQTSU-OPRDCNLKSA-N -1 0 347.393 -1.348 20 0 EAADRM C[C@@H]1CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1C(=O)[O-] ZINC000828430771 583361856 /nfs/dbraw/zinc/36/18/56/583361856.db2.gz DHPVIMZHVNQTSU-UTLUCORTSA-N -1 0 347.393 -1.348 20 0 EAADRM CN1C(=O)C(=O)N(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000828439939 583362039 /nfs/dbraw/zinc/36/20/39/583362039.db2.gz BQPAKIFJDADPNN-SSDOTTSWSA-N -1 0 327.249 -1.728 20 0 EAADRM CN1C(=O)C(=O)N(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1=O ZINC000828439941 583362079 /nfs/dbraw/zinc/36/20/79/583362079.db2.gz BQPAKIFJDADPNN-ZETCQYMHSA-N -1 0 327.249 -1.728 20 0 EAADRM CN1C(=O)N[C@@]2(CCN(C(=O)COC3CN(C(=O)[O-])C3)C2)C1=O ZINC000828443797 583362048 /nfs/dbraw/zinc/36/20/48/583362048.db2.gz BAEWOAUYOVWLCF-CYBMUJFWSA-N -1 0 326.309 -1.482 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)COC3CN(C(=O)[O-])C3)C2)C1=O ZINC000828443800 583362009 /nfs/dbraw/zinc/36/20/09/583362009.db2.gz BAEWOAUYOVWLCF-ZDUSSCGKSA-N -1 0 326.309 -1.482 20 0 EAADRM CN1C(=O)N[C@@]2(CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828443813 583362100 /nfs/dbraw/zinc/36/21/00/583362100.db2.gz BJWXCFPHKCXISS-LKFCYVNXSA-N -1 0 340.336 -1.092 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828443815 583362060 /nfs/dbraw/zinc/36/20/60/583362060.db2.gz BJWXCFPHKCXISS-OTYXRUKQSA-N -1 0 340.336 -1.092 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828443818 583362031 /nfs/dbraw/zinc/36/20/31/583362031.db2.gz BJWXCFPHKCXISS-XPTSAGLGSA-N -1 0 340.336 -1.092 20 0 EAADRM CN1C(=O)N[C@@]2(CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828443820 583361929 /nfs/dbraw/zinc/36/19/29/583361929.db2.gz BJWXCFPHKCXISS-YMTOWFKASA-N -1 0 340.336 -1.092 20 0 EAADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828446001 583362612 /nfs/dbraw/zinc/36/26/12/583362612.db2.gz RDORVFNFBUDSSC-AMIZOPFISA-N -1 0 326.309 -1.482 20 0 EAADRM CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828446004 583362480 /nfs/dbraw/zinc/36/24/80/583362480.db2.gz RDORVFNFBUDSSC-ISVAXAHUSA-N -1 0 326.309 -1.482 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828446006 583362417 /nfs/dbraw/zinc/36/24/17/583362417.db2.gz RDORVFNFBUDSSC-OQPBUACISA-N -1 0 326.309 -1.482 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)C2)C1=O ZINC000828446008 583362364 /nfs/dbraw/zinc/36/23/64/583362364.db2.gz RDORVFNFBUDSSC-SDBXPKJASA-N -1 0 326.309 -1.482 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])C2)C1=O ZINC000828446216 583362483 /nfs/dbraw/zinc/36/24/83/583362483.db2.gz UJIDPPJPVIIKOF-DAROEXNTSA-N -1 0 326.309 -1.748 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])C2)C1=O ZINC000828446223 583362518 /nfs/dbraw/zinc/36/25/18/583362518.db2.gz UJIDPPJPVIIKOF-RBDZCENOSA-N -1 0 326.309 -1.748 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])C2)C1=O ZINC000828446225 583362566 /nfs/dbraw/zinc/36/25/66/583362566.db2.gz UJIDPPJPVIIKOF-UJVNDKKSSA-N -1 0 326.309 -1.748 20 0 EAADRM CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])C2)C1=O ZINC000828446227 583362442 /nfs/dbraw/zinc/36/24/42/583362442.db2.gz UJIDPPJPVIIKOF-UPFKWVMWSA-N -1 0 326.309 -1.748 20 0 EAADRM CN1C[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000828458727 583362487 /nfs/dbraw/zinc/36/24/87/583362487.db2.gz DZNYVYVIQWSSOG-SECBINFHSA-N -1 0 327.341 -1.662 20 0 EAADRM CN1C[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1=O ZINC000828458730 583362560 /nfs/dbraw/zinc/36/25/60/583362560.db2.gz DZNYVYVIQWSSOG-VIFPVBQESA-N -1 0 327.341 -1.662 20 0 EAADRM CN1CC[C@@H](N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)C1=O ZINC000828465368 583362472 /nfs/dbraw/zinc/36/24/72/583362472.db2.gz GMDSRFMCVNCQHO-LLVKDONJSA-N -1 0 346.409 -1.473 20 0 EAADRM CN1CC[C@H](N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)C1=O ZINC000828465370 583362633 /nfs/dbraw/zinc/36/26/33/583362633.db2.gz GMDSRFMCVNCQHO-NSHDSACASA-N -1 0 346.409 -1.473 20 0 EAADRM CN1CCC[C@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000828481856 583362582 /nfs/dbraw/zinc/36/25/82/583362582.db2.gz SZRRWJDSWZUDQH-JTQLQIEISA-N -1 0 341.368 -1.271 20 0 EAADRM CN1CCC[C@@H](NC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1=O ZINC000828481858 583362531 /nfs/dbraw/zinc/36/25/31/583362531.db2.gz SZRRWJDSWZUDQH-SNVBAGLBSA-N -1 0 341.368 -1.271 20 0 EAADRM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCS1(=O)=O ZINC000828484869 583362477 /nfs/dbraw/zinc/36/24/77/583362477.db2.gz APTFZKYRWQDOIL-MRVPVSSYSA-N -1 0 337.379 -1.225 20 0 EAADRM C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CCS1(=O)=O ZINC000828484877 583362341 /nfs/dbraw/zinc/36/23/41/583362341.db2.gz APTFZKYRWQDOIL-QMMMGPOBSA-N -1 0 337.379 -1.225 20 0 EAADRM CN1CCN(C(=O)CC2SC(=N)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493855 583362403 /nfs/dbraw/zinc/36/24/03/583362403.db2.gz DOSBKPFJNVYDDG-HTQZYQBOSA-N -1 0 329.382 -1.047 20 0 EAADRM CN1CCN(C(=O)CC2SC(=N)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493863 583362599 /nfs/dbraw/zinc/36/25/99/583362599.db2.gz DOSBKPFJNVYDDG-JGVFFNPUSA-N -1 0 329.382 -1.047 20 0 EAADRM CN1CCN(C(=O)CC2SC(=N)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493864 583362550 /nfs/dbraw/zinc/36/25/50/583362550.db2.gz DOSBKPFJNVYDDG-SFYZADRCSA-N -1 0 329.382 -1.047 20 0 EAADRM CN1CCN(C(=O)CC2SC(=N)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493866 583362462 /nfs/dbraw/zinc/36/24/62/583362462.db2.gz DOSBKPFJNVYDDG-YUMQZZPRSA-N -1 0 329.382 -1.047 20 0 EAADRM CN1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493911 583362329 /nfs/dbraw/zinc/36/23/29/583362329.db2.gz FGAGSPNIVFHCJL-JTQLQIEISA-N -1 0 326.353 -1.064 20 0 EAADRM CN1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493912 583362394 /nfs/dbraw/zinc/36/23/94/583362394.db2.gz FGAGSPNIVFHCJL-SNVBAGLBSA-N -1 0 326.353 -1.064 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)COC2CN(C(=O)[O-])C2)CC1 ZINC000828494089 583362377 /nfs/dbraw/zinc/36/23/77/583362377.db2.gz GVEZSSQGZYVODL-UHFFFAOYSA-N -1 0 328.369 -1.355 20 0 EAADRM CN1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494471 583362616 /nfs/dbraw/zinc/36/26/16/583362616.db2.gz JRDOJYSRWNGUEV-JTQLQIEISA-N -1 0 341.368 -1.271 20 0 EAADRM CN1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828494472 583362447 /nfs/dbraw/zinc/36/24/47/583362447.db2.gz JRDOJYSRWNGUEV-SNVBAGLBSA-N -1 0 341.368 -1.271 20 0 EAADRM CN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828494478 583362623 /nfs/dbraw/zinc/36/26/23/583362623.db2.gz JVZYKLRVKRNPAK-BDAKNGLRSA-N -1 0 327.341 -1.615 20 0 EAADRM CN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494481 583362420 /nfs/dbraw/zinc/36/24/20/583362420.db2.gz JVZYKLRVKRNPAK-DTWKUNHWSA-N -1 0 327.341 -1.615 20 0 EAADRM CN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494483 583362805 /nfs/dbraw/zinc/36/28/05/583362805.db2.gz JVZYKLRVKRNPAK-IUCAKERBSA-N -1 0 327.341 -1.615 20 0 EAADRM CN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828494485 583362967 /nfs/dbraw/zinc/36/29/67/583362967.db2.gz JVZYKLRVKRNPAK-RKDXNWHRSA-N -1 0 327.341 -1.615 20 0 EAADRM CN1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](CNC(=O)[O-])C1 ZINC000828495443 583362800 /nfs/dbraw/zinc/36/28/00/583362800.db2.gz QABYTAQZPZRVSL-LLVKDONJSA-N -1 0 348.425 -1.178 20 0 EAADRM CN1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](CNC(=O)[O-])C1 ZINC000828495444 583362908 /nfs/dbraw/zinc/36/29/08/583362908.db2.gz QABYTAQZPZRVSL-NSHDSACASA-N -1 0 348.425 -1.178 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828495808 583362821 /nfs/dbraw/zinc/36/28/21/583362821.db2.gz SOXWHZXUGWTHKL-LLVKDONJSA-N -1 0 328.369 -1.355 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000828495810 583362796 /nfs/dbraw/zinc/36/27/96/583362796.db2.gz SOXWHZXUGWTHKL-NSHDSACASA-N -1 0 328.369 -1.355 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828496169 583363072 /nfs/dbraw/zinc/36/30/72/583363072.db2.gz UTOGXGJNZBQPNN-GHMZBOCLSA-N -1 0 328.369 -1.620 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000828496170 583362945 /nfs/dbraw/zinc/36/29/45/583362945.db2.gz UTOGXGJNZBQPNN-MNOVXSKESA-N -1 0 328.369 -1.620 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828496171 583362793 /nfs/dbraw/zinc/36/27/93/583362793.db2.gz UTOGXGJNZBQPNN-QWRGUYRKSA-N -1 0 328.369 -1.620 20 0 EAADRM CN1CCN(C(=O)CCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000828496172 583362811 /nfs/dbraw/zinc/36/28/11/583362811.db2.gz UTOGXGJNZBQPNN-WDEREUQCSA-N -1 0 328.369 -1.620 20 0 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Cn1ccnc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)c1=O ZINC000833059729 583377961 /nfs/dbraw/zinc/37/79/61/583377961.db2.gz VWKFQCSDOXXBBP-UHFFFAOYSA-N -1 0 347.335 -1.581 20 0 EAADRM Cn1ncc2c1ncn(CC(=O)N1CCO[C@H](CC(=O)[O-])C1)c2=O ZINC000833062447 583377976 /nfs/dbraw/zinc/37/79/76/583377976.db2.gz PLVORYKFCXAERP-SECBINFHSA-N -1 0 335.320 -1.168 20 0 EAADRM Cn1ncc2c1ncn(CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c2=O ZINC000833062452 583377974 /nfs/dbraw/zinc/37/79/74/583377974.db2.gz PLVORYKFCXAERP-VIFPVBQESA-N -1 0 335.320 -1.168 20 0 EAADRM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[O-] ZINC000833081146 583378016 /nfs/dbraw/zinc/37/80/16/583378016.db2.gz CJNAMZJXPGPJIU-LLVKDONJSA-N -1 0 336.348 -1.027 20 0 EAADRM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[O-] ZINC000833081147 583377998 /nfs/dbraw/zinc/37/79/98/583377998.db2.gz CJNAMZJXPGPJIU-NSHDSACASA-N -1 0 336.348 -1.027 20 0 EAADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)o1 ZINC000833081338 583378028 /nfs/dbraw/zinc/37/80/28/583378028.db2.gz KUPPXBGOFKVVOH-JTQLQIEISA-N -1 0 345.333 -1.364 20 0 EAADRM NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)o1 ZINC000833081339 583378400 /nfs/dbraw/zinc/37/84/00/583378400.db2.gz KUPPXBGOFKVVOH-SNVBAGLBSA-N -1 0 345.333 -1.364 20 0 EAADRM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833082716 583378448 /nfs/dbraw/zinc/37/84/48/583378448.db2.gz XUQVDLDMASVBKO-UHFFFAOYSA-N -1 0 349.752 -1.001 20 0 EAADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])C2CC2)c[nH]1 ZINC000833084041 583378441 /nfs/dbraw/zinc/37/84/41/583378441.db2.gz GYMVNNLFRZTGOX-UHFFFAOYSA-N -1 0 344.349 -1.533 20 0 EAADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])C2CC2)c[nH]1 ZINC000833084563 583378421 /nfs/dbraw/zinc/37/84/21/583378421.db2.gz SMVUDNALFBHKMQ-JTQLQIEISA-N -1 0 344.349 -1.629 20 0 EAADRM NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H](C(=O)[O-])C2CC2)c[nH]1 ZINC000833084567 583378378 /nfs/dbraw/zinc/37/83/78/583378378.db2.gz SMVUDNALFBHKMQ-SNVBAGLBSA-N -1 0 344.349 -1.629 20 0 EAADRM NC(=O)c1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1 ZINC000833085364 583378461 /nfs/dbraw/zinc/37/84/61/583378461.db2.gz MJLJQYOULCCJID-UHFFFAOYSA-N -1 0 339.333 -1.060 20 0 EAADRM NS(=O)(=O)N1CCC(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000833087876 583378355 /nfs/dbraw/zinc/37/83/55/583378355.db2.gz HZWFQCRKDXEWMZ-JTQLQIEISA-N -1 0 335.382 -1.396 20 0 EAADRM NS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000833087884 583378507 /nfs/dbraw/zinc/37/85/07/583378507.db2.gz HZWFQCRKDXEWMZ-SNVBAGLBSA-N -1 0 335.382 -1.396 20 0 EAADRM NS(=O)(=O)N1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000833088010 583378386 /nfs/dbraw/zinc/37/83/86/583378386.db2.gz JWXRQCPRIUVWSM-UHFFFAOYSA-N -1 0 341.411 -1.608 20 0 EAADRM N=C1NC(=O)C(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])S1 ZINC000833088110 583378498 /nfs/dbraw/zinc/37/84/98/583378498.db2.gz GPXFCTMEYROLKZ-SECBINFHSA-N -1 0 344.393 -1.212 20 0 EAADRM N=C1NC(=O)C(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])S1 ZINC000833088181 583378423 /nfs/dbraw/zinc/37/84/23/583378423.db2.gz GPXFCTMEYROLKZ-VIFPVBQESA-N -1 0 344.393 -1.212 20 0 EAADRM NS(=O)(=O)CCN1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000833088712 583378483 /nfs/dbraw/zinc/37/84/83/583378483.db2.gz TUDAGRKAHPAAST-UHFFFAOYSA-N -1 0 343.427 -1.913 20 0 EAADRM NS(=O)(=O)c1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000833089461 583378521 /nfs/dbraw/zinc/37/85/21/583378521.db2.gz UIGZDMJQTHKXJO-UHFFFAOYSA-N -1 0 339.333 -1.060 20 0 EAADRM NS(=O)(=O)C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833089684 583378409 /nfs/dbraw/zinc/37/84/09/583378409.db2.gz UGPZIFBMGCQOCR-MRVPVSSYSA-N -1 0 331.354 -1.354 20 0 EAADRM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833089685 583378372 /nfs/dbraw/zinc/37/83/72/583378372.db2.gz UGPZIFBMGCQOCR-QMMMGPOBSA-N -1 0 331.354 -1.354 20 0 EAADRM NS(=O)(=O)C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833089800 583378471 /nfs/dbraw/zinc/37/84/71/583378471.db2.gz YPJAUNXYABADDZ-MRVPVSSYSA-N -1 0 331.354 -1.497 20 0 EAADRM NS(=O)(=O)C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC000833089801 583378505 /nfs/dbraw/zinc/37/85/05/583378505.db2.gz YPJAUNXYABADDZ-QMMMGPOBSA-N -1 0 331.354 -1.497 20 0 EAADRM NS(=O)(=O)c1cnn(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000833089895 583378464 /nfs/dbraw/zinc/37/84/64/583378464.db2.gz FOHSLENEMZANSJ-SECBINFHSA-N -1 0 332.338 -1.767 20 0 EAADRM NS(=O)(=O)c1cnn(CCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000833089896 583378451 /nfs/dbraw/zinc/37/84/51/583378451.db2.gz FOHSLENEMZANSJ-VIFPVBQESA-N -1 0 332.338 -1.767 20 0 EAADRM Nc1c(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000833089978 583378337 /nfs/dbraw/zinc/37/83/37/583378337.db2.gz KEGDKEGJJRFHTF-MRVPVSSYSA-N -1 0 338.320 -1.166 20 0 EAADRM Nc1c(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000833089979 583378512 /nfs/dbraw/zinc/37/85/12/583378512.db2.gz KEGDKEGJJRFHTF-QMMMGPOBSA-N -1 0 338.320 -1.166 20 0 EAADRM NS(=O)(=O)c1cnn(CCC(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833090201 583378405 /nfs/dbraw/zinc/37/84/05/583378405.db2.gz SLRYGBKSQIKIKJ-LLVKDONJSA-N -1 0 334.329 -1.054 20 0 EAADRM NS(=O)(=O)c1cnn(CCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833090202 583378474 /nfs/dbraw/zinc/37/84/74/583378474.db2.gz SLRYGBKSQIKIKJ-NSHDSACASA-N -1 0 334.329 -1.054 20 0 EAADRM Nc1nsc(N2CCN(C(=O)Cn3cc(C(=O)[O-])nn3)CC2)n1 ZINC000833090486 583378342 /nfs/dbraw/zinc/37/83/42/583378342.db2.gz BHEKGBGQKPZBHX-UHFFFAOYSA-N -1 0 338.353 -1.241 20 0 EAADRM Nc1ncnc2c1ncn2CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000833090790 583378454 /nfs/dbraw/zinc/37/84/54/583378454.db2.gz HOBGGTOWFJQKOZ-SSDOTTSWSA-N -1 0 333.308 -1.790 20 0 EAADRM Nc1ncnc2c1ncn2CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000833090796 583378375 /nfs/dbraw/zinc/37/83/75/583378375.db2.gz HOBGGTOWFJQKOZ-ZETCQYMHSA-N -1 0 333.308 -1.790 20 0 EAADRM O=C([O-])c1cn(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)nn1 ZINC000833107642 583378466 /nfs/dbraw/zinc/37/84/66/583378466.db2.gz GEOHYCPPXSQBBP-UHFFFAOYSA-N -1 0 336.352 -1.601 20 0 EAADRM O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000833107849 583378444 /nfs/dbraw/zinc/37/84/44/583378444.db2.gz IACXZTPUUVNKKS-GFCCVEGCSA-N -1 0 346.343 -1.034 20 0 EAADRM O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000833107852 583378490 /nfs/dbraw/zinc/37/84/90/583378490.db2.gz IACXZTPUUVNKKS-LBPRGKRZSA-N -1 0 346.343 -1.034 20 0 EAADRM O=C([O-])c1cn(CC(=O)NCC(=O)NCCN2CCOCC2)nn1 ZINC000833108402 583378515 /nfs/dbraw/zinc/37/85/15/583378515.db2.gz HVZHDCAJZFWQJJ-UHFFFAOYSA-N -1 0 340.340 -2.459 20 0 EAADRM O=C([O-])c1ccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000833108802 583378439 /nfs/dbraw/zinc/37/84/39/583378439.db2.gz YMKHFLWNQJWFJG-GFCCVEGCSA-N -1 0 346.343 -1.034 20 0 EAADRM O=C([O-])c1ccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000833108804 583378486 /nfs/dbraw/zinc/37/84/86/583378486.db2.gz YMKHFLWNQJWFJG-LBPRGKRZSA-N -1 0 346.343 -1.034 20 0 EAADRM O=C([O-])c1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000833108853 583378413 /nfs/dbraw/zinc/37/84/13/583378413.db2.gz YWTRVUQXMMAIMG-JTQLQIEISA-N -1 0 346.343 -1.034 20 0 EAADRM O=C([O-])c1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000833108854 583378492 /nfs/dbraw/zinc/37/84/92/583378492.db2.gz YWTRVUQXMMAIMG-SNVBAGLBSA-N -1 0 346.343 -1.034 20 0 EAADRM O=C([O-])c1cc(C(=O)NCC(=O)NCCN2CCOCC2)ccn1 ZINC000833110766 583378435 /nfs/dbraw/zinc/37/84/35/583378435.db2.gz ZHLGNEQVSJYIEL-UHFFFAOYSA-N -1 0 336.348 -1.042 20 0 EAADRM O=C([O-])c1cn(CC(=O)NCCS(=O)(=O)N2CCOCC2)nn1 ZINC000833120526 583378477 /nfs/dbraw/zinc/37/84/77/583378477.db2.gz BAZKAYZPCCRQFR-UHFFFAOYSA-N -1 0 347.353 -2.246 20 0 EAADRM O=C([O-])c1cn(CC(=O)NCCCn2nc3n(c2=O)CCCC3)nn1 ZINC000833120646 583378367 /nfs/dbraw/zinc/37/83/67/583378367.db2.gz JSVUDFLBMTWISR-UHFFFAOYSA-N -1 0 349.351 -1.123 20 0 EAADRM O=C([O-])c1cn(CC(=O)NCCS(=O)(=O)NCC2CCC2)nn1 ZINC000833120879 583378430 /nfs/dbraw/zinc/37/84/30/583378430.db2.gz SBPAHRZQLPXEMY-UHFFFAOYSA-N -1 0 345.381 -1.188 20 0 EAADRM O=C([O-])c1cn(CC(=O)NCCCN2CCCS2(=O)=O)nn1 ZINC000833121251 583378481 /nfs/dbraw/zinc/37/84/81/583378481.db2.gz ZBUQNRHOXMRNDJ-UHFFFAOYSA-N -1 0 331.354 -1.482 20 0 EAADRM O=C([O-])[C@@]1(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCOC1 ZINC000833128165 583378457 /nfs/dbraw/zinc/37/84/57/583378457.db2.gz ACOPNHCVYNECFX-CYBMUJFWSA-N -1 0 341.345 -1.156 20 0 EAADRM O=C([O-])[C@]1(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCOC1 ZINC000833128166 583378495 /nfs/dbraw/zinc/37/84/95/583378495.db2.gz ACOPNHCVYNECFX-ZDUSSCGKSA-N -1 0 341.345 -1.156 20 0 EAADRM O=C([O-])C1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 ZINC000833190268 583378358 /nfs/dbraw/zinc/37/83/58/583378358.db2.gz ZSVHDMUKHZOXOL-UHFFFAOYSA-N -1 0 343.424 -1.064 20 0 EAADRM O=C([O-])[C@@H]1COCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000833192586 583378473 /nfs/dbraw/zinc/37/84/73/583378473.db2.gz LKSKKHSULQUHKP-JTQLQIEISA-N -1 0 341.345 -1.204 20 0 EAADRM O=C([O-])[C@H]1COCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000833192587 583378509 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Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)c1[O-] ZINC000944242113 669510785 /nfs/dbraw/zinc/51/07/85/669510785.db2.gz IMUPRKJDGJUQGD-BDAKNGLRSA-N -1 0 336.352 -1.174 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)c1[O-] ZINC000944242114 669510832 /nfs/dbraw/zinc/51/08/32/669510832.db2.gz IMUPRKJDGJUQGD-RKDXNWHRSA-N -1 0 336.352 -1.174 20 0 EAADRM NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000944249106 669507857 /nfs/dbraw/zinc/50/78/57/669507857.db2.gz QIPFXVREPLAYTB-MRVPVSSYSA-N -1 0 332.320 -1.771 20 0 EAADRM CO[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944251780 669511304 /nfs/dbraw/zinc/51/13/04/669511304.db2.gz ALFZDCJKPWAFOH-RKDXNWHRSA-N -1 0 325.325 -1.559 20 0 EAADRM CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944251825 669511509 /nfs/dbraw/zinc/51/15/09/669511509.db2.gz CGTXBQNEFPVZSO-AXTSPUMRSA-N -1 0 339.352 -1.313 20 0 EAADRM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944251826 669511263 /nfs/dbraw/zinc/51/12/63/669511263.db2.gz CGTXBQNEFPVZSO-ZYUZMQFOSA-N -1 0 339.352 -1.313 20 0 EAADRM CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252069 669511254 /nfs/dbraw/zinc/51/12/54/669511254.db2.gz MAILDLCRAZBCAN-PHDIDXHHSA-N -1 0 328.285 -3.483 20 0 EAADRM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC000944252104 669511414 /nfs/dbraw/zinc/51/14/14/669511414.db2.gz NFWAOEOEWFMOQP-DJLDLDEBSA-N -1 0 345.331 -1.221 20 0 EAADRM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC000944252105 669511531 /nfs/dbraw/zinc/51/15/31/669511531.db2.gz NFWAOEOEWFMOQP-IWSPIJDZSA-N -1 0 345.331 -1.221 20 0 EAADRM CO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252400 669511599 /nfs/dbraw/zinc/51/15/99/669511599.db2.gz RBNKBPNBQVIXOG-RKDXNWHRSA-N -1 0 339.352 -1.169 20 0 EAADRM CO[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252504 669511511 /nfs/dbraw/zinc/51/15/11/669511511.db2.gz RVLKMSOLACJZDM-NXEZZACHSA-N -1 0 339.352 -1.169 20 0 EAADRM CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944252538 669511433 /nfs/dbraw/zinc/51/14/33/669511433.db2.gz SBWXYSPVMQHQFU-PHDIDXHHSA-N -1 0 335.267 -1.704 20 0 EAADRM O=C(Cn1cncn1)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944309707 669519404 /nfs/dbraw/zinc/51/94/04/669519404.db2.gz PIHDCXKIYYHYIB-MRVPVSSYSA-N -1 0 348.323 -1.705 20 0 EAADRM O=C(Cc1nnc[nH]1)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944311759 669520778 /nfs/dbraw/zinc/52/07/78/669520778.db2.gz WWCXQSSJCFWJRK-SSDOTTSWSA-N -1 0 348.323 -1.636 20 0 EAADRM O=C(Cc1cnc[nH]1)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000944327244 669522770 /nfs/dbraw/zinc/52/27/70/669522770.db2.gz HZAKQJATLSIRJR-SECBINFHSA-N -1 0 347.335 -1.031 20 0 EAADRM CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944377983 669528058 /nfs/dbraw/zinc/52/80/58/669528058.db2.gz KHDDAXJXKMLKNG-HTQZYQBOSA-N -1 0 339.308 -3.073 20 0 EAADRM CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378222 669527915 /nfs/dbraw/zinc/52/79/15/669527915.db2.gz QLWJGEBIYRPRPZ-HTQZYQBOSA-N -1 0 346.290 -1.293 20 0 EAADRM CO[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944378441 669528086 /nfs/dbraw/zinc/52/80/86/669528086.db2.gz VCOCEKAVZINDKB-GHMZBOCLSA-N -1 0 336.348 -1.149 20 0 EAADRM COCC(=O)N1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC000944378470 669528035 /nfs/dbraw/zinc/52/80/35/669528035.db2.gz WIJQPJHKMIAUNG-NXEZZACHSA-N -1 0 340.336 -1.912 20 0 EAADRM CC(=O)NC[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CCO1 ZINC000944430861 669537534 /nfs/dbraw/zinc/53/75/34/669537534.db2.gz ONZQLQGZZGRRAS-SECBINFHSA-N -1 0 325.325 -1.421 20 0 EAADRM CC(=O)NC[C@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CCO1 ZINC000944430862 669537359 /nfs/dbraw/zinc/53/73/59/669537359.db2.gz ONZQLQGZZGRRAS-VIFPVBQESA-N -1 0 325.325 -1.421 20 0 EAADRM CC(=O)NC[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000944431364 669537179 /nfs/dbraw/zinc/53/71/79/669537179.db2.gz YDRXVZCVZBNJPT-JTQLQIEISA-N -1 0 334.336 -1.565 20 0 EAADRM CC(=O)NC[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCO1 ZINC000944431365 669537562 /nfs/dbraw/zinc/53/75/62/669537562.db2.gz YDRXVZCVZBNJPT-SNVBAGLBSA-N -1 0 334.336 -1.565 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](CNC(=O)C2CCC2)C1 ZINC000944435336 669534545 /nfs/dbraw/zinc/53/45/45/669534545.db2.gz ITFSKMMQPKHDNI-JTQLQIEISA-N -1 0 339.352 -1.167 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](CNC(=O)C2CCC2)C1 ZINC000944435337 669534472 /nfs/dbraw/zinc/53/44/72/669534472.db2.gz ITFSKMMQPKHDNI-SNVBAGLBSA-N -1 0 339.352 -1.167 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](CNC(=O)C2CC2)C1 ZINC000944436314 669535069 /nfs/dbraw/zinc/53/50/69/669535069.db2.gz WKGLBWAXELYSON-SECBINFHSA-N -1 0 325.325 -1.557 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](CNC(=O)C2CC2)C1 ZINC000944436315 669535107 /nfs/dbraw/zinc/53/51/07/669535107.db2.gz WKGLBWAXELYSON-VIFPVBQESA-N -1 0 325.325 -1.557 20 0 EAADRM O=C(NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1)c1ccc[nH]1 ZINC000944469366 669548516 /nfs/dbraw/zinc/54/85/16/669548516.db2.gz CAUBLTRWIYQRIU-MRVPVSSYSA-N -1 0 348.319 -1.118 20 0 EAADRM O=C(NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1)c1ccc[nH]1 ZINC000944469367 669548578 /nfs/dbraw/zinc/54/85/78/669548578.db2.gz CAUBLTRWIYQRIU-QMMMGPOBSA-N -1 0 348.319 -1.118 20 0 EAADRM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC000944474189 669549778 /nfs/dbraw/zinc/54/97/78/669549778.db2.gz JKFCLJHEBCIXET-FNCVBFRFSA-N -1 0 337.336 -1.106 20 0 EAADRM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC000944474578 669549531 /nfs/dbraw/zinc/54/95/31/669549531.db2.gz NRZJGKREYCUIFY-ZYUZMQFOSA-N -1 0 339.352 -1.313 20 0 EAADRM O=C(NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1)c1ccn[nH]1 ZINC000944492380 669545704 /nfs/dbraw/zinc/54/57/04/669545704.db2.gz QOCOGMFELMRCPT-SSDOTTSWSA-N -1 0 349.307 -1.723 20 0 EAADRM O=C(NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1)c1ccn[nH]1 ZINC000944492381 669545789 /nfs/dbraw/zinc/54/57/89/669545789.db2.gz QOCOGMFELMRCPT-ZETCQYMHSA-N -1 0 349.307 -1.723 20 0 EAADRM O=C(NC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1)c1cn[nH]c1 ZINC000944492899 669545902 /nfs/dbraw/zinc/54/59/02/669545902.db2.gz WOWRRNPHZVXDFN-MRVPVSSYSA-N -1 0 349.307 -1.723 20 0 EAADRM O=C(NC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1)c1cn[nH]c1 ZINC000944492900 669545851 /nfs/dbraw/zinc/54/58/51/669545851.db2.gz WOWRRNPHZVXDFN-QMMMGPOBSA-N -1 0 349.307 -1.723 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)c1[O-] ZINC000944547529 669570619 /nfs/dbraw/zinc/57/06/19/669570619.db2.gz SZTSPUJYZPJJFB-MRVPVSSYSA-N -1 0 335.324 -1.187 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)c1[O-] ZINC000944547530 669570607 /nfs/dbraw/zinc/57/06/07/669570607.db2.gz SZTSPUJYZPJJFB-QMMMGPOBSA-N -1 0 335.324 -1.187 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)c1[O-] ZINC000944548484 669571957 /nfs/dbraw/zinc/57/19/57/669571957.db2.gz DGKVCFXSFGSJCG-MRVPVSSYSA-N -1 0 335.324 -1.187 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)c1[O-] ZINC000944548485 669571878 /nfs/dbraw/zinc/57/18/78/669571878.db2.gz DGKVCFXSFGSJCG-QMMMGPOBSA-N -1 0 335.324 -1.187 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3cn(C)nn3)CCO2)c1[O-] ZINC000944548852 669571896 /nfs/dbraw/zinc/57/18/96/669571896.db2.gz GYIANJHKYDUSDH-SECBINFHSA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)c3cn(C)nn3)CCO2)c1[O-] ZINC000944548853 669571831 /nfs/dbraw/zinc/57/18/31/669571831.db2.gz GYIANJHKYDUSDH-VIFPVBQESA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3cnn(C)n3)CCO2)c1[O-] ZINC000944549194 669571884 /nfs/dbraw/zinc/57/18/84/669571884.db2.gz KKXWXGGTJGWNPG-SECBINFHSA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)c3cnn(C)n3)CCO2)c1[O-] ZINC000944549195 669571647 /nfs/dbraw/zinc/57/16/47/669571647.db2.gz KKXWXGGTJGWNPG-VIFPVBQESA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)Cn3nccn3)CCO2)c1[O-] ZINC000944549254 669572004 /nfs/dbraw/zinc/57/20/04/669572004.db2.gz KUQQYPXRBNVNCM-JTQLQIEISA-N -1 0 349.351 -1.327 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)Cn3nccn3)CCO2)c1[O-] ZINC000944549255 669571709 /nfs/dbraw/zinc/57/17/09/669571709.db2.gz KUQQYPXRBNVNCM-SNVBAGLBSA-N -1 0 349.351 -1.327 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3ncn(C)n3)CCO2)c1[O-] ZINC000944549688 669571906 /nfs/dbraw/zinc/57/19/06/669571906.db2.gz OBWYMCUEIGUFRL-SECBINFHSA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)c3ncn(C)n3)CCO2)c1[O-] ZINC000944549689 669571760 /nfs/dbraw/zinc/57/17/60/669571760.db2.gz OBWYMCUEIGUFRL-VIFPVBQESA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)c1[O-] ZINC000944550370 669572514 /nfs/dbraw/zinc/57/25/14/669572514.db2.gz UEQROSPIIXSKPQ-SECBINFHSA-N -1 0 349.351 -1.258 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)c1[O-] ZINC000944550371 669572495 /nfs/dbraw/zinc/57/24/95/669572495.db2.gz UEQROSPIIXSKPQ-VIFPVBQESA-N -1 0 349.351 -1.258 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)c3cnnn3C)CCO2)c1[O-] ZINC000944551062 669572418 /nfs/dbraw/zinc/57/24/18/669572418.db2.gz WDEAXGHAMPHRMQ-SECBINFHSA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)c3cnnn3C)CCO2)c1[O-] ZINC000944551063 669572525 /nfs/dbraw/zinc/57/25/25/669572525.db2.gz WDEAXGHAMPHRMQ-VIFPVBQESA-N -1 0 349.351 -1.177 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)c1[O-] ZINC000944551470 669572569 /nfs/dbraw/zinc/57/25/69/669572569.db2.gz WTYUCKXOJJOHPY-MRVPVSSYSA-N -1 0 325.325 -1.744 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)c1[O-] ZINC000944551474 669572488 /nfs/dbraw/zinc/57/24/88/669572488.db2.gz WTYUCKXOJJOHPY-QMMMGPOBSA-N -1 0 325.325 -1.744 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)Cn3cncn3)CCO2)c1[O-] ZINC000944553045 669580746 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Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1[O-] ZINC000950458973 670244263 /nfs/dbraw/zinc/24/42/63/670244263.db2.gz JRPOMQIXLVZJTA-RKDXNWHRSA-N -1 0 336.352 -1.174 20 0 EAADRM Cc1ncn(C)c1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950503230 670246040 /nfs/dbraw/zinc/24/60/40/670246040.db2.gz SYQWCKGFVMTKRG-MRVPVSSYSA-N -1 0 347.335 -1.031 20 0 EAADRM Cc1ncn(C)c1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950503231 670246017 /nfs/dbraw/zinc/24/60/17/670246017.db2.gz SYQWCKGFVMTKRG-QMMMGPOBSA-N -1 0 347.335 -1.031 20 0 EAADRM Cc1ncn(C)c1C(=O)NC[C@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950506574 670246062 /nfs/dbraw/zinc/24/60/62/670246062.db2.gz MDBAHJVXMQTCGR-SECBINFHSA-N -1 0 349.351 -1.238 20 0 EAADRM Cc1ncn(C)c1C(=O)NC[C@@H]1CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000950506575 670246075 /nfs/dbraw/zinc/24/60/75/670246075.db2.gz MDBAHJVXMQTCGR-VIFPVBQESA-N -1 0 349.351 -1.238 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC000950519759 670246692 /nfs/dbraw/zinc/24/66/92/670246692.db2.gz OWJVNXJZZMPZOB-MRVPVSSYSA-N -1 0 349.307 -1.784 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC000950519760 670246579 /nfs/dbraw/zinc/24/65/79/670246579.db2.gz OWJVNXJZZMPZOB-QMMMGPOBSA-N -1 0 349.307 -1.784 20 0 EAADRM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950520131 670246751 /nfs/dbraw/zinc/24/67/51/670246751.db2.gz XEHFSIQLZRVVOP-LURJTMIESA-N -1 0 349.307 -1.336 20 0 EAADRM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000950520132 670246712 /nfs/dbraw/zinc/24/67/12/670246712.db2.gz XEHFSIQLZRVVOP-ZCFIWIBFSA-N -1 0 349.307 -1.336 20 0 EAADRM O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cn[nH]c(=O)c1 ZINC000950520231 670246586 /nfs/dbraw/zinc/24/65/86/670246586.db2.gz ZNTGIXWMJMNBPI-SSDOTTSWSA-N -1 0 347.291 -1.577 20 0 EAADRM O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cn[nH]c(=O)c1 ZINC000950520232 670246589 /nfs/dbraw/zinc/24/65/89/670246589.db2.gz 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COC1CC(C(=O)NC[C@@H]2CCN2C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950542304 670247789 /nfs/dbraw/zinc/24/77/89/670247789.db2.gz YTHUPAVFXQVFFI-KYHHOPLUSA-N -1 0 339.352 -1.169 20 0 EAADRM O=C([C@H]1CCc2nnnn2CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950611765 670250228 /nfs/dbraw/zinc/25/02/28/670250228.db2.gz XWWWOIGQTZVKQE-JTQLQIEISA-N -1 0 347.383 -1.206 20 0 EAADRM O=C([C@@H]1CCc2nnnn2CC1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000950611766 670250452 /nfs/dbraw/zinc/25/04/52/670250452.db2.gz XWWWOIGQTZVKQE-SNVBAGLBSA-N -1 0 347.383 -1.206 20 0 EAADRM CC(C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950628887 670250233 /nfs/dbraw/zinc/25/02/33/670250233.db2.gz UFQOOLGAYOXYTO-SECBINFHSA-N -1 0 341.368 -1.043 20 0 EAADRM CC(C)(O)CC(=O)N1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000950628888 670250436 /nfs/dbraw/zinc/25/04/36/670250436.db2.gz UFQOOLGAYOXYTO-VIFPVBQESA-N -1 0 341.368 -1.043 20 0 EAADRM Cn1nncc1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000950652230 670252162 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Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)c1[O-] ZINC000957974379 670606049 /nfs/dbraw/zinc/60/60/49/670606049.db2.gz BYPGXJGQAGDDRZ-ZJUUUORDSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)c1[O-] ZINC000957974452 670605815 /nfs/dbraw/zinc/60/58/15/670605815.db2.gz DJPJBRVEAFRXHX-GHMZBOCLSA-N -1 0 337.380 -1.321 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)c1[O-] ZINC000957974453 670606036 /nfs/dbraw/zinc/60/60/36/670606036.db2.gz DJPJBRVEAFRXHX-MNOVXSKESA-N -1 0 337.380 -1.321 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)c1[O-] ZINC000957974454 670605871 /nfs/dbraw/zinc/60/58/71/670605871.db2.gz DJPJBRVEAFRXHX-QWRGUYRKSA-N -1 0 337.380 -1.321 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC(=O)N3CCC3)C[C@H]2O)c1[O-] ZINC000957974455 670606085 /nfs/dbraw/zinc/60/60/85/670606085.db2.gz DJPJBRVEAFRXHX-WDEREUQCSA-N -1 0 337.380 -1.321 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnn(C)n3)C[C@H]2O)c1[O-] ZINC000957974624 670606053 /nfs/dbraw/zinc/60/60/53/670606053.db2.gz HCGJFGDPIIXBOI-GXSJLCMTSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC000957974625 670605967 /nfs/dbraw/zinc/60/59/67/670605967.db2.gz HCGJFGDPIIXBOI-KOLCDFICSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)c1[O-] ZINC000957974626 670605951 /nfs/dbraw/zinc/60/59/51/670605951.db2.gz HCGJFGDPIIXBOI-MWLCHTKSSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC000957974627 670606781 /nfs/dbraw/zinc/60/67/81/670606781.db2.gz HCGJFGDPIIXBOI-ONGXEEELSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)c1[O-] ZINC000957974688 670606773 /nfs/dbraw/zinc/60/67/73/670606773.db2.gz HRPPTYABJGVYGI-BDAKNGLRSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3nnn(C)n3)C[C@H]2O)c1[O-] ZINC000957974689 670606444 /nfs/dbraw/zinc/60/64/44/670606444.db2.gz HRPPTYABJGVYGI-DTWKUNHWSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)c1[O-] ZINC000957974690 670606489 /nfs/dbraw/zinc/60/64/89/670606489.db2.gz HRPPTYABJGVYGI-IUCAKERBSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)c1[O-] ZINC000957974691 670606472 /nfs/dbraw/zinc/60/64/72/670606472.db2.gz HRPPTYABJGVYGI-RKDXNWHRSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)c1[O-] ZINC000957974708 670606767 /nfs/dbraw/zinc/60/67/67/670606767.db2.gz HWHDSVGHONZACR-BDAKNGLRSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3nnnn3C)C[C@H]2O)c1[O-] ZINC000957974709 670606551 /nfs/dbraw/zinc/60/65/51/670606551.db2.gz HWHDSVGHONZACR-DTWKUNHWSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3nnnn3C)C[C@@H]2O)c1[O-] ZINC000957974710 670606607 /nfs/dbraw/zinc/60/66/07/670606607.db2.gz HWHDSVGHONZACR-IUCAKERBSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)c1[O-] ZINC000957974711 670606595 /nfs/dbraw/zinc/60/65/95/670606595.db2.gz HWHDSVGHONZACR-RKDXNWHRSA-N -1 0 336.356 -1.830 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC000957974790 670606462 /nfs/dbraw/zinc/60/64/62/670606462.db2.gz IREMCJUDFXHFLA-GXSJLCMTSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC000957974791 670606752 /nfs/dbraw/zinc/60/67/52/670606752.db2.gz IREMCJUDFXHFLA-KOLCDFICSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC000957974792 670606600 /nfs/dbraw/zinc/60/66/00/670606600.db2.gz IREMCJUDFXHFLA-MWLCHTKSSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC000957974793 670606748 /nfs/dbraw/zinc/60/67/48/670606748.db2.gz IREMCJUDFXHFLA-ONGXEEELSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC000957974918 670606967 /nfs/dbraw/zinc/60/69/67/670606967.db2.gz KJZROWXDMLSVBY-GXSJLCMTSA-N -1 0 337.380 -1.275 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC000957974919 670606568 /nfs/dbraw/zinc/60/65/68/670606568.db2.gz KJZROWXDMLSVBY-KOLCDFICSA-N -1 0 337.380 -1.275 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC000957974920 670606577 /nfs/dbraw/zinc/60/65/77/670606577.db2.gz KJZROWXDMLSVBY-MWLCHTKSSA-N -1 0 337.380 -1.275 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC000957974921 670606802 /nfs/dbraw/zinc/60/68/02/670606802.db2.gz KJZROWXDMLSVBY-ONGXEEELSA-N -1 0 337.380 -1.275 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nncn3C)C[C@H]2O)c1[O-] ZINC000957974978 670606545 /nfs/dbraw/zinc/60/65/45/670606545.db2.gz LHQXRYRDWUKQPF-NXEZZACHSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3nncn3C)C[C@@H]2O)c1[O-] ZINC000957974979 670606596 /nfs/dbraw/zinc/60/65/96/670606596.db2.gz LHQXRYRDWUKQPF-UWVGGRQHSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3nncn3C)C[C@H]2O)c1[O-] ZINC000957974980 670606776 /nfs/dbraw/zinc/60/67/76/670606776.db2.gz LHQXRYRDWUKQPF-VHSXEESVSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)c1[O-] ZINC000957974981 670606747 /nfs/dbraw/zinc/60/67/47/670606747.db2.gz LHQXRYRDWUKQPF-ZJUUUORDSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cn(C)nn3)C[C@H]2O)c1[O-] ZINC000957975142 670606881 /nfs/dbraw/zinc/60/68/81/670606881.db2.gz NIMUUDSUHMRAFK-GXSJLCMTSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)c1[O-] ZINC000957975143 670606830 /nfs/dbraw/zinc/60/68/30/670606830.db2.gz NIMUUDSUHMRAFK-KOLCDFICSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)c1[O-] ZINC000957975144 670606949 /nfs/dbraw/zinc/60/69/49/670606949.db2.gz NIMUUDSUHMRAFK-MWLCHTKSSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)c1[O-] ZINC000957975145 670606513 /nfs/dbraw/zinc/60/65/13/670606513.db2.gz NIMUUDSUHMRAFK-ONGXEEELSA-N -1 0 335.368 -1.225 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC000957975150 670606814 /nfs/dbraw/zinc/60/68/14/670606814.db2.gz NPDVWAFOEFAEHE-NXEZZACHSA-N -1 0 346.409 -1.509 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)c1[O-] ZINC000957975151 670606695 /nfs/dbraw/zinc/60/66/95/670606695.db2.gz NPDVWAFOEFAEHE-UWVGGRQHSA-N -1 0 346.409 -1.509 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CCS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC000957975152 670606645 /nfs/dbraw/zinc/60/66/45/670606645.db2.gz NPDVWAFOEFAEHE-VHSXEESVSA-N -1 0 346.409 -1.509 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)c1[O-] ZINC000957975153 670606986 /nfs/dbraw/zinc/60/69/86/670606986.db2.gz NPDVWAFOEFAEHE-ZJUUUORDSA-N -1 0 346.409 -1.509 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)c1[O-] ZINC000957975202 670606916 /nfs/dbraw/zinc/60/69/16/670606916.db2.gz OIGKOGQZFWUMEX-NXEZZACHSA-N -1 0 325.369 -1.466 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)c1[O-] ZINC000957975203 670606705 /nfs/dbraw/zinc/60/67/05/670606705.db2.gz OIGKOGQZFWUMEX-UWVGGRQHSA-N -1 0 325.369 -1.466 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC(=O)N(C)C)C[C@H]2O)c1[O-] ZINC000957975204 670606841 /nfs/dbraw/zinc/60/68/41/670606841.db2.gz OIGKOGQZFWUMEX-VHSXEESVSA-N -1 0 325.369 -1.466 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)c1[O-] ZINC000957975205 670606678 /nfs/dbraw/zinc/60/66/78/670606678.db2.gz OIGKOGQZFWUMEX-ZJUUUORDSA-N -1 0 325.369 -1.466 20 0 EAADRM COc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC000957979053 670606610 /nfs/dbraw/zinc/60/66/10/670606610.db2.gz LBKCEYWXVMXEEX-HTQZYQBOSA-N -1 0 338.324 -1.270 20 0 EAADRM COc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC000957979054 670606727 /nfs/dbraw/zinc/60/67/27/670606727.db2.gz LBKCEYWXVMXEEX-JGVFFNPUSA-N -1 0 338.324 -1.270 20 0 EAADRM COc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC000957979055 670606686 /nfs/dbraw/zinc/60/66/86/670606686.db2.gz LBKCEYWXVMXEEX-SFYZADRCSA-N -1 0 338.324 -1.270 20 0 EAADRM COc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC000957979056 670606789 /nfs/dbraw/zinc/60/67/89/670606789.db2.gz LBKCEYWXVMXEEX-YUMQZZPRSA-N -1 0 338.324 -1.270 20 0 EAADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncn1 ZINC000957985058 670607746 /nfs/dbraw/zinc/60/77/46/670607746.db2.gz CSUBQXDISZMTLS-GXSJLCMTSA-N -1 0 333.352 -1.169 20 0 EAADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncn1 ZINC000957985059 670608072 /nfs/dbraw/zinc/60/80/72/670608072.db2.gz CSUBQXDISZMTLS-KOLCDFICSA-N -1 0 333.352 -1.169 20 0 EAADRM Cc1cc(C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncn1 ZINC000957985060 670608670 /nfs/dbraw/zinc/60/86/70/670608670.db2.gz CSUBQXDISZMTLS-MWLCHTKSSA-N -1 0 333.352 -1.169 20 0 EAADRM Cc1cc(C(=O)NC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncn1 ZINC000957985061 670608665 /nfs/dbraw/zinc/60/86/65/670608665.db2.gz CSUBQXDISZMTLS-ONGXEEELSA-N -1 0 333.352 -1.169 20 0 EAADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncccc1O ZINC000957994476 670608928 /nfs/dbraw/zinc/60/89/28/670608928.db2.gz CNUYZVFJNOBBSP-PSASIEDQSA-N -1 0 334.336 -1.166 20 0 EAADRM O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1O ZINC000957994477 670609363 /nfs/dbraw/zinc/60/93/63/670609363.db2.gz CNUYZVFJNOBBSP-SCZZXKLOSA-N -1 0 334.336 -1.166 20 0 EAADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncccc1O ZINC000957994478 670609115 /nfs/dbraw/zinc/60/91/15/670609115.db2.gz CNUYZVFJNOBBSP-WCBMZHEXSA-N -1 0 334.336 -1.166 20 0 EAADRM O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1O ZINC000957994479 670609397 /nfs/dbraw/zinc/60/93/97/670609397.db2.gz CNUYZVFJNOBBSP-WPRPVWTQSA-N -1 0 334.336 -1.166 20 0 EAADRM O=C(NC[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncccc1O ZINC000957994852 670608959 /nfs/dbraw/zinc/60/89/59/670608959.db2.gz IURNSBJEUIRZCA-AAEUAGOBSA-N -1 0 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0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2O)c1[O-] ZINC000962304717 672074569 /nfs/dbraw/zinc/07/45/69/672074569.db2.gz VPCYMHKCJXMIKQ-ZJUUUORDSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1cc(CC(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)[nH]n1 ZINC000962304732 672074605 /nfs/dbraw/zinc/07/46/05/672074605.db2.gz VZZPDCZQIVUOKU-MNOVXSKESA-N -1 0 348.363 -1.001 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2O)c1[O-] ZINC000962304750 672074521 /nfs/dbraw/zinc/07/45/21/672074521.db2.gz WSBCEMWYONVAAT-ZJUUUORDSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cncnc3)C[C@@H]2O)c1[O-] ZINC000962304789 672074440 /nfs/dbraw/zinc/07/44/40/672074440.db2.gz XKTWQJRJWFEIIG-MNOVXSKESA-N -1 0 346.347 -1.242 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@@H]2O)c1[O-] ZINC000962304799 672074496 /nfs/dbraw/zinc/07/44/96/672074496.db2.gz XSFGMRFIDAMURF-ZJUUUORDSA-N -1 0 334.336 -1.227 20 0 EAADRM 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ZINC000962306544 672074658 /nfs/dbraw/zinc/07/46/58/672074658.db2.gz CQFWFXGDUBECAS-SFYZADRCSA-N -1 0 335.324 -1.914 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@@H]2O)c1[O-] ZINC000962306617 672074481 /nfs/dbraw/zinc/07/44/81/672074481.db2.gz DEVLPMSGTJASDS-ZJUUUORDSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2O)c1[O-] ZINC000962307084 672074503 /nfs/dbraw/zinc/07/45/03/672074503.db2.gz FAJYUWDRHCWRNN-BDAKNGLRSA-N -1 0 335.324 -1.983 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]2O)c1[O-] ZINC000962307217 672074424 /nfs/dbraw/zinc/07/44/24/672074424.db2.gz GNJZSYJIJBGUTN-BDAKNGLRSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]2O)c1[O-] ZINC000962307220 672074465 /nfs/dbraw/zinc/07/44/65/672074465.db2.gz GNRMXUJWBLEPBD-SCZZXKLOSA-N -1 0 334.336 -1.227 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]2O)c1[O-] ZINC000962307264 672074488 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KONFKTXASHCHKT-MNOVXSKESA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2O)c1[O-] ZINC000962307661 672074691 /nfs/dbraw/zinc/07/46/91/672074691.db2.gz KPDUFOWVGGYPJE-PRJMDXOYSA-N -1 0 338.324 -2.593 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]2O)c1[O-] ZINC000962307662 672074595 /nfs/dbraw/zinc/07/45/95/672074595.db2.gz KPDUFOWVGGYPJE-RNJXMRFFSA-N -1 0 338.324 -2.593 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2O)c1[O-] ZINC000962307667 672074547 /nfs/dbraw/zinc/07/45/47/672074547.db2.gz KYPZKZZDTZEWJX-ZJUUUORDSA-N -1 0 334.336 -1.309 20 0 EAADRM CCn1cc(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)nn1 ZINC000962307700 672074707 /nfs/dbraw/zinc/07/47/07/672074707.db2.gz MCCNQFLHPRKTTR-SCZZXKLOSA-N -1 0 349.351 -1.350 20 0 EAADRM Cc1ccn(CC(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H](O)C2)n1 ZINC000962308261 672074435 /nfs/dbraw/zinc/07/44/35/672074435.db2.gz NENMLFARUBREAG-MNOVXSKESA-N -1 0 348.363 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Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2O)c1[O-] ZINC000962308889 672075107 /nfs/dbraw/zinc/07/51/07/672075107.db2.gz UIAQAFNGWPKKNO-SFYZADRCSA-N -1 0 337.336 -2.009 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]2O)c1[O-] ZINC000962308890 672075139 /nfs/dbraw/zinc/07/51/39/672075139.db2.gz UITIZDUABCFAIZ-ZJUUUORDSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2O)c1[O-] ZINC000962308891 672075058 /nfs/dbraw/zinc/07/50/58/672075058.db2.gz UKODULXZUDXALO-BDAKNGLRSA-N -1 0 335.324 -1.983 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]2O)c1[O-] ZINC000962308991 672074989 /nfs/dbraw/zinc/07/49/89/672074989.db2.gz WKNXLWRJEJAJPL-ZJUUUORDSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@@H]2O)c1[O-] ZINC000962309290 672075069 /nfs/dbraw/zinc/07/50/69/672075069.db2.gz ZJBIXQCAHFJUDO-BDAKNGLRSA-N -1 0 348.319 -1.465 20 0 EAADRM 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Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]2O)c1[O-] ZINC000991383815 669448998 /nfs/dbraw/zinc/44/89/98/669448998.db2.gz CKHDTTIJQLPRBA-ZJUUUORDSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)c1[O-] ZINC000991384504 669449692 /nfs/dbraw/zinc/44/96/92/669449692.db2.gz DEXKEIQTTLMQOW-HTQZYQBOSA-N -1 0 325.325 -2.009 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)c1[O-] ZINC000991384508 669449646 /nfs/dbraw/zinc/44/96/46/669449646.db2.gz DEXKEIQTTLMQOW-JGVFFNPUSA-N -1 0 325.325 -2.009 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)c1[O-] ZINC000991384510 669449555 /nfs/dbraw/zinc/44/95/55/669449555.db2.gz DEXKEIQTTLMQOW-SFYZADRCSA-N -1 0 325.325 -2.009 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)c1[O-] ZINC000991384512 669449486 /nfs/dbraw/zinc/44/94/86/669449486.db2.gz DEXKEIQTTLMQOW-YUMQZZPRSA-N -1 0 325.325 -2.009 20 0 EAADRM Cn1cnc(C(=O)N[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)c1 ZINC000991385604 669450058 /nfs/dbraw/zinc/45/00/58/669450058.db2.gz KJXHOPZOGYMJOL-CMPLNLGQSA-N -1 0 346.347 -1.079 20 0 EAADRM Cn1cnc(C(=O)N[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C[C@@H]2O)c1 ZINC000991385606 669450025 /nfs/dbraw/zinc/45/00/25/669450025.db2.gz KJXHOPZOGYMJOL-JQWIXIFHSA-N -1 0 346.347 -1.079 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C[C@@H]2O)c1 ZINC000991385608 669450449 /nfs/dbraw/zinc/45/04/49/669450449.db2.gz KJXHOPZOGYMJOL-PWSUYJOCSA-N -1 0 346.347 -1.079 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)c1 ZINC000991385612 669449988 /nfs/dbraw/zinc/44/99/88/669449988.db2.gz KJXHOPZOGYMJOL-ZYHUDNBSSA-N -1 0 346.347 -1.079 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@@H]2O)c1[O-] ZINC000991385877 669450118 /nfs/dbraw/zinc/45/01/18/669450118.db2.gz GNTXBWQINJSBNM-BDAKNGLRSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@H]2O)c1[O-] ZINC000991385880 669450508 /nfs/dbraw/zinc/45/05/08/669450508.db2.gz GNTXBWQINJSBNM-DTWKUNHWSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@@H]2O)c1[O-] ZINC000991385883 669450494 /nfs/dbraw/zinc/45/04/94/669450494.db2.gz GNTXBWQINJSBNM-IUCAKERBSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@H]2O)c1[O-] ZINC000991385886 669450085 /nfs/dbraw/zinc/45/00/85/669450085.db2.gz GNTXBWQINJSBNM-RKDXNWHRSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]2O)c1[O-] ZINC000991386205 669450076 /nfs/dbraw/zinc/45/00/76/669450076.db2.gz HEBXLVWTHJETTB-PSASIEDQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC000991386208 669450092 /nfs/dbraw/zinc/45/00/92/669450092.db2.gz HEBXLVWTHJETTB-SCZZXKLOSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]2O)c1[O-] ZINC000991386211 669450306 /nfs/dbraw/zinc/45/03/06/669450306.db2.gz HEBXLVWTHJETTB-WCBMZHEXSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC000991386215 669450051 /nfs/dbraw/zinc/45/00/51/669450051.db2.gz HEBXLVWTHJETTB-WPRPVWTQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000991388760 669451192 /nfs/dbraw/zinc/45/11/92/669451192.db2.gz IJZGRDAGWSPXIP-UHFFFAOYSA-N -1 0 347.335 -1.194 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]2O)c1[O-] ZINC000991389912 669452018 /nfs/dbraw/zinc/45/20/18/669452018.db2.gz NRVQJUAWHUYEFX-APPZFPTMSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]2O)c1[O-] ZINC000991389919 669451710 /nfs/dbraw/zinc/45/17/10/669451710.db2.gz NRVQJUAWHUYEFX-CBAPKCEASA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]2O)c1[O-] ZINC000991389924 669451848 /nfs/dbraw/zinc/45/18/48/669451848.db2.gz NRVQJUAWHUYEFX-IONNQARKSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]2O)c1[O-] ZINC000991389925 669451573 /nfs/dbraw/zinc/45/15/73/669451573.db2.gz NRVQJUAWHUYEFX-VXNVDRBHSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)c1[O-] ZINC000991390578 669452364 /nfs/dbraw/zinc/45/23/64/669452364.db2.gz NYVLAMOEMPWZFA-HTQZYQBOSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)c1[O-] ZINC000991390581 669452464 /nfs/dbraw/zinc/45/24/64/669452464.db2.gz NYVLAMOEMPWZFA-JGVFFNPUSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]2O)c1[O-] ZINC000991390583 669452562 /nfs/dbraw/zinc/45/25/62/669452562.db2.gz NYVLAMOEMPWZFA-SFYZADRCSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]2O)c1[O-] ZINC000991390586 669452469 /nfs/dbraw/zinc/45/24/69/669452469.db2.gz NYVLAMOEMPWZFA-YUMQZZPRSA-N -1 0 335.324 -1.453 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnnn3C)C[C@H]2O)c1[O-] ZINC000991390588 669452443 /nfs/dbraw/zinc/45/24/43/669452443.db2.gz NZQKUKZZLURKDJ-PSASIEDQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]2O)c1[O-] ZINC000991390591 669452654 /nfs/dbraw/zinc/45/26/54/669452654.db2.gz NZQKUKZZLURKDJ-SCZZXKLOSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]2O)c1[O-] ZINC000991390593 669452531 /nfs/dbraw/zinc/45/25/31/669452531.db2.gz NZQKUKZZLURKDJ-WCBMZHEXSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnnn3C)C[C@@H]2O)c1[O-] ZINC000991390595 669452500 /nfs/dbraw/zinc/45/25/00/669452500.db2.gz NZQKUKZZLURKDJ-WPRPVWTQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]2O)c1[O-] ZINC000991390790 669452651 /nfs/dbraw/zinc/45/26/51/669452651.db2.gz OUVBWIQSETXALA-PSASIEDQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)nn3)C[C@@H]2O)c1[O-] ZINC000991390791 669452540 /nfs/dbraw/zinc/45/25/40/669452540.db2.gz OUVBWIQSETXALA-SCZZXKLOSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]2O)c1[O-] ZINC000991390797 669452486 /nfs/dbraw/zinc/45/24/86/669452486.db2.gz OUVBWIQSETXALA-WCBMZHEXSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@@H]2O)c1[O-] ZINC000991390800 669452579 /nfs/dbraw/zinc/45/25/79/669452579.db2.gz OUVBWIQSETXALA-WPRPVWTQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C)c1CC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000991394165 669453309 /nfs/dbraw/zinc/45/33/09/669453309.db2.gz QXYPJSBDSHJKNB-UHFFFAOYSA-N -1 0 349.351 -1.401 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]nc3C)C[C@@H]2O)c1[O-] ZINC000991396404 669454369 /nfs/dbraw/zinc/45/43/69/669454369.db2.gz VOHDCQMODWBVJV-BDAKNGLRSA-N -1 0 349.351 -1.144 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3n[nH]nc3C)C[C@H]2O)c1[O-] ZINC000991396410 669454266 /nfs/dbraw/zinc/45/42/66/669454266.db2.gz VOHDCQMODWBVJV-DTWKUNHWSA-N -1 0 349.351 -1.144 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3n[nH]nc3C)C[C@@H]2O)c1[O-] ZINC000991396416 669454383 /nfs/dbraw/zinc/45/43/83/669454383.db2.gz VOHDCQMODWBVJV-IUCAKERBSA-N -1 0 349.351 -1.144 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]nc3C)C[C@H]2O)c1[O-] ZINC000991396426 669454506 /nfs/dbraw/zinc/45/45/06/669454506.db2.gz VOHDCQMODWBVJV-RKDXNWHRSA-N -1 0 349.351 -1.144 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]2O)c1[O-] ZINC000991397775 669455641 /nfs/dbraw/zinc/45/56/41/669455641.db2.gz XUVBLHWPPOWDSA-APPZFPTMSA-N -1 0 336.308 -1.188 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C[C@@H]2O)c1[O-] ZINC000991397785 669455633 /nfs/dbraw/zinc/45/56/33/669455633.db2.gz XUVBLHWPPOWDSA-CBAPKCEASA-N -1 0 336.308 -1.188 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C[C@H]2O)c1[O-] ZINC000991397796 669455597 /nfs/dbraw/zinc/45/55/97/669455597.db2.gz XUVBLHWPPOWDSA-IONNQARKSA-N -1 0 336.308 -1.188 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C[C@H]2O)c1[O-] ZINC000991397806 669455679 /nfs/dbraw/zinc/45/56/79/669455679.db2.gz XUVBLHWPPOWDSA-VXNVDRBHSA-N -1 0 336.308 -1.188 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]2O)c1[O-] ZINC000991398480 669455436 /nfs/dbraw/zinc/45/54/36/669455436.db2.gz YOGYOUGPCITGFG-BDAKNGLRSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]2O)c1[O-] ZINC000991398482 669455601 /nfs/dbraw/zinc/45/56/01/669455601.db2.gz YOGYOUGPCITGFG-DTWKUNHWSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]2O)c1[O-] ZINC000991398484 669455644 /nfs/dbraw/zinc/45/56/44/669455644.db2.gz YOGYOUGPCITGFG-IUCAKERBSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]2O)c1[O-] ZINC000991398489 669455684 /nfs/dbraw/zinc/45/56/84/669455684.db2.gz YOGYOUGPCITGFG-RKDXNWHRSA-N -1 0 349.351 -1.442 20 0 EAADRM CCn1ccc(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC000991427444 669468538 /nfs/dbraw/zinc/46/85/38/669468538.db2.gz HIXANNMQENPWGR-UHFFFAOYSA-N -1 0 333.308 -1.246 20 0 EAADRM CCn1ccc(C(=O)NC2CN(C(=O)c3cnc([O-])n(C)c3=O)C2)n1 ZINC000991434057 669473684 /nfs/dbraw/zinc/47/36/84/669473684.db2.gz MSEUHHVHFIKALC-UHFFFAOYSA-N -1 0 346.347 -1.043 20 0 EAADRM CCn1ccc(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC000991435558 669474817 /nfs/dbraw/zinc/47/48/17/669474817.db2.gz VBGUVFKJBHRQDT-UHFFFAOYSA-N -1 0 335.324 -1.454 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)c1[O-] ZINC000991435954 669473978 /nfs/dbraw/zinc/47/39/78/669473978.db2.gz TZQBZOUZSNLHDK-PSASIEDQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)c1[O-] ZINC000991435958 669474317 /nfs/dbraw/zinc/47/43/17/669474317.db2.gz TZQBZOUZSNLHDK-SCZZXKLOSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)c1[O-] ZINC000991435961 669474273 /nfs/dbraw/zinc/47/42/73/669474273.db2.gz TZQBZOUZSNLHDK-WCBMZHEXSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)c1[O-] ZINC000991435964 669474168 /nfs/dbraw/zinc/47/41/68/669474168.db2.gz TZQBZOUZSNLHDK-WPRPVWTQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnnn3C)[C@H](O)C2)c1[O-] ZINC000991438707 669476411 /nfs/dbraw/zinc/47/64/11/669476411.db2.gz JPKPVYSTWIQPJE-PSASIEDQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)c1[O-] ZINC000991438708 669476725 /nfs/dbraw/zinc/47/67/25/669476725.db2.gz JPKPVYSTWIQPJE-SCZZXKLOSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnnn3C)[C@H](O)C2)c1[O-] ZINC000991438709 669476583 /nfs/dbraw/zinc/47/65/83/669476583.db2.gz JPKPVYSTWIQPJE-WCBMZHEXSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3cnnn3C)[C@@H](O)C2)c1[O-] ZINC000991438711 669476444 /nfs/dbraw/zinc/47/64/44/669476444.db2.gz JPKPVYSTWIQPJE-WPRPVWTQSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)c1[O-] ZINC000991443387 669479297 /nfs/dbraw/zinc/47/92/97/669479297.db2.gz ICTREDRTSUBGPG-BDAKNGLRSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ncn(C)n3)[C@H](O)C2)c1[O-] ZINC000991443388 669479222 /nfs/dbraw/zinc/47/92/22/669479222.db2.gz ICTREDRTSUBGPG-DTWKUNHWSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)c1[O-] ZINC000991443390 669479376 /nfs/dbraw/zinc/47/93/76/669479376.db2.gz ICTREDRTSUBGPG-IUCAKERBSA-N -1 0 349.351 -1.442 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3ncn(C)n3)[C@H](O)C2)c1[O-] ZINC000991443392 669479349 /nfs/dbraw/zinc/47/93/49/669479349.db2.gz ICTREDRTSUBGPG-RKDXNWHRSA-N -1 0 349.351 -1.442 20 0 EAADRM COc1cncc(C(=O)NC2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC000991457995 669492354 /nfs/dbraw/zinc/49/23/54/669492354.db2.gz FIQQNUSHQZPIMC-UHFFFAOYSA-N -1 0 347.291 -1.664 20 0 EAADRM COc1cncc(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC000991458846 669493820 /nfs/dbraw/zinc/49/38/20/669493820.db2.gz LSDGHJBVHBJBKM-UHFFFAOYSA-N -1 0 349.307 -1.871 20 0 EAADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1ncc[nH]1 ZINC000991459831 669493876 /nfs/dbraw/zinc/49/38/76/669493876.db2.gz LWSURFXWZRHNMC-BQBZGAKWSA-N -1 0 349.307 -1.989 20 0 EAADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1ncc[nH]1 ZINC000991459832 669493814 /nfs/dbraw/zinc/49/38/14/669493814.db2.gz LWSURFXWZRHNMC-NKWVEPMBSA-N -1 0 349.307 -1.989 20 0 EAADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1ncc[nH]1 ZINC000991459837 669493867 /nfs/dbraw/zinc/49/38/67/669493867.db2.gz LWSURFXWZRHNMC-RNFRBKRXSA-N -1 0 349.307 -1.989 20 0 EAADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1ncc[nH]1 ZINC000991459838 669493900 /nfs/dbraw/zinc/49/39/00/669493900.db2.gz LWSURFXWZRHNMC-RQJHMYQMSA-N -1 0 349.307 -1.989 20 0 EAADRM COCCn1cc(C(=O)NC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)nn1 ZINC000991470600 669500351 /nfs/dbraw/zinc/50/03/51/669500351.db2.gz CBZNTJBDAYZFQW-UHFFFAOYSA-N -1 0 349.351 -1.084 20 0 EAADRM COCC(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1 ZINC000991484568 669505355 /nfs/dbraw/zinc/50/53/55/669505355.db2.gz GRCLHFZLHLZTLJ-GHMZBOCLSA-N -1 0 349.347 -1.639 20 0 EAADRM COCC(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000991484571 669505552 /nfs/dbraw/zinc/50/55/52/669505552.db2.gz GRCLHFZLHLZTLJ-MNOVXSKESA-N -1 0 349.347 -1.639 20 0 EAADRM COCC(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000991484572 669505481 /nfs/dbraw/zinc/50/54/81/669505481.db2.gz GRCLHFZLHLZTLJ-QWRGUYRKSA-N -1 0 349.347 -1.639 20 0 EAADRM COCC(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1 ZINC000991484575 669505688 /nfs/dbraw/zinc/50/56/88/669505688.db2.gz GRCLHFZLHLZTLJ-WDEREUQCSA-N -1 0 349.347 -1.639 20 0 EAADRM NC(=O)C(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000991488644 669507860 /nfs/dbraw/zinc/50/78/60/669507860.db2.gz KZXIJEXMJCPAGR-BDAKNGLRSA-N -1 0 348.319 -2.801 20 0 EAADRM NC(=O)C(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1 ZINC000991488656 669508143 /nfs/dbraw/zinc/50/81/43/669508143.db2.gz KZXIJEXMJCPAGR-DTWKUNHWSA-N -1 0 348.319 -2.801 20 0 EAADRM NC(=O)C(=O)N1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC000991488668 669508126 /nfs/dbraw/zinc/50/81/26/669508126.db2.gz KZXIJEXMJCPAGR-IUCAKERBSA-N -1 0 348.319 -2.801 20 0 EAADRM NC(=O)C(=O)N1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H](O)C1 ZINC000991488679 669507896 /nfs/dbraw/zinc/50/78/96/669507896.db2.gz KZXIJEXMJCPAGR-RKDXNWHRSA-N -1 0 348.319 -2.801 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)[C@H](O)C2)c1[O-] ZINC000991512550 669530297 /nfs/dbraw/zinc/53/02/97/669530297.db2.gz SKFPAKCHMHEPTA-NXEZZACHSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)[C@@H](O)C2)c1[O-] ZINC000991512553 669530113 /nfs/dbraw/zinc/53/01/13/669530113.db2.gz SKFPAKCHMHEPTA-UWVGGRQHSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)[C@H](O)C2)c1[O-] ZINC000991512555 669530249 /nfs/dbraw/zinc/53/02/49/669530249.db2.gz SKFPAKCHMHEPTA-VHSXEESVSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)c1[O-] ZINC000991512557 669530139 /nfs/dbraw/zinc/53/01/39/669530139.db2.gz SKFPAKCHMHEPTA-ZJUUUORDSA-N -1 0 349.351 -1.593 20 0 EAADRM CC1(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)CC1 ZINC000991515973 669532237 /nfs/dbraw/zinc/53/22/37/669532237.db2.gz NTDHBUFIKYJQED-HTQZYQBOSA-N -1 0 337.336 -1.226 20 0 EAADRM CC1(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)CC1 ZINC000991515974 669532208 /nfs/dbraw/zinc/53/22/08/669532208.db2.gz NTDHBUFIKYJQED-JGVFFNPUSA-N -1 0 337.336 -1.226 20 0 EAADRM CC1(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)CC1 ZINC000991515976 669532136 /nfs/dbraw/zinc/53/21/36/669532136.db2.gz NTDHBUFIKYJQED-SFYZADRCSA-N -1 0 337.336 -1.226 20 0 EAADRM CC1(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2O)CC1 ZINC000991515979 669532160 /nfs/dbraw/zinc/53/21/60/669532160.db2.gz NTDHBUFIKYJQED-YUMQZZPRSA-N -1 0 337.336 -1.226 20 0 EAADRM CC1(C(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2O)CC1 ZINC000991524084 669533477 /nfs/dbraw/zinc/53/34/77/669533477.db2.gz MHOHPRISRCCHSE-BDAKNGLRSA-N -1 0 339.352 -1.433 20 0 EAADRM CC1(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2O)CC1 ZINC000991524087 669533512 /nfs/dbraw/zinc/53/35/12/669533512.db2.gz MHOHPRISRCCHSE-DTWKUNHWSA-N -1 0 339.352 -1.433 20 0 EAADRM CC1(C(=O)N[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2O)CC1 ZINC000991524092 669533563 /nfs/dbraw/zinc/53/35/63/669533563.db2.gz MHOHPRISRCCHSE-IUCAKERBSA-N -1 0 339.352 -1.433 20 0 EAADRM CC1(C(=O)N[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2O)CC1 ZINC000991524098 669533394 /nfs/dbraw/zinc/53/33/94/669533394.db2.gz MHOHPRISRCCHSE-RKDXNWHRSA-N -1 0 339.352 -1.433 20 0 EAADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1cc[nH]c1 ZINC000991525028 669534620 /nfs/dbraw/zinc/53/46/20/669534620.db2.gz BHELAXGEBSVHQQ-BDAKNGLRSA-N -1 0 348.319 -1.384 20 0 EAADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1cc[nH]c1 ZINC000991525031 669534935 /nfs/dbraw/zinc/53/49/35/669534935.db2.gz BHELAXGEBSVHQQ-DTWKUNHWSA-N -1 0 348.319 -1.384 20 0 EAADRM O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1cc[nH]c1 ZINC000991525032 669534814 /nfs/dbraw/zinc/53/48/14/669534814.db2.gz BHELAXGEBSVHQQ-IUCAKERBSA-N -1 0 348.319 -1.384 20 0 EAADRM O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1cc[nH]c1 ZINC000991525034 669534645 /nfs/dbraw/zinc/53/46/45/669534645.db2.gz BHELAXGEBSVHQQ-RKDXNWHRSA-N -1 0 348.319 -1.384 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)c1[O-] ZINC000991552497 669544238 /nfs/dbraw/zinc/54/42/38/669544238.db2.gz GPRQYKQYVCVKLX-ZETCQYMHSA-N -1 0 336.308 -2.038 20 0 EAADRM Cc1ccnn1CC(=O)NC1CN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000991573695 669562217 /nfs/dbraw/zinc/56/22/17/669562217.db2.gz HZTSTGMQSZFQLX-UHFFFAOYSA-N -1 0 346.347 -1.368 20 0 EAADRM O=C(CCc1cncnc1)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000991587728 669574174 /nfs/dbraw/zinc/57/41/74/669574174.db2.gz MLRUZICERIMEAG-AAEUAGOBSA-N -1 0 345.363 -1.081 20 0 EAADRM O=C(CCc1cncnc1)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000991587730 669574500 /nfs/dbraw/zinc/57/45/00/669574500.db2.gz MLRUZICERIMEAG-DGCLKSJQSA-N -1 0 345.363 -1.081 20 0 EAADRM O=C(CCc1cncnc1)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000991587731 669574154 /nfs/dbraw/zinc/57/41/54/669574154.db2.gz MLRUZICERIMEAG-WCQYABFASA-N -1 0 345.363 -1.081 20 0 EAADRM O=C(CCc1cncnc1)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000991587733 669574564 /nfs/dbraw/zinc/57/45/64/669574564.db2.gz MLRUZICERIMEAG-YPMHNXCESA-N -1 0 345.363 -1.081 20 0 EAADRM O=C(CCc1ccncn1)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000991587803 669574267 /nfs/dbraw/zinc/57/42/67/669574267.db2.gz 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672677262 /nfs/dbraw/zinc/67/72/62/672677262.db2.gz DWHGHENBIUMZOA-BQBZGAKWSA-N -1 0 326.313 -2.330 20 0 EAADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC(N)=O ZINC001011584841 672677223 /nfs/dbraw/zinc/67/72/23/672677223.db2.gz DWHGHENBIUMZOA-NKWVEPMBSA-N -1 0 326.313 -2.330 20 0 EAADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)CC(N)=O ZINC001011584843 672677155 /nfs/dbraw/zinc/67/71/55/672677155.db2.gz DWHGHENBIUMZOA-RNFRBKRXSA-N -1 0 326.313 -2.330 20 0 EAADRM C[C@@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1C(=O)CC(N)=O ZINC001011587172 672677560 /nfs/dbraw/zinc/67/75/60/672677560.db2.gz ZFRXCNCSVYZPOJ-PSASIEDQSA-N -1 0 346.347 -1.383 20 0 EAADRM C[C@H]1[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1C(=O)CC(N)=O ZINC001011587173 672677425 /nfs/dbraw/zinc/67/74/25/672677425.db2.gz ZFRXCNCSVYZPOJ-WCBMZHEXSA-N -1 0 346.347 -1.383 20 0 EAADRM C[C@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1C(=O)CC(N)=O ZINC001011587174 672677575 /nfs/dbraw/zinc/67/75/75/672677575.db2.gz ZFRXCNCSVYZPOJ-WPRPVWTQSA-N -1 0 346.347 -1.383 20 0 EAADRM C[C@H]1[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)CC(N)=O ZINC001011590965 672677503 /nfs/dbraw/zinc/67/75/03/672677503.db2.gz IVADCIWCLPGARI-CBAPKCEASA-N -1 0 337.336 -1.920 20 0 EAADRM C[C@H]1[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)CC(N)=O ZINC001011590973 672677678 /nfs/dbraw/zinc/67/76/78/672677678.db2.gz IVADCIWCLPGARI-IONNQARKSA-N -1 0 337.336 -1.920 20 0 EAADRM C[C@@H]1[C@H](NC(=O)c2cnc([O-])n(C)c2=O)CCN1C(=O)CC(N)=O ZINC001011590977 672677629 /nfs/dbraw/zinc/67/76/29/672677629.db2.gz IVADCIWCLPGARI-VXNVDRBHSA-N -1 0 337.336 -1.920 20 0 EAADRM C[C@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)Cc1cc[nH]n1 ZINC001011596102 672678115 /nfs/dbraw/zinc/67/81/15/672678115.db2.gz AGPQIKHIISBJTG-CBAPKCEASA-N -1 0 347.335 -1.032 20 0 EAADRM C[C@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)Cc1cc[nH]n1 ZINC001011596103 672678034 /nfs/dbraw/zinc/67/80/34/672678034.db2.gz AGPQIKHIISBJTG-IONNQARKSA-N -1 0 347.335 -1.032 20 0 EAADRM 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ZINC001011646063 672680012 /nfs/dbraw/zinc/68/00/12/672680012.db2.gz KABVMAUEOQDFGY-UHFFFAOYSA-N -1 0 349.351 -1.664 20 0 EAADRM C[C@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cn(C)cn1 ZINC001011654781 672680254 /nfs/dbraw/zinc/68/02/54/672680254.db2.gz FGMMBBNSTODYCB-DTWKUNHWSA-N -1 0 349.351 -1.158 20 0 EAADRM C[C@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cn(C)cn1 ZINC001011654783 672680136 /nfs/dbraw/zinc/68/01/36/672680136.db2.gz FGMMBBNSTODYCB-IUCAKERBSA-N -1 0 349.351 -1.158 20 0 EAADRM C[C@@H]1[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)c1cn(C)cn1 ZINC001011654785 672680276 /nfs/dbraw/zinc/68/02/76/672680276.db2.gz FGMMBBNSTODYCB-RKDXNWHRSA-N -1 0 349.351 -1.158 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H]2C)c1[O-] ZINC001011659551 672680205 /nfs/dbraw/zinc/68/02/05/672680205.db2.gz HVTCNOYPMZLDGE-DTWKUNHWSA-N -1 0 334.340 -1.170 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)[C@@H]2C)c1[O-] ZINC001011659552 672680274 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O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)C1CS(=O)(=O)C1 ZINC001023390130 668498164 /nfs/dbraw/zinc/49/81/64/668498164.db2.gz CWGSHZQRLITRLB-VIFPVBQESA-N -1 0 343.409 -1.117 20 0 EAADRM Cn1ccc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)c1 ZINC001023391945 668498643 /nfs/dbraw/zinc/49/86/43/668498643.db2.gz QXBRZBDNMUAMCO-RKDXNWHRSA-N -1 0 348.319 -1.763 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C2)c1[O-] ZINC001023398600 668498962 /nfs/dbraw/zinc/49/89/62/668498962.db2.gz PVSFPZLKEPWKFE-PSASIEDQSA-N -1 0 334.336 -1.227 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)c1 ZINC001023398862 668498943 /nfs/dbraw/zinc/49/89/43/668498943.db2.gz UEVBQZDVRQHYJI-HTRCEHHLSA-N -1 0 349.307 -2.368 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2O)c1[O-] ZINC001023411411 668501351 /nfs/dbraw/zinc/50/13/51/668501351.db2.gz ATRXCVALSSCVTL-PSASIEDQSA-N -1 0 334.336 -1.227 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cnn(C)c3)C[C@H]2O)c1[O-] ZINC001023411446 668501374 /nfs/dbraw/zinc/50/13/74/668501374.db2.gz BDFWJQDBDJSDMA-GHMZBOCLSA-N -1 0 348.363 -1.299 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnns3)C[C@H]2O)c1[O-] ZINC001023411450 668501330 /nfs/dbraw/zinc/50/13/30/668501330.db2.gz BKMZFODANLIOSF-RNFRBKRXSA-N -1 0 338.349 -1.109 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2O)c1[O-] ZINC001023411460 668501358 /nfs/dbraw/zinc/50/13/58/668501358.db2.gz BRALROPIEPHOJM-IWSPIJDZSA-N -1 0 337.336 -1.996 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2O)c1[O-] ZINC001023411470 668501871 /nfs/dbraw/zinc/50/18/71/668501871.db2.gz BYENNNFUMWQJMX-HTQZYQBOSA-N -1 0 336.312 -2.588 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2O)c1[O-] ZINC001023411597 668501622 /nfs/dbraw/zinc/50/16/22/668501622.db2.gz FIBFSPHIJSPEAT-BBBLOLIVSA-N -1 0 340.336 -1.859 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2O)c1[O-] ZINC001023411598 668501707 /nfs/dbraw/zinc/50/17/07/668501707.db2.gz FIBFSPHIJSPEAT-OPRDCNLKSA-N -1 0 340.336 -1.859 20 0 EAADRM Cc1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c1 ZINC001023411869 668501768 /nfs/dbraw/zinc/50/17/68/668501768.db2.gz JFPWOPJVPGDMEB-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2O)c1[O-] ZINC001023411893 668501605 /nfs/dbraw/zinc/50/16/05/668501605.db2.gz JZPMLGRKMTVUNM-NXEZZACHSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC001023411982 668501588 /nfs/dbraw/zinc/50/15/88/668501588.db2.gz LFXGCOQIGMWQDN-HTQZYQBOSA-N -1 0 346.365 -2.230 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnsn3)C[C@H]2O)c1[O-] ZINC001023412080 668501818 /nfs/dbraw/zinc/50/18/18/668501818.db2.gz MZDSIQUJWPQCIS-HTQZYQBOSA-N -1 0 338.349 -1.109 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2O)c1[O-] ZINC001023412113 668501649 /nfs/dbraw/zinc/50/16/49/668501649.db2.gz ODKLQWLBEMDKRY-GHMZBOCLSA-N -1 0 347.331 -1.328 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2O)c1[O-] ZINC001023412362 668501815 /nfs/dbraw/zinc/50/18/15/668501815.db2.gz RSRMOHBJKSRYBZ-RKDXNWHRSA-N -1 0 348.319 -1.465 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)c1[O-] ZINC001023412404 668501678 /nfs/dbraw/zinc/50/16/78/668501678.db2.gz UBLORDGETUJXQI-NXEZZACHSA-N -1 0 334.336 -1.378 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2O)c1[O-] ZINC001023412441 668501669 /nfs/dbraw/zinc/50/16/69/668501669.db2.gz VPCYMHKCJXMIKQ-NXEZZACHSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2O)c1[O-] ZINC001023412595 668501884 /nfs/dbraw/zinc/50/18/84/668501884.db2.gz XSFGMRFIDAMURF-NXEZZACHSA-N -1 0 334.336 -1.227 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)c1[O-] ZINC001023412596 668501742 /nfs/dbraw/zinc/50/17/42/668501742.db2.gz XTRNIEVHCFXKOK-RKDXNWHRSA-N -1 0 338.320 -1.387 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2O)c1[O-] ZINC001023412991 668501774 /nfs/dbraw/zinc/50/17/74/668501774.db2.gz BQSRFTIIJMQBDS-NXEZZACHSA-N -1 0 334.336 -1.309 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2O)c1[O-] ZINC001023412992 668501736 /nfs/dbraw/zinc/50/17/36/668501736.db2.gz BRALROPIEPHOJM-DJLDLDEBSA-N -1 0 337.336 -1.996 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2O)c1[O-] ZINC001023412994 668501863 /nfs/dbraw/zinc/50/18/63/668501863.db2.gz BUYPEAIUWNGHTM-GHMZBOCLSA-N -1 0 348.363 -1.299 20 0 EAADRM Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC001023413053 668501900 /nfs/dbraw/zinc/50/19/00/668501900.db2.gz CZJLUJLFENATPA-RKDXNWHRSA-N -1 0 349.351 -1.606 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2O)c1[O-] ZINC001023413169 668501906 /nfs/dbraw/zinc/50/19/06/668501906.db2.gz DRAYVXMXMXNTGN-RKDXNWHRSA-N -1 0 335.324 -1.832 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2O)c1[O-] ZINC001023413171 668501746 /nfs/dbraw/zinc/50/17/46/668501746.db2.gz DREKQRKSVFRMAK-HTQZYQBOSA-N -1 0 335.324 -1.832 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2O)c1[O-] ZINC001023413207 668501614 /nfs/dbraw/zinc/50/16/14/668501614.db2.gz FFVGRGQBKRLFFR-PSASIEDQSA-N -1 0 334.336 -1.227 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2O)c1[O-] ZINC001023413212 668501846 /nfs/dbraw/zinc/50/18/46/668501846.db2.gz FLGKAGNUJWELEF-BWZBUEFSSA-N -1 0 339.308 -2.166 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2O)c1[O-] ZINC001023413213 668501632 /nfs/dbraw/zinc/50/16/32/668501632.db2.gz FLGKAGNUJWELEF-GJMOJQLCSA-N -1 0 339.308 -2.166 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2O)c1[O-] ZINC001023413216 668501823 /nfs/dbraw/zinc/50/18/23/668501823.db2.gz FMDMFNGZVHWJJJ-HTQZYQBOSA-N -1 0 347.335 -1.589 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2O)c1[O-] ZINC001023413229 668501680 /nfs/dbraw/zinc/50/16/80/668501680.db2.gz FOCSORFEMORPQW-NXEZZACHSA-N -1 0 349.351 -1.593 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3ccn(C)n3)C[C@H]2O)c1[O-] ZINC001023413241 668501798 /nfs/dbraw/zinc/50/17/98/668501798.db2.gz FSJVBJVCJBAVMN-GHMZBOCLSA-N -1 0 348.363 -1.299 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nnn(C)c3C)C[C@H]2O)c1[O-] ZINC001023413457 668501888 /nfs/dbraw/zinc/50/18/88/668501888.db2.gz JYWOMIYMVBXTAK-RKDXNWHRSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2O)c1[O-] ZINC001023413507 668501697 /nfs/dbraw/zinc/50/16/97/668501697.db2.gz LRJHILLMZRYMFN-RKDXNWHRSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2O)c1[O-] ZINC001023413531 668501841 /nfs/dbraw/zinc/50/18/41/668501841.db2.gz MODAQBLTYSLTOP-NXEZZACHSA-N -1 0 335.320 -1.044 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)n3cncn3)C[C@H]2O)c1[O-] ZINC001023413569 668501688 /nfs/dbraw/zinc/50/16/88/668501688.db2.gz NKHXFINBKBKIFU-IVZWLZJFSA-N -1 0 349.351 -1.422 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)n3cncn3)C[C@H]2O)c1[O-] ZINC001023413570 668501839 /nfs/dbraw/zinc/50/18/39/668501839.db2.gz NKHXFINBKBKIFU-OPRDCNLKSA-N -1 0 349.351 -1.422 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2O)c1[O-] ZINC001023413582 668501810 /nfs/dbraw/zinc/50/18/10/668501810.db2.gz OAMFTOPETGQFFS-VXNVDRBHSA-N -1 0 335.324 -1.832 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2O)c1[O-] ZINC001023413600 668501628 /nfs/dbraw/zinc/50/16/28/668501628.db2.gz OREVJEBLFMGBAN-RKDXNWHRSA-N -1 0 349.351 -1.645 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3ccnn3C)C[C@H]2O)c1[O-] ZINC001023413656 668501279 /nfs/dbraw/zinc/50/12/79/668501279.db2.gz PRDXRYZVTWCKOC-GHMZBOCLSA-N -1 0 348.363 -1.299 20 0 EAADRM CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001023413756 668501408 /nfs/dbraw/zinc/50/14/08/668501408.db2.gz QQYWOKZWBOCWBE-NXEZZACHSA-N -1 0 349.351 -1.350 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@H]2O)c1[O-] ZINC001023413789 668501833 /nfs/dbraw/zinc/50/18/33/668501833.db2.gz RVQZNRGMKCQZMX-FXPVBKGRSA-N -1 0 326.353 -1.258 20 0 EAADRM CCn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023413811 668501694 /nfs/dbraw/zinc/50/16/94/668501694.db2.gz SOBVTJZBPMJHGE-PSASIEDQSA-N -1 0 349.351 -1.350 20 0 EAADRM Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]n1 ZINC001023413973 668502144 /nfs/dbraw/zinc/50/21/44/668502144.db2.gz VZZPDCZQIVUOKU-GHMZBOCLSA-N -1 0 348.363 -1.001 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2O)c1[O-] ZINC001023413989 668502178 /nfs/dbraw/zinc/50/21/78/668502178.db2.gz WSBCEMWYONVAAT-NXEZZACHSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cncnc3)C[C@H]2O)c1[O-] ZINC001023414002 668502151 /nfs/dbraw/zinc/50/21/51/668502151.db2.gz XKTWQJRJWFEIIG-GHMZBOCLSA-N -1 0 346.347 -1.242 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2O)c1[O-] ZINC001023414023 668502238 /nfs/dbraw/zinc/50/22/38/668502238.db2.gz YCWRMLMEADTLPW-VXNVDRBHSA-N -1 0 335.324 -1.832 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2O)c1[O-] ZINC001023414052 668502292 /nfs/dbraw/zinc/50/22/92/668502292.db2.gz YUFJWEUTHDBWJP-RKDXNWHRSA-N -1 0 326.353 -1.114 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2O)c1[O-] ZINC001023415450 668502215 /nfs/dbraw/zinc/50/22/15/668502215.db2.gz CQFWFXGDUBECAS-HTQZYQBOSA-N -1 0 335.324 -1.914 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncccn3)C[C@H]2O)c1[O-] ZINC001023415708 668502117 /nfs/dbraw/zinc/50/21/17/668502117.db2.gz GNJZSYJIJBGUTN-RKDXNWHRSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2O)c1[O-] ZINC001023416963 668502281 /nfs/dbraw/zinc/50/22/81/668502281.db2.gz KBPFONXKIZEGTO-RKDXNWHRSA-N -1 0 348.319 -1.878 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2O)c1[O-] ZINC001023417064 668502221 /nfs/dbraw/zinc/50/22/21/668502221.db2.gz KPDUFOWVGGYPJE-BWZBUEFSSA-N -1 0 338.324 -2.593 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2O)c1[O-] ZINC001023417066 668502122 /nfs/dbraw/zinc/50/21/22/668502122.db2.gz KPDUFOWVGGYPJE-XLPZGREQSA-N -1 0 338.324 -2.593 20 0 EAADRM CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)nn1 ZINC001023417131 668502224 /nfs/dbraw/zinc/50/22/24/668502224.db2.gz MCCNQFLHPRKTTR-PSASIEDQSA-N -1 0 349.351 -1.350 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2O)c1[O-] ZINC001023417325 668502301 /nfs/dbraw/zinc/50/23/01/668502301.db2.gz NMAIXAJJOXTVCV-HTQZYQBOSA-N -1 0 336.312 -2.588 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)c1[O-] ZINC001023417590 668502308 /nfs/dbraw/zinc/50/23/08/668502308.db2.gz SGADEPKWQIKMRQ-RKDXNWHRSA-N -1 0 334.336 -1.309 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2O)c1[O-] ZINC001023417636 668502234 /nfs/dbraw/zinc/50/22/34/668502234.db2.gz TUFUMKMXVCSSIY-HTQZYQBOSA-N -1 0 338.299 -1.099 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2O)c1[O-] ZINC001023417682 668502252 /nfs/dbraw/zinc/50/22/52/668502252.db2.gz UIAQAFNGWPKKNO-HTQZYQBOSA-N -1 0 337.336 -2.009 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2O)c1[O-] ZINC001023417691 668502389 /nfs/dbraw/zinc/50/23/89/668502389.db2.gz UITIZDUABCFAIZ-NXEZZACHSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2O)c1[O-] ZINC001023417743 668502156 /nfs/dbraw/zinc/50/21/56/668502156.db2.gz UKODULXZUDXALO-RKDXNWHRSA-N -1 0 335.324 -1.983 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccncn3)C[C@H]2O)c1[O-] ZINC001023417872 668502148 /nfs/dbraw/zinc/50/21/48/668502148.db2.gz WKNXLWRJEJAJPL-NXEZZACHSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023418085 668502205 /nfs/dbraw/zinc/50/22/05/668502205.db2.gz ZSOGNEYNMGXMHO-GHMZBOCLSA-N -1 0 348.363 -1.001 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2O)c1[O-] ZINC001023419754 668502748 /nfs/dbraw/zinc/50/27/48/668502748.db2.gz DEVLPMSGTJASDS-NXEZZACHSA-N -1 0 349.351 -1.524 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2O)c1[O-] ZINC001023419815 668502781 /nfs/dbraw/zinc/50/27/81/668502781.db2.gz FAJYUWDRHCWRNN-RKDXNWHRSA-N -1 0 335.324 -1.983 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2O)c1[O-] ZINC001023419914 668502798 /nfs/dbraw/zinc/50/27/98/668502798.db2.gz GNRMXUJWBLEPBD-PSASIEDQSA-N -1 0 334.336 -1.227 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2O)c1[O-] ZINC001023420061 668502831 /nfs/dbraw/zinc/50/28/31/668502831.db2.gz HCQZUYNVEGSPOZ-NXEZZACHSA-N -1 0 334.336 -1.227 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2O)c1[O-] ZINC001023420067 668502801 /nfs/dbraw/zinc/50/28/01/668502801.db2.gz HEWIDPOPBPLTML-HTQZYQBOSA-N -1 0 339.352 -1.763 20 0 EAADRM Cc1ccnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023420109 668502791 /nfs/dbraw/zinc/50/27/91/668502791.db2.gz HVKHJSVKIQODMY-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2O)c1[O-] ZINC001023420329 668502193 /nfs/dbraw/zinc/50/21/93/668502193.db2.gz KBLUIGQMNRNEQF-RKDXNWHRSA-N -1 0 348.319 -1.465 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2O)c1[O-] ZINC001023420341 668502364 /nfs/dbraw/zinc/50/23/64/668502364.db2.gz KONFKTXASHCHKT-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)c1[O-] ZINC001023420360 668502262 /nfs/dbraw/zinc/50/22/62/668502262.db2.gz KYPZKZZDTZEWJX-NXEZZACHSA-N -1 0 334.336 -1.309 20 0 EAADRM Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001023420499 668502316 /nfs/dbraw/zinc/50/23/16/668502316.db2.gz NENMLFARUBREAG-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2O)c1[O-] ZINC001023420511 668502799 /nfs/dbraw/zinc/50/27/99/668502799.db2.gz NLBILWNIEIUKRL-NXEZZACHSA-N -1 0 332.320 -1.171 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2O)c1[O-] ZINC001023420608 668502774 /nfs/dbraw/zinc/50/27/74/668502774.db2.gz NVBARSAGDDJSDZ-BZNPZCIMSA-N -1 0 337.336 -2.153 20 0 EAADRM Cc1cncn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023420629 668502793 /nfs/dbraw/zinc/50/27/93/668502793.db2.gz OPYGLHHXEVXHAP-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2O)c1[O-] ZINC001023421355 668502766 /nfs/dbraw/zinc/50/27/66/668502766.db2.gz ZJBIXQCAHFJUDO-RKDXNWHRSA-N -1 0 348.319 -1.465 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2O)c1[O-] ZINC001023421911 668502736 /nfs/dbraw/zinc/50/27/36/668502736.db2.gz FTYQLJYTYOVTJF-HTRCEHHLSA-N -1 0 338.349 -1.109 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)c1[O-] ZINC001023421917 668502762 /nfs/dbraw/zinc/50/27/62/668502762.db2.gz FYVAFQGTJDLJQG-NXEZZACHSA-N -1 0 334.336 -1.378 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nonc3C)C[C@H]2O)c1[O-] ZINC001023421954 668502797 /nfs/dbraw/zinc/50/27/97/668502797.db2.gz HNRUNOUXCFZKNF-HTQZYQBOSA-N -1 0 336.308 -1.270 20 0 EAADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023422281 668502792 /nfs/dbraw/zinc/50/27/92/668502792.db2.gz HSFJYRZBKDXWBT-BWZBUEFSSA-N -1 0 337.336 -1.370 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@H]2O)c1[O-] ZINC001023422306 668502704 /nfs/dbraw/zinc/50/27/04/668502704.db2.gz KQZSCSPKAUGLKQ-HTQZYQBOSA-N -1 0 335.324 -1.534 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2O)c1[O-] ZINC001023422323 668502714 /nfs/dbraw/zinc/50/27/14/668502714.db2.gz KWTZWWLZIJWTOR-NUPCCRGMSA-N -1 0 342.327 -1.146 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2O)c1[O-] ZINC001023422326 668503117 /nfs/dbraw/zinc/50/31/17/668503117.db2.gz KWTZWWLZIJWTOR-RFXMVYNHSA-N -1 0 342.327 -1.146 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2O)c1[O-] ZINC001023422373 668503367 /nfs/dbraw/zinc/50/33/67/668503367.db2.gz MEBFTTDHZKWQAP-QGKZMRNZSA-N -1 0 336.348 -1.382 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2O)c1[O-] ZINC001023422941 668503294 /nfs/dbraw/zinc/50/32/94/668503294.db2.gz RQZLNKOOVAUQLZ-FHTCGPRVSA-N -1 0 336.348 -1.238 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2O)c1[O-] ZINC001023423189 668503108 /nfs/dbraw/zinc/50/31/08/668503108.db2.gz URFQQIMLRJGZMA-NXEZZACHSA-N -1 0 335.320 -1.044 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2O)c1[O-] ZINC001023423202 668503131 /nfs/dbraw/zinc/50/31/31/668503131.db2.gz VGQCJBBYLRFAHZ-DJLDLDEBSA-N -1 0 337.336 -2.139 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2O)c1[O-] ZINC001023423203 668503328 /nfs/dbraw/zinc/50/33/28/668503328.db2.gz VGQCJBBYLRFAHZ-IWSPIJDZSA-N -1 0 337.336 -2.139 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2O)c1[O-] ZINC001023423301 668502802 /nfs/dbraw/zinc/50/28/02/668502802.db2.gz YSCOSBAIAKFFJF-RNFRBKRXSA-N -1 0 336.312 -2.437 20 0 EAADRM CC1(C)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023428801 668503656 /nfs/dbraw/zinc/50/36/56/668503656.db2.gz HSFJYRZBKDXWBT-XLPZGREQSA-N -1 0 337.336 -1.370 20 0 EAADRM CC1(C)C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023432628 668503686 /nfs/dbraw/zinc/50/36/86/668503686.db2.gz MPTFCCKEAITRKI-DJLDLDEBSA-N -1 0 339.352 -1.577 20 0 EAADRM CC1(C)C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023432629 668503593 /nfs/dbraw/zinc/50/35/93/668503593.db2.gz MPTFCCKEAITRKI-IWSPIJDZSA-N -1 0 339.352 -1.577 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](C)n3cncn3)C2)c1[O-] ZINC001023456439 668508490 /nfs/dbraw/zinc/50/84/90/668508490.db2.gz JAGHCSIDATWTSN-IVZWLZJFSA-N -1 0 349.351 -1.422 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)n3cncn3)C2)c1[O-] ZINC001023456440 668508443 /nfs/dbraw/zinc/50/84/43/668508443.db2.gz JAGHCSIDATWTSN-OPRDCNLKSA-N -1 0 349.351 -1.422 20 0 EAADRM Cn1nnnc1CN1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001023467794 668511536 /nfs/dbraw/zinc/51/15/36/668511536.db2.gz AFIKATHSBOKZSG-MRVPVSSYSA-N -1 0 349.355 -1.552 20 0 EAADRM Cn1nnnc1CN1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001023467795 668511477 /nfs/dbraw/zinc/51/14/77/668511477.db2.gz AFIKATHSBOKZSG-QMMMGPOBSA-N -1 0 349.355 -1.552 20 0 EAADRM Cn1nnc(CN2CCC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001023468226 668511440 /nfs/dbraw/zinc/51/14/40/668511440.db2.gz MUZFMCJPGXHUIR-MRVPVSSYSA-N -1 0 349.355 -1.552 20 0 EAADRM Cn1nnc(CN2CCC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001023468227 668511361 /nfs/dbraw/zinc/51/13/61/668511361.db2.gz MUZFMCJPGXHUIR-QMMMGPOBSA-N -1 0 349.355 -1.552 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3N)C2)c1[O-] ZINC001023478002 668514154 /nfs/dbraw/zinc/51/41/54/668514154.db2.gz AMQOYFWHZXEMKT-RKDXNWHRSA-N -1 0 349.351 -1.645 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1cncnc1 ZINC001023480758 668515396 /nfs/dbraw/zinc/51/53/96/668515396.db2.gz DVPOBFGTQFKDDB-HTQZYQBOSA-N -1 0 347.291 -2.312 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001023481061 668515796 /nfs/dbraw/zinc/51/57/96/668515796.db2.gz QHQJOYNUKQEKOK-RKDXNWHRSA-N -1 0 349.307 -2.519 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)c1[O-] ZINC001023481339 668515677 /nfs/dbraw/zinc/51/56/77/668515677.db2.gz WPLHMPFMQGGJHA-NXEZZACHSA-N -1 0 332.320 -1.171 20 0 EAADRM O=C(Cc1ccoc1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023495992 668519044 /nfs/dbraw/zinc/51/90/44/668519044.db2.gz PEVIJIIYIYJDOJ-RKDXNWHRSA-N -1 0 349.303 -1.580 20 0 EAADRM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)co1 ZINC001023513850 668521722 /nfs/dbraw/zinc/52/17/22/668521722.db2.gz JMXCNJCBLTUABY-RKDXNWHRSA-N -1 0 349.303 -1.200 20 0 EAADRM CN1C[C@H](C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)NC1=O ZINC001023532629 668526427 /nfs/dbraw/zinc/52/64/27/668526427.db2.gz UINDINGNEQPQBY-NXEZZACHSA-N -1 0 337.384 -1.138 20 0 EAADRM CN1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)NC1=O ZINC001023532630 668526280 /nfs/dbraw/zinc/52/62/80/668526280.db2.gz UINDINGNEQPQBY-UWVGGRQHSA-N -1 0 337.384 -1.138 20 0 EAADRM CN1C[C@H](C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)NC1=O ZINC001023532631 668526322 /nfs/dbraw/zinc/52/63/22/668526322.db2.gz UINDINGNEQPQBY-VHSXEESVSA-N -1 0 337.384 -1.138 20 0 EAADRM CN1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)NC1=O ZINC001023532632 668526222 /nfs/dbraw/zinc/52/62/22/668526222.db2.gz UINDINGNEQPQBY-ZJUUUORDSA-N -1 0 337.384 -1.138 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccnn3C)C2)c1[O-] ZINC001023534059 668525803 /nfs/dbraw/zinc/52/58/03/668525803.db2.gz VLNSPMWBADWWCV-GHMZBOCLSA-N -1 0 348.363 -1.299 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)c1[O-] ZINC001023538621 668527493 /nfs/dbraw/zinc/52/74/93/668527493.db2.gz MPTPVOPCVBVUSZ-GHMZBOCLSA-N -1 0 346.347 -1.242 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnnn3C)C2)c1[O-] ZINC001023555256 668530948 /nfs/dbraw/zinc/53/09/48/668530948.db2.gz UTRVFPYIVSSICX-VXNVDRBHSA-N -1 0 335.324 -1.832 20 0 EAADRM Cc1cc[nH]c1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023556792 668531087 /nfs/dbraw/zinc/53/10/87/668531087.db2.gz KPSMUOQHZMAGKC-HTQZYQBOSA-N -1 0 348.319 -1.465 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1[O-] ZINC001023563015 668533832 /nfs/dbraw/zinc/53/38/32/668533832.db2.gz ZBTCDUIRVKFCDD-BWZBUEFSSA-N -1 0 339.308 -2.166 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1[O-] ZINC001023563017 668533842 /nfs/dbraw/zinc/53/38/42/668533842.db2.gz ZBTCDUIRVKFCDD-GJMOJQLCSA-N -1 0 339.308 -2.166 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)c1[O-] ZINC001023586336 668537379 /nfs/dbraw/zinc/53/73/79/668537379.db2.gz AANMRNBJAZIDIP-VXNVDRBHSA-N -1 0 335.324 -1.832 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)c1[O-] ZINC001023592286 668541001 /nfs/dbraw/zinc/54/10/01/668541001.db2.gz LJLXWMOTPDMJGW-HTQZYQBOSA-N -1 0 335.324 -1.832 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3O)C[C@H]2O)n1 ZINC001023592564 668541399 /nfs/dbraw/zinc/54/13/99/668541399.db2.gz NQDVURCFICJZOT-PSASIEDQSA-N -1 0 332.320 -1.469 20 0 EAADRM CCn1nncc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001023600739 668544257 /nfs/dbraw/zinc/54/42/57/668544257.db2.gz UMJFAEODEQLDDF-PSASIEDQSA-N -1 0 349.351 -1.350 20 0 EAADRM CCn1ncc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)n1 ZINC001023602236 668544393 /nfs/dbraw/zinc/54/43/93/668544393.db2.gz WMIHJMUJFUALIF-NXEZZACHSA-N -1 0 349.351 -1.350 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001023610493 668546226 /nfs/dbraw/zinc/54/62/26/668546226.db2.gz FEEBWVMVOSBTOR-FSDSQADBSA-N -1 0 347.278 -1.968 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001023610494 668546314 /nfs/dbraw/zinc/54/63/14/668546314.db2.gz FEEBWVMVOSBTOR-RRKCRQDMSA-N -1 0 347.278 -1.968 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)[C@H]1CC1(F)F ZINC001023610721 668546292 /nfs/dbraw/zinc/54/62/92/668546292.db2.gz IGDLOQASKXPWFO-HSUXUTPPSA-N -1 0 345.262 -1.761 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)[C@@H]1CC1(F)F ZINC001023610722 668546310 /nfs/dbraw/zinc/54/63/10/668546310.db2.gz IGDLOQASKXPWFO-KVQBGUIXSA-N -1 0 345.262 -1.761 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001023620384 668547200 /nfs/dbraw/zinc/54/72/00/668547200.db2.gz NRJOKMFKPNJELS-RNFRBKRXSA-N -1 0 337.296 -2.586 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1ncc[nH]1 ZINC001023629249 668549485 /nfs/dbraw/zinc/54/94/85/668549485.db2.gz WFPZTDICGRXYLA-PHDIDXHHSA-N -1 0 335.280 -2.379 20 0 EAADRM Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023629956 668549322 /nfs/dbraw/zinc/54/93/22/668549322.db2.gz XWLABWDYMJGGBM-RNFRBKRXSA-N -1 0 349.307 -2.070 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]2O)[nH]1 ZINC001023633807 668550034 /nfs/dbraw/zinc/55/00/34/668550034.db2.gz JLWNKKSHYINAJB-RKDXNWHRSA-N -1 0 349.351 -1.606 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccn(C)n3)C2)c1[O-] ZINC001023650215 668555895 /nfs/dbraw/zinc/55/58/95/668555895.db2.gz QGIVSWPNIRCFSG-GHMZBOCLSA-N -1 0 348.363 -1.299 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)[C@@H]1CC12CCC2 ZINC001023719807 668562451 /nfs/dbraw/zinc/56/24/51/668562451.db2.gz YOOFHCWAICOSHN-DJLDLDEBSA-N -1 0 349.347 -1.226 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)[C@H]1CC12CCC2 ZINC001023719808 668562238 /nfs/dbraw/zinc/56/22/38/668562238.db2.gz YOOFHCWAICOSHN-IWSPIJDZSA-N -1 0 349.347 -1.226 20 0 EAADRM Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001023735762 668563894 /nfs/dbraw/zinc/56/38/94/668563894.db2.gz OGDXUWWRGUUHSG-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001023762373 668568731 /nfs/dbraw/zinc/56/87/31/668568731.db2.gz BNGTYKQCUUUPPW-HTQZYQBOSA-N -1 0 341.274 -1.411 20 0 EAADRM COCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762633 668568617 /nfs/dbraw/zinc/56/86/17/668568617.db2.gz IQFKCHXFZSSGFT-NXEZZACHSA-N -1 0 335.320 -2.030 20 0 EAADRM NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762657 668568390 /nfs/dbraw/zinc/56/83/90/668568390.db2.gz JUKKVCARIPMGAH-RKDXNWHRSA-N -1 0 348.319 -2.801 20 0 EAADRM CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762788 668568510 /nfs/dbraw/zinc/56/85/10/668568510.db2.gz PRKZRFUOCPGUDV-FBIMIBRVSA-N -1 0 349.347 -1.641 20 0 EAADRM CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762789 668569006 /nfs/dbraw/zinc/56/90/06/668569006.db2.gz PRKZRFUOCPGUDV-JMJZKYOTSA-N -1 0 349.347 -1.641 20 0 EAADRM C[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762798 668569241 /nfs/dbraw/zinc/56/92/41/668569241.db2.gz QJLORTOAONXJKG-CNVPUSNMSA-N -1 0 345.359 -1.020 20 0 EAADRM C[C@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762799 668569105 /nfs/dbraw/zinc/56/91/05/668569105.db2.gz QJLORTOAONXJKG-GAIPPQHRSA-N -1 0 345.359 -1.020 20 0 EAADRM CC(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023762843 668568958 /nfs/dbraw/zinc/56/89/58/668568958.db2.gz SUEWCBBMTIUMBC-GHMZBOCLSA-N -1 0 333.348 -1.020 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001023762891 668569090 /nfs/dbraw/zinc/56/90/90/668569090.db2.gz VDZRBCFTXUMBEI-GHMZBOCLSA-N -1 0 331.332 -1.266 20 0 EAADRM NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001023764203 668569127 /nfs/dbraw/zinc/56/91/27/668569127.db2.gz VMTUULJCWQGDFX-HTQZYQBOSA-N -1 0 334.292 -3.191 20 0 EAADRM Cc1c[nH]cc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023776687 668570147 /nfs/dbraw/zinc/57/01/47/668570147.db2.gz KDHWVMVHYRXYHO-RKDXNWHRSA-N -1 0 348.319 -1.465 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn(C)n3)C2)c1[O-] ZINC001023785774 668572734 /nfs/dbraw/zinc/57/27/34/668572734.db2.gz SFFZUZHULJBGPI-NXEZZACHSA-N -1 0 334.336 -1.227 20 0 EAADRM Cn1ccc(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)n1 ZINC001023785776 668572908 /nfs/dbraw/zinc/57/29/08/668572908.db2.gz SHRIHRDTZASJFB-HTQZYQBOSA-N -1 0 349.307 -2.368 20 0 EAADRM Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1O ZINC001023800079 668577068 /nfs/dbraw/zinc/57/70/68/668577068.db2.gz SSZSYRYQZZLRBH-GHMZBOCLSA-N -1 0 348.363 -1.070 20 0 EAADRM Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1O ZINC001023803196 668577341 /nfs/dbraw/zinc/57/73/41/668577341.db2.gz KLZVXTGXEFQUKE-VXGBXAGGSA-N -1 0 346.347 -1.311 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)c1[O-] ZINC001023851654 668581982 /nfs/dbraw/zinc/58/19/82/668581982.db2.gz PZMXCWAIVMGFLR-HTQZYQBOSA-N -1 0 336.312 -2.588 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)c1[O-] ZINC001023892762 668591390 /nfs/dbraw/zinc/59/13/90/668591390.db2.gz VIVVGAPZYICEBA-RKDXNWHRSA-N -1 0 335.324 -1.983 20 0 EAADRM Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]2O)n1 ZINC001023916292 668593301 /nfs/dbraw/zinc/59/33/01/668593301.db2.gz RZPWFXWKOPRRIZ-RNFRBKRXSA-N -1 0 349.307 -2.070 20 0 EAADRM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001023922183 668593276 /nfs/dbraw/zinc/59/32/76/668593276.db2.gz PKOGPXIHTOHEDO-SGIHWFKDSA-N -1 0 349.347 -1.370 20 0 EAADRM O=C(Cc1ccc[nH]1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023998167 668602406 /nfs/dbraw/zinc/60/24/06/668602406.db2.gz GETPITYZQMJBFF-RKDXNWHRSA-N -1 0 348.319 -1.845 20 0 EAADRM Cn1nnc(CNC[C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001024053296 668605882 /nfs/dbraw/zinc/60/58/82/668605882.db2.gz AJKAILRSGYVGTN-MRVPVSSYSA-N -1 0 349.355 -1.552 20 0 EAADRM Cn1nnc(CNC[C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n1 ZINC001024053297 668605817 /nfs/dbraw/zinc/60/58/17/668605817.db2.gz AJKAILRSGYVGTN-QMMMGPOBSA-N -1 0 349.355 -1.552 20 0 EAADRM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1[O-] ZINC001024076081 668609625 /nfs/dbraw/zinc/60/96/25/668609625.db2.gz AKRFYUMJTBQXCJ-FHTCGPRVSA-N -1 0 336.348 -1.238 20 0 EAADRM 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Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1[O-] ZINC001025370713 668805436 /nfs/dbraw/zinc/80/54/36/668805436.db2.gz NETGYHAGFVOVBK-XLPZGREQSA-N -1 0 338.324 -2.593 20 0 EAADRM NC(=O)C(=O)N[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H]1O ZINC001025381120 668808661 /nfs/dbraw/zinc/80/86/61/668808661.db2.gz DUEILYBFCRAVEZ-HTQZYQBOSA-N -1 0 349.307 -3.756 20 0 EAADRM NC(=O)C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001025382109 668810492 /nfs/dbraw/zinc/81/04/92/668810492.db2.gz YDORWURKTHWAKA-RNFRBKRXSA-N -1 0 335.276 -2.285 20 0 EAADRM NC(=O)C(=O)N[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)C[C@H]1O ZINC001025383446 668810137 /nfs/dbraw/zinc/81/01/37/668810137.db2.gz ZJPWHDSGAAAXKK-NXEZZACHSA-N -1 0 345.315 -1.878 20 0 EAADRM NC(=O)C(=O)N[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1O ZINC001025388281 668812527 /nfs/dbraw/zinc/81/25/27/668812527.db2.gz YCPVEMNSPMQEKD-HTQZYQBOSA-N -1 0 334.292 -3.191 20 0 EAADRM NC(=O)C(=O)N[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1O 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344.397 -1.765 20 0 EAADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CC2(C1)NC(=O)NC2=O ZINC001038802292 673072851 /nfs/dbraw/zinc/07/28/51/673072851.db2.gz SQNDGLZSPABCPG-PSVZYIBISA-N -1 0 349.351 -1.811 20 0 EAADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C1CC2(C1)NC(=O)NC2=O ZINC001038802295 673072707 /nfs/dbraw/zinc/07/27/07/673072707.db2.gz SQNDGLZSPABCPG-ZLJRZNNWSA-N -1 0 349.351 -1.811 20 0 EAADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1nc2ncccn2n1 ZINC001038830182 673074135 /nfs/dbraw/zinc/07/41/35/673074135.db2.gz TXKBWAXQGBKDRQ-MRVPVSSYSA-N -1 0 329.324 -1.048 20 0 EAADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1nc2ncccn2n1 ZINC001038830183 673074441 /nfs/dbraw/zinc/07/44/41/673074441.db2.gz TXKBWAXQGBKDRQ-QMMMGPOBSA-N -1 0 329.324 -1.048 20 0 EAADRM O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc(=O)n2[nH]cnc2n1 ZINC001038919567 673075425 /nfs/dbraw/zinc/07/54/25/673075425.db2.gz DJBQNOLERACETB-SSDOTTSWSA-N -1 0 345.323 -1.754 20 0 EAADRM O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc(=O)n2[nH]cnc2n1 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CNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001039401439 673085711 /nfs/dbraw/zinc/08/57/11/673085711.db2.gz CFJGOKNVIINSSV-BDAKNGLRSA-N -1 0 336.352 -1.292 20 0 EAADRM C[C@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001039401487 673085624 /nfs/dbraw/zinc/08/56/24/673085624.db2.gz GVUHYHPHQRCIQW-HLTSFMKQSA-N -1 0 336.352 -1.165 20 0 EAADRM C[C@@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001039401488 673085471 /nfs/dbraw/zinc/08/54/71/673085471.db2.gz GVUHYHPHQRCIQW-YIZRAAEISA-N -1 0 336.352 -1.165 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1[C@@H]2CC[C@H]1CN([C@@H]1CCNC1=O)CC2 ZINC001039401591 673085771 /nfs/dbraw/zinc/08/57/71/673085771.db2.gz LGDIWKYLWDAGOF-KXUCPTDWSA-N -1 0 348.363 -1.150 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1[C@@H]2CC[C@H]1CN([C@H]1CCNC1=O)CC2 ZINC001039401592 673085642 /nfs/dbraw/zinc/08/56/42/673085642.db2.gz LGDIWKYLWDAGOF-UTLUCORTSA-N -1 0 348.363 -1.150 20 0 EAADRM CNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O ZINC001039413737 673085726 /nfs/dbraw/zinc/08/57/26/673085726.db2.gz AESJXEUJJCYWKF-MNOVXSKESA-N -1 0 349.391 -1.089 20 0 EAADRM C[C@@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001039464385 673086255 /nfs/dbraw/zinc/08/62/55/673086255.db2.gz HGHAXOYIIYYEKK-AEJSXWLSSA-N -1 0 338.368 -1.372 20 0 EAADRM C[C@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001039464386 673086141 /nfs/dbraw/zinc/08/61/41/673086141.db2.gz HGHAXOYIIYYEKK-BBBLOLIVSA-N -1 0 338.368 -1.372 20 0 EAADRM CNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001039464424 673086425 /nfs/dbraw/zinc/08/64/25/673086425.db2.gz JPOJLIMINKYHNM-ZJUUUORDSA-N -1 0 338.368 -1.499 20 0 EAADRM O=C(Cn1cnnn1)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001039510088 673086791 /nfs/dbraw/zinc/08/67/91/673086791.db2.gz QEVQKPGLYOXGMJ-AOOOYVTPSA-N -1 0 333.356 -1.238 20 0 EAADRM O=C(Cn1ncnn1)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 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COCCOCC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042572220 673453236 /nfs/dbraw/zinc/45/32/36/673453236.db2.gz HZQQHRPHMGMIDJ-UHFFFAOYSA-N -1 0 342.352 -1.610 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3cnn(C)n3)C2)c1[O-] ZINC001042572261 673453135 /nfs/dbraw/zinc/45/31/35/673453135.db2.gz ILKMWSKPVYFJSG-UHFFFAOYSA-N -1 0 335.324 -1.831 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)n3cncn3)C2)c1[O-] ZINC001042572337 673453216 /nfs/dbraw/zinc/45/32/16/673453216.db2.gz JLNGMGWBHIJXTH-SECBINFHSA-N -1 0 349.351 -1.420 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H](C)n3cncn3)C2)c1[O-] ZINC001042572339 673453238 /nfs/dbraw/zinc/45/32/38/673453238.db2.gz JLNGMGWBHIJXTH-VIFPVBQESA-N -1 0 349.351 -1.420 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3cnsn3)C2)c1[O-] ZINC001042572346 673453176 /nfs/dbraw/zinc/45/31/76/673453176.db2.gz JPDGKXQAGTZKJV-UHFFFAOYSA-N -1 0 338.349 -1.108 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)c1[O-] ZINC001042572355 673453268 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Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3nnn(C)c3C)C2)c1[O-] ZINC001042573106 673453118 /nfs/dbraw/zinc/45/31/18/673453118.db2.gz WSLZFAIMHTUVMC-UHFFFAOYSA-N -1 0 349.351 -1.522 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H](C)NC(N)=O)C2)c1[O-] ZINC001042573235 673453264 /nfs/dbraw/zinc/45/32/64/673453264.db2.gz XMHZSLVOTZSCIA-ZETCQYMHSA-N -1 0 340.340 -2.216 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)Cc3ccon3)C2)c1[O-] ZINC001042573236 673453144 /nfs/dbraw/zinc/45/31/44/673453144.db2.gz XMQQMOMJRZFJRX-UHFFFAOYSA-N -1 0 335.320 -1.042 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H](O)C(C)C)C2)c1[O-] ZINC001042573237 673453196 /nfs/dbraw/zinc/45/31/96/673453196.db2.gz XMXLQBBOJNVYGV-SNVBAGLBSA-N -1 0 326.353 -1.256 20 0 EAADRM CC(=O)NCC(=O)N1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001042573261 673453557 /nfs/dbraw/zinc/45/35/57/673453557.db2.gz XTQPRMCWKXEMSB-UHFFFAOYSA-N -1 0 325.325 -2.137 20 0 EAADRM Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccc(=O)[nH]n3)C2)c1[O-] ZINC001042573292 673453409 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Cc1[nH]nc(C(=O)N(C)[C@H]2CN(Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001047350521 673936095 /nfs/dbraw/zinc/93/60/95/673936095.db2.gz FQECXPQLGKUSJP-QWRGUYRKSA-N -1 0 335.368 -1.130 20 0 EAADRM CN(C(=O)C[C@@H]1COC(=O)C1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047350620 673936508 /nfs/dbraw/zinc/93/65/08/673936508.db2.gz CIZQDVUAFIULRV-GUBZILKMSA-N -1 0 339.352 -1.533 20 0 EAADRM CN(C(=O)C[C@H]1COC(=O)C1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047350622 673936474 /nfs/dbraw/zinc/93/64/74/673936474.db2.gz CIZQDVUAFIULRV-UTLUCORTSA-N -1 0 339.352 -1.533 20 0 EAADRM Cc1[nH]nc(C(=O)N(C)[C@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC001047350792 673936428 /nfs/dbraw/zinc/93/64/28/673936428.db2.gz LXBIDVLLSACTQJ-QWRGUYRKSA-N -1 0 335.368 -1.130 20 0 EAADRM CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001047350805 673936407 /nfs/dbraw/zinc/93/64/07/673936407.db2.gz MWKSKHXEGZJEBR-GUBZILKMSA-N -1 0 325.369 -1.325 20 0 EAADRM 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IUIOIFSSZMALOX-BQBZGAKWSA-N -1 0 326.313 -2.472 20 0 EAADRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051459377 672797063 /nfs/dbraw/zinc/79/70/63/672797063.db2.gz IUIOIFSSZMALOX-NKWVEPMBSA-N -1 0 326.313 -2.472 20 0 EAADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001051459378 672797047 /nfs/dbraw/zinc/79/70/47/672797047.db2.gz IUIOIFSSZMALOX-RNFRBKRXSA-N -1 0 326.313 -2.472 20 0 EAADRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001051459379 672797182 /nfs/dbraw/zinc/79/71/82/672797182.db2.gz IUIOIFSSZMALOX-RQJHMYQMSA-N -1 0 326.313 -2.472 20 0 EAADRM CS(=O)(=O)CC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051477884 672800115 /nfs/dbraw/zinc/80/01/15/672800115.db2.gz KNMOVDMDDRWAJN-MRVPVSSYSA-N -1 0 333.370 -2.128 20 0 EAADRM CS(=O)(=O)CC(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051477885 672800058 /nfs/dbraw/zinc/80/00/58/672800058.db2.gz KNMOVDMDDRWAJN-QMMMGPOBSA-N -1 0 333.370 -2.128 20 0 EAADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNCc3nnn(C)n3)C2)c1[O-] ZINC001051547755 672805426 /nfs/dbraw/zinc/80/54/26/672805426.db2.gz AIXHCBHYPKLMDH-SECBINFHSA-N -1 0 336.356 -1.422 20 0 EAADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNCc3nnn(C)n3)C2)c1[O-] ZINC001051547756 672805783 /nfs/dbraw/zinc/80/57/83/672805783.db2.gz AIXHCBHYPKLMDH-VIFPVBQESA-N -1 0 336.356 -1.422 20 0 EAADRM Cc1[nH]nc(C(=O)N2CCO[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001051550360 672805683 /nfs/dbraw/zinc/80/56/83/672805683.db2.gz OWEIDLGMMWSCRC-MRVPVSSYSA-N -1 0 337.340 -1.122 20 0 EAADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)c1[O-] ZINC001051550362 672805232 /nfs/dbraw/zinc/80/52/32/672805232.db2.gz OWEIDLGMMWSCRC-QMMMGPOBSA-N -1 0 337.340 -1.122 20 0 EAADRM Cc1[nH]nc(C(=O)N2CCO[C@H](CNCc3nnnn3C)C2)c1[O-] ZINC001051552335 672805335 /nfs/dbraw/zinc/80/53/35/672805335.db2.gz YXNCPYJBYZYLII-SECBINFHSA-N -1 0 336.356 -1.422 20 0 EAADRM Cc1[nH]nc(C(=O)N2CCO[C@@H](CNCc3nnnn3C)C2)c1[O-] ZINC001051552336 672805266 /nfs/dbraw/zinc/80/52/66/672805266.db2.gz YXNCPYJBYZYLII-VIFPVBQESA-N -1 0 336.356 -1.422 20 0 EAADRM O=C(C1CS(=O)(=O)C1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051638161 672816652 /nfs/dbraw/zinc/81/66/52/672816652.db2.gz PMGMYZBCRYQTAL-SECBINFHSA-N -1 0 345.381 -2.128 20 0 EAADRM O=C(C1CS(=O)(=O)C1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051638164 672816588 /nfs/dbraw/zinc/81/65/88/672816588.db2.gz PMGMYZBCRYQTAL-VIFPVBQESA-N -1 0 345.381 -2.128 20 0 EAADRM C[C@H](C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001051686281 672824958 /nfs/dbraw/zinc/82/49/58/672824958.db2.gz WAQYKEBTYUXEMN-BDAKNGLRSA-N -1 0 347.397 -1.740 20 0 EAADRM C[C@@H](C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001051686285 672825375 /nfs/dbraw/zinc/82/53/75/672825375.db2.gz WAQYKEBTYUXEMN-DTWKUNHWSA-N -1 0 347.397 -1.740 20 0 EAADRM C[C@@H](C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001051686287 672825188 /nfs/dbraw/zinc/82/51/88/672825188.db2.gz WAQYKEBTYUXEMN-IUCAKERBSA-N -1 0 347.397 -1.740 20 0 EAADRM C[C@H](C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O ZINC001051686288 672825177 /nfs/dbraw/zinc/82/51/77/672825177.db2.gz WAQYKEBTYUXEMN-RKDXNWHRSA-N -1 0 347.397 -1.740 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H](CNCc2ccon2)C1 ZINC001051697264 672826700 /nfs/dbraw/zinc/82/67/00/672826700.db2.gz ATQJILXNQMMMJV-SECBINFHSA-N -1 0 336.308 -1.098 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H](CNCc2ccon2)C1 ZINC001051697269 672826445 /nfs/dbraw/zinc/82/64/45/672826445.db2.gz ATQJILXNQMMMJV-VIFPVBQESA-N -1 0 336.308 -1.098 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H](CNCc2cnon2)C1 ZINC001051697718 672826613 /nfs/dbraw/zinc/82/66/13/672826613.db2.gz IKFQWTRVIFDHAU-MRVPVSSYSA-N -1 0 337.296 -1.703 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H](CNCc2cnon2)C1 ZINC001051697719 672826598 /nfs/dbraw/zinc/82/65/98/672826598.db2.gz IKFQWTRVIFDHAU-QMMMGPOBSA-N -1 0 337.296 -1.703 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H](CNCc2ncccn2)C1 ZINC001051699995 672827082 /nfs/dbraw/zinc/82/70/82/672827082.db2.gz VFOWDMDYSLLUBZ-SECBINFHSA-N -1 0 347.335 -1.296 20 0 EAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H](CNCc2ncccn2)C1 ZINC001051699996 672827174 /nfs/dbraw/zinc/82/71/74/672827174.db2.gz VFOWDMDYSLLUBZ-VIFPVBQESA-N -1 0 347.335 -1.296 20 0 EAADRM Cc1ccnc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)n1 ZINC001051710390 672828394 /nfs/dbraw/zinc/82/83/94/672828394.db2.gz AEUIKFIDYUSHPF-NXEZZACHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccnc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n1 ZINC001051710391 672828421 /nfs/dbraw/zinc/82/84/21/672828421.db2.gz AEUIKFIDYUSHPF-UWVGGRQHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccnc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)n1 ZINC001051710392 672828455 /nfs/dbraw/zinc/82/84/55/672828455.db2.gz AEUIKFIDYUSHPF-VHSXEESVSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccnc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n1 ZINC001051710393 672828426 /nfs/dbraw/zinc/82/84/26/672828426.db2.gz AEUIKFIDYUSHPF-ZJUUUORDSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1cc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)ncn1 ZINC001051711651 672828915 /nfs/dbraw/zinc/82/89/15/672828915.db2.gz JITTXFVOEDGLNK-NXEZZACHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1cc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)ncn1 ZINC001051711653 672828866 /nfs/dbraw/zinc/82/88/66/672828866.db2.gz JITTXFVOEDGLNK-UWVGGRQHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1cc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)ncn1 ZINC001051711655 672828818 /nfs/dbraw/zinc/82/88/18/672828818.db2.gz JITTXFVOEDGLNK-VHSXEESVSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1cc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)ncn1 ZINC001051711657 672828892 /nfs/dbraw/zinc/82/88/92/672828892.db2.gz JITTXFVOEDGLNK-ZJUUUORDSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)nn1 ZINC001051713312 672828945 /nfs/dbraw/zinc/82/89/45/672828945.db2.gz RFNKCNWGCDUEKV-NXEZZACHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)nn1 ZINC001051713313 672828982 /nfs/dbraw/zinc/82/89/82/672828982.db2.gz RFNKCNWGCDUEKV-UWVGGRQHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)nn1 ZINC001051713314 672829105 /nfs/dbraw/zinc/82/91/05/672829105.db2.gz RFNKCNWGCDUEKV-VHSXEESVSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1ccc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)nn1 ZINC001051713318 672829004 /nfs/dbraw/zinc/82/90/04/672829004.db2.gz RFNKCNWGCDUEKV-ZJUUUORDSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1nccc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)n1 ZINC001051713921 672829368 /nfs/dbraw/zinc/82/93/68/672829368.db2.gz UWKZOUYWDKTNID-NXEZZACHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1nccc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n1 ZINC001051713925 672829593 /nfs/dbraw/zinc/82/95/93/672829593.db2.gz UWKZOUYWDKTNID-UWVGGRQHSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1nccc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@H](O)C2)n1 ZINC001051713929 672829498 /nfs/dbraw/zinc/82/94/98/672829498.db2.gz UWKZOUYWDKTNID-VHSXEESVSA-N -1 0 349.351 -1.456 20 0 EAADRM Cc1nccc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n1 ZINC001051713932 672829669 /nfs/dbraw/zinc/82/96/69/672829669.db2.gz UWKZOUYWDKTNID-ZJUUUORDSA-N -1 0 349.351 -1.456 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ncccn2)C[C@@H]1O ZINC001051714822 672829665 /nfs/dbraw/zinc/82/96/65/672829665.db2.gz YLMONXXEKXGQQS-BDAKNGLRSA-N -1 0 335.324 -1.765 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ncccn2)C[C@H]1O ZINC001051714824 672829397 /nfs/dbraw/zinc/82/93/97/672829397.db2.gz YLMONXXEKXGQQS-DTWKUNHWSA-N -1 0 335.324 -1.765 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ncccn2)C[C@@H]1O ZINC001051714826 672829674 /nfs/dbraw/zinc/82/96/74/672829674.db2.gz YLMONXXEKXGQQS-IUCAKERBSA-N -1 0 335.324 -1.765 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ncccn2)C[C@H]1O ZINC001051714828 672829377 /nfs/dbraw/zinc/82/93/77/672829377.db2.gz YLMONXXEKXGQQS-RKDXNWHRSA-N -1 0 335.324 -1.765 20 0 EAADRM COCCC(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001051725007 672830663 /nfs/dbraw/zinc/83/06/63/672830663.db2.gz DPBHEWLNVAPICI-NXEZZACHSA-N -1 0 341.368 -1.064 20 0 EAADRM COCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051725008 672830612 /nfs/dbraw/zinc/83/06/12/672830612.db2.gz DPBHEWLNVAPICI-UWVGGRQHSA-N -1 0 341.368 -1.064 20 0 EAADRM COCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051725009 672830418 /nfs/dbraw/zinc/83/04/18/672830418.db2.gz DPBHEWLNVAPICI-VHSXEESVSA-N -1 0 341.368 -1.064 20 0 EAADRM COCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051725010 672830598 /nfs/dbraw/zinc/83/05/98/672830598.db2.gz DPBHEWLNVAPICI-ZJUUUORDSA-N -1 0 341.368 -1.064 20 0 EAADRM COCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051785184 672840619 /nfs/dbraw/zinc/84/06/19/672840619.db2.gz XEXPYJZWFBIOQO-BDAKNGLRSA-N -1 0 327.341 -1.454 20 0 EAADRM COCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051785185 672840823 /nfs/dbraw/zinc/84/08/23/672840823.db2.gz XEXPYJZWFBIOQO-DTWKUNHWSA-N -1 0 327.341 -1.454 20 0 EAADRM COCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051785186 672840785 /nfs/dbraw/zinc/84/07/85/672840785.db2.gz XEXPYJZWFBIOQO-IUCAKERBSA-N -1 0 327.341 -1.454 20 0 EAADRM COCC(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001051785187 672840459 /nfs/dbraw/zinc/84/04/59/672840459.db2.gz XEXPYJZWFBIOQO-RKDXNWHRSA-N -1 0 327.341 -1.454 20 0 EAADRM Cc1ccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)nn1 ZINC001051805190 672844333 /nfs/dbraw/zinc/84/43/33/672844333.db2.gz CWZFATDGZDEIQM-BDAKNGLRSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)nn1 ZINC001051805191 672844645 /nfs/dbraw/zinc/84/46/45/672844645.db2.gz CWZFATDGZDEIQM-DTWKUNHWSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)nn1 ZINC001051805192 672844407 /nfs/dbraw/zinc/84/44/07/672844407.db2.gz CWZFATDGZDEIQM-IUCAKERBSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)nn1 ZINC001051805193 672844349 /nfs/dbraw/zinc/84/43/49/672844349.db2.gz CWZFATDGZDEIQM-RKDXNWHRSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1cc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)ncn1 ZINC001051805940 672844586 /nfs/dbraw/zinc/84/45/86/672844586.db2.gz IGPJYHACHWNOBS-BDAKNGLRSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1cc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)ncn1 ZINC001051805941 672844641 /nfs/dbraw/zinc/84/46/41/672844641.db2.gz IGPJYHACHWNOBS-DTWKUNHWSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1cc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)ncn1 ZINC001051805942 672844433 /nfs/dbraw/zinc/84/44/33/672844433.db2.gz IGPJYHACHWNOBS-IUCAKERBSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1cc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)ncn1 ZINC001051805943 672844355 /nfs/dbraw/zinc/84/43/55/672844355.db2.gz IGPJYHACHWNOBS-RKDXNWHRSA-N -1 0 347.335 -1.249 20 0 EAADRM O=C(N[C@@H]1CCN(c2ncccn2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001051806510 672844886 /nfs/dbraw/zinc/84/48/86/672844886.db2.gz NJNWYYADXJVQOX-HTQZYQBOSA-N -1 0 333.308 -1.558 20 0 EAADRM O=C(N[C@H]1CCN(c2ncccn2)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001051806511 672844578 /nfs/dbraw/zinc/84/45/78/672844578.db2.gz NJNWYYADXJVQOX-JGVFFNPUSA-N -1 0 333.308 -1.558 20 0 EAADRM O=C(N[C@@H]1CCN(c2ncccn2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001051806512 672844726 /nfs/dbraw/zinc/84/47/26/672844726.db2.gz NJNWYYADXJVQOX-SFYZADRCSA-N -1 0 333.308 -1.558 20 0 EAADRM O=C(N[C@H]1CCN(c2ncccn2)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O ZINC001051806513 672844802 /nfs/dbraw/zinc/84/48/02/672844802.db2.gz NJNWYYADXJVQOX-YUMQZZPRSA-N -1 0 333.308 -1.558 20 0 EAADRM Cc1nccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001051806672 672844493 /nfs/dbraw/zinc/84/44/93/672844493.db2.gz NPBQWZUQAYBVQD-BDAKNGLRSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1nccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)n1 ZINC001051806673 672844678 /nfs/dbraw/zinc/84/46/78/672844678.db2.gz NPBQWZUQAYBVQD-DTWKUNHWSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1nccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001051806675 672844339 /nfs/dbraw/zinc/84/43/39/672844339.db2.gz NPBQWZUQAYBVQD-IUCAKERBSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1nccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)n1 ZINC001051806676 672844441 /nfs/dbraw/zinc/84/44/41/672844441.db2.gz NPBQWZUQAYBVQD-RKDXNWHRSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccnc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001051807212 672845042 /nfs/dbraw/zinc/84/50/42/672845042.db2.gz RXMQOTUEHCNTIQ-BDAKNGLRSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccnc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)n1 ZINC001051807213 672845447 /nfs/dbraw/zinc/84/54/47/672845447.db2.gz RXMQOTUEHCNTIQ-DTWKUNHWSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccnc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n1 ZINC001051807214 672845477 /nfs/dbraw/zinc/84/54/77/672845477.db2.gz RXMQOTUEHCNTIQ-IUCAKERBSA-N -1 0 347.335 -1.249 20 0 EAADRM Cc1ccnc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@H](O)C2)n1 ZINC001051807215 672845289 /nfs/dbraw/zinc/84/52/89/672845289.db2.gz RXMQOTUEHCNTIQ-RKDXNWHRSA-N -1 0 347.335 -1.249 20 0 EAADRM CCOCC(=O)N1C[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](C)C1 ZINC001051885817 672852912 /nfs/dbraw/zinc/85/29/12/672852912.db2.gz MQYSCNVCQMRSDO-NXEZZACHSA-N -1 0 341.368 -1.064 20 0 EAADRM CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051885818 672852907 /nfs/dbraw/zinc/85/29/07/672852907.db2.gz MQYSCNVCQMRSDO-UWVGGRQHSA-N -1 0 341.368 -1.064 20 0 EAADRM CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051885819 672853104 /nfs/dbraw/zinc/85/31/04/672853104.db2.gz MQYSCNVCQMRSDO-VHSXEESVSA-N -1 0 341.368 -1.064 20 0 EAADRM CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001051885820 672852800 /nfs/dbraw/zinc/85/28/00/672852800.db2.gz MQYSCNVCQMRSDO-ZJUUUORDSA-N -1 0 341.368 -1.064 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](CNCc2cnon2)C1 ZINC001051918011 672855787 /nfs/dbraw/zinc/85/57/87/672855787.db2.gz MPDMQORBJJCXCR-SECBINFHSA-N -1 0 339.312 -1.911 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](CNCc2cnon2)C1 ZINC001051918012 672855480 /nfs/dbraw/zinc/85/54/80/672855480.db2.gz MPDMQORBJJCXCR-VIFPVBQESA-N -1 0 339.312 -1.911 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](CNCc2ccon2)C1 ZINC001051918137 672855816 /nfs/dbraw/zinc/85/58/16/672855816.db2.gz NQBLAZDSLQLJRA-JTQLQIEISA-N -1 0 338.324 -1.306 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](CNCc2ccon2)C1 ZINC001051918138 672855645 /nfs/dbraw/zinc/85/56/45/672855645.db2.gz NQBLAZDSLQLJRA-SNVBAGLBSA-N -1 0 338.324 -1.306 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H](CNCc2ncccn2)C1 ZINC001051918179 672855656 /nfs/dbraw/zinc/85/56/56/672855656.db2.gz OWXGNRBUCNGUPA-JTQLQIEISA-N -1 0 349.351 -1.504 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H](CNCc2ncccn2)C1 ZINC001051918180 672855603 /nfs/dbraw/zinc/85/56/03/672855603.db2.gz OWXGNRBUCNGUPA-SNVBAGLBSA-N -1 0 349.351 -1.504 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)c1[O-] ZINC001051935994 672860158 /nfs/dbraw/zinc/86/01/58/672860158.db2.gz UDNYURZPUHJDJV-APPZFPTMSA-N -1 0 338.368 -1.084 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)c1[O-] ZINC001051935995 672860408 /nfs/dbraw/zinc/86/04/08/672860408.db2.gz UDNYURZPUHJDJV-CBAPKCEASA-N -1 0 338.368 -1.084 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)c1[O-] ZINC001051935996 672860196 /nfs/dbraw/zinc/86/01/96/672860196.db2.gz UDNYURZPUHJDJV-IONNQARKSA-N -1 0 338.368 -1.084 20 0 EAADRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)c1[O-] ZINC001051935997 672860431 /nfs/dbraw/zinc/86/04/31/672860431.db2.gz UDNYURZPUHJDJV-VXNVDRBHSA-N -1 0 338.368 -1.084 20 0 EAADRM NC(=O)CC(=O)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052000687 672866107 /nfs/dbraw/zinc/86/61/07/672866107.db2.gz OUMTZOGWNJXMJT-JTQLQIEISA-N -1 0 337.384 -1.896 20 0 EAADRM NC(=O)CC(=O)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052000688 672865440 /nfs/dbraw/zinc/86/54/40/672865440.db2.gz OUMTZOGWNJXMJT-SNVBAGLBSA-N -1 0 337.384 -1.896 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(CC(N)=O)CC3)C2)c1[O-] ZINC001052016010 672866986 /nfs/dbraw/zinc/86/69/86/672866986.db2.gz VJMZTBRKDKACSQ-LLVKDONJSA-N -1 0 336.396 -1.259 20 0 EAADRM Cc1[nH]nc(C(=O)N2CC[C@H](N3CCN(CC(N)=O)CC3)C2)c1[O-] ZINC001052016011 672867366 /nfs/dbraw/zinc/86/73/66/672867366.db2.gz VJMZTBRKDKACSQ-NSHDSACASA-N -1 0 336.396 -1.259 20 0 EAADRM O=C(c1cn[nH]n1)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052048118 672871263 /nfs/dbraw/zinc/87/12/63/672871263.db2.gz LLJHVIGMZXOMAN-JTQLQIEISA-N -1 0 347.383 -1.339 20 0 EAADRM O=C(c1cn[nH]n1)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052048119 672871326 /nfs/dbraw/zinc/87/13/26/672871326.db2.gz LLJHVIGMZXOMAN-SNVBAGLBSA-N -1 0 347.383 -1.339 20 0 EAADRM C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052056638 672872312 /nfs/dbraw/zinc/87/23/12/672872312.db2.gz LRRGPOOZRDTGCO-BDAKNGLRSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052056640 672872351 /nfs/dbraw/zinc/87/23/51/672872351.db2.gz LRRGPOOZRDTGCO-DTWKUNHWSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052056641 672872139 /nfs/dbraw/zinc/87/21/39/672872139.db2.gz LRRGPOOZRDTGCO-IUCAKERBSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052056642 672872280 /nfs/dbraw/zinc/87/22/80/672872280.db2.gz LRRGPOOZRDTGCO-RKDXNWHRSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052064103 672873473 /nfs/dbraw/zinc/87/34/73/672873473.db2.gz JTVMELKKDSEIFF-PSASIEDQSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052064104 672873564 /nfs/dbraw/zinc/87/35/64/672873564.db2.gz JTVMELKKDSEIFF-SCZZXKLOSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052064105 672873521 /nfs/dbraw/zinc/87/35/21/672873521.db2.gz JTVMELKKDSEIFF-WCBMZHEXSA-N -1 0 349.351 -1.063 20 0 EAADRM C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001052064107 672873218 /nfs/dbraw/zinc/87/32/18/672873218.db2.gz JTVMELKKDSEIFF-WPRPVWTQSA-N -1 0 349.351 -1.063 20 0 EAADRM O=C(c1cnon1)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052099061 672877051 /nfs/dbraw/zinc/87/70/51/672877051.db2.gz GPINNJVZTMTERI-JTQLQIEISA-N -1 0 348.367 -1.074 20 0 EAADRM O=C(c1cnon1)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052099062 672877067 /nfs/dbraw/zinc/87/70/67/672877067.db2.gz GPINNJVZTMTERI-SNVBAGLBSA-N -1 0 348.367 -1.074 20 0 EAADRM O=C(c1nc[nH]n1)N1CC[C@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052099244 672877348 /nfs/dbraw/zinc/87/73/48/672877348.db2.gz WOFPPSSSXFAKJZ-JTQLQIEISA-N -1 0 347.383 -1.339 20 0 EAADRM O=C(c1nc[nH]n1)N1CC[C@@H](N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001052099245 672877327 /nfs/dbraw/zinc/87/73/27/672877327.db2.gz WOFPPSSSXFAKJZ-SNVBAGLBSA-N -1 0 347.383 -1.339 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](N2CCN(CCF)CC2)C1 ZINC001052111886 672878363 /nfs/dbraw/zinc/87/83/63/672878363.db2.gz GIZNCAMTOCFPQS-LLVKDONJSA-N -1 0 342.375 -1.123 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](N2CCN(CCF)CC2)C1 ZINC001052111887 672878223 /nfs/dbraw/zinc/87/82/23/672878223.db2.gz GIZNCAMTOCFPQS-NSHDSACASA-N -1 0 342.375 -1.123 20 0 EAADRM 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EAADRM Cn1ncc(C(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)c1N ZINC001053784623 674149891 /nfs/dbraw/zinc/14/98/91/674149891.db2.gz SDOHFVZZRNLEKT-MRVPVSSYSA-N -1 0 348.367 -1.401 20 0 EAADRM Cn1ncc(C(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)c1N ZINC001053784624 674150041 /nfs/dbraw/zinc/15/00/41/674150041.db2.gz SDOHFVZZRNLEKT-QMMMGPOBSA-N -1 0 348.367 -1.401 20 0 EAADRM Cn1nccc1CC(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053789011 674150317 /nfs/dbraw/zinc/15/03/17/674150317.db2.gz UCVLCIQSWMOFBP-JTQLQIEISA-N -1 0 347.379 -1.054 20 0 EAADRM Cn1nccc1CC(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053789012 674150269 /nfs/dbraw/zinc/15/02/69/674150269.db2.gz UCVLCIQSWMOFBP-SNVBAGLBSA-N -1 0 347.379 -1.054 20 0 EAADRM Cn1cc(C(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)nn1 ZINC001053791085 674150837 /nfs/dbraw/zinc/15/08/37/674150837.db2.gz HBJXUEMVYCFJND-MRVPVSSYSA-N -1 0 334.340 -1.588 20 0 EAADRM Cn1cc(C(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)nn1 ZINC001053791090 674150979 /nfs/dbraw/zinc/15/09/79/674150979.db2.gz HBJXUEMVYCFJND-QMMMGPOBSA-N -1 0 334.340 -1.588 20 0 EAADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1COC(=O)N1 ZINC001053791134 674150891 /nfs/dbraw/zinc/15/08/91/674150891.db2.gz GIGWPIUJEGPMQG-HTQZYQBOSA-N -1 0 338.324 -1.922 20 0 EAADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@H]1COC(=O)N1 ZINC001053791137 674150849 /nfs/dbraw/zinc/15/08/49/674150849.db2.gz GIGWPIUJEGPMQG-JGVFFNPUSA-N -1 0 338.324 -1.922 20 0 EAADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1COC(=O)N1 ZINC001053791139 674150871 /nfs/dbraw/zinc/15/08/71/674150871.db2.gz GIGWPIUJEGPMQG-SFYZADRCSA-N -1 0 338.324 -1.922 20 0 EAADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)[C@@H]1COC(=O)N1 ZINC001053791141 674150882 /nfs/dbraw/zinc/15/08/82/674150882.db2.gz GIGWPIUJEGPMQG-YUMQZZPRSA-N -1 0 338.324 -1.922 20 0 EAADRM Cn1nncc1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053792397 674151146 /nfs/dbraw/zinc/15/11/46/674151146.db2.gz SUNVOGHXCXKNIZ-MRVPVSSYSA-N -1 0 334.340 -1.588 20 0 EAADRM Cn1nncc1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053792398 674151122 /nfs/dbraw/zinc/15/11/22/674151122.db2.gz SUNVOGHXCXKNIZ-QMMMGPOBSA-N -1 0 334.340 -1.588 20 0 EAADRM Cn1cnc(C(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)n1 ZINC001053794046 674151528 /nfs/dbraw/zinc/15/15/28/674151528.db2.gz CRJAJHZJEOOCCS-MRVPVSSYSA-N -1 0 334.340 -1.588 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)n1 ZINC001053794047 674151444 /nfs/dbraw/zinc/15/14/44/674151444.db2.gz CRJAJHZJEOOCCS-QMMMGPOBSA-N -1 0 334.340 -1.588 20 0 EAADRM Cc1nnc(CC(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)o1 ZINC001053794332 674151482 /nfs/dbraw/zinc/15/14/82/674151482.db2.gz LUEJAZHNVUPQMT-SECBINFHSA-N -1 0 349.351 -1.096 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)o1 ZINC001053794333 674151472 /nfs/dbraw/zinc/15/14/72/674151472.db2.gz LUEJAZHNVUPQMT-VIFPVBQESA-N -1 0 349.351 -1.096 20 0 EAADRM CCn1ncc(C(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)n1 ZINC001053794904 674151741 /nfs/dbraw/zinc/15/17/41/674151741.db2.gz AIBJLDQMGNAEQE-SECBINFHSA-N -1 0 348.367 -1.105 20 0 EAADRM CCn1ncc(C(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)n1 ZINC001053794905 674151761 /nfs/dbraw/zinc/15/17/61/674151761.db2.gz AIBJLDQMGNAEQE-VIFPVBQESA-N -1 0 348.367 -1.105 20 0 EAADRM CCn1nncc1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053794948 674151945 /nfs/dbraw/zinc/15/19/45/674151945.db2.gz BMDARVAMZNYVRL-SECBINFHSA-N -1 0 348.367 -1.105 20 0 EAADRM CCn1nncc1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053794949 674151773 /nfs/dbraw/zinc/15/17/73/674151773.db2.gz BMDARVAMZNYVRL-VIFPVBQESA-N -1 0 348.367 -1.105 20 0 EAADRM Cc1nnc(CC(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)[nH]1 ZINC001053795929 674151821 /nfs/dbraw/zinc/15/18/21/674151821.db2.gz ADWRBDMMPJDIGK-SECBINFHSA-N -1 0 348.367 -1.361 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)[nH]1 ZINC001053795930 674151788 /nfs/dbraw/zinc/15/17/88/674151788.db2.gz ADWRBDMMPJDIGK-VIFPVBQESA-N -1 0 348.367 -1.361 20 0 EAADRM Cn1ccc(CC(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)n1 ZINC001053799237 674152075 /nfs/dbraw/zinc/15/20/75/674152075.db2.gz PQNLPAMDXPWPLG-LLVKDONJSA-N -1 0 347.379 -1.054 20 0 EAADRM Cn1ccc(CC(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)n1 ZINC001053799238 674152119 /nfs/dbraw/zinc/15/21/19/674152119.db2.gz PQNLPAMDXPWPLG-NSHDSACASA-N -1 0 347.379 -1.054 20 0 EAADRM O=C(Cn1ncnn1)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053803386 674153120 /nfs/dbraw/zinc/15/31/20/674153120.db2.gz QZUFGJZYSVGPEQ-MRVPVSSYSA-N -1 0 335.328 -2.344 20 0 EAADRM O=C(Cn1ncnn1)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053803387 674153127 /nfs/dbraw/zinc/15/31/27/674153127.db2.gz QZUFGJZYSVGPEQ-QMMMGPOBSA-N -1 0 335.328 -2.344 20 0 EAADRM O=C(Cn1nccn1)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053815373 674153683 /nfs/dbraw/zinc/15/36/83/674153683.db2.gz MBUYGFADTQYYPL-SECBINFHSA-N -1 0 334.340 -1.739 20 0 EAADRM O=C(Cn1nccn1)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053815374 674153679 /nfs/dbraw/zinc/15/36/79/674153679.db2.gz MBUYGFADTQYYPL-VIFPVBQESA-N -1 0 334.340 -1.739 20 0 EAADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cnc[nH]c1=O ZINC001053839178 674155546 /nfs/dbraw/zinc/15/55/46/674155546.db2.gz XXNXXTHJZXVPHF-MRVPVSSYSA-N -1 0 347.335 -1.221 20 0 EAADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cnc[nH]c1=O ZINC001053839179 674155634 /nfs/dbraw/zinc/15/56/34/674155634.db2.gz XXNXXTHJZXVPHF-QMMMGPOBSA-N -1 0 347.335 -1.221 20 0 EAADRM O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cn[nH]c(=O)c1 ZINC001053841630 674155532 /nfs/dbraw/zinc/15/55/32/674155532.db2.gz NNYWKFOLDPEBRG-SECBINFHSA-N -1 0 347.335 -1.221 20 0 EAADRM O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cn[nH]c(=O)c1 ZINC001053841631 674155612 /nfs/dbraw/zinc/15/56/12/674155612.db2.gz NNYWKFOLDPEBRG-VIFPVBQESA-N -1 0 347.335 -1.221 20 0 EAADRM C[C@@H](O)CN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858441 674157236 /nfs/dbraw/zinc/15/72/36/674157236.db2.gz GWUKIZGKAMCODQ-HTQZYQBOSA-N -1 0 325.325 -1.763 20 0 EAADRM C[C@H](O)CN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858442 674157138 /nfs/dbraw/zinc/15/71/38/674157138.db2.gz GWUKIZGKAMCODQ-JGVFFNPUSA-N -1 0 325.325 -1.763 20 0 EAADRM C[C@@H](O)CN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858443 674157143 /nfs/dbraw/zinc/15/71/43/674157143.db2.gz GWUKIZGKAMCODQ-SFYZADRCSA-N -1 0 325.325 -1.763 20 0 EAADRM C[C@H](O)CN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858444 674157072 /nfs/dbraw/zinc/15/70/72/674157072.db2.gz GWUKIZGKAMCODQ-YUMQZZPRSA-N -1 0 325.325 -1.763 20 0 EAADRM CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858633 674157180 /nfs/dbraw/zinc/15/71/80/674157180.db2.gz NCUNAHXWLGVNMC-SSDOTTSWSA-N -1 0 338.324 -2.398 20 0 EAADRM CNC(=O)CN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858634 674157264 /nfs/dbraw/zinc/15/72/64/674157264.db2.gz NCUNAHXWLGVNMC-ZETCQYMHSA-N -1 0 338.324 -2.398 20 0 EAADRM CO[C@H](C)CN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858685 674157248 /nfs/dbraw/zinc/15/72/48/674157248.db2.gz OPDQYOCGRVLECT-BDAKNGLRSA-N -1 0 339.352 -1.109 20 0 EAADRM CO[C@@H](C)CN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858686 674157185 /nfs/dbraw/zinc/15/71/85/674157185.db2.gz OPDQYOCGRVLECT-DTWKUNHWSA-N -1 0 339.352 -1.109 20 0 EAADRM CO[C@@H](C)CN1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858687 674157242 /nfs/dbraw/zinc/15/72/42/674157242.db2.gz OPDQYOCGRVLECT-IUCAKERBSA-N -1 0 339.352 -1.109 20 0 EAADRM CO[C@H](C)CN1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858688 674157124 /nfs/dbraw/zinc/15/71/24/674157124.db2.gz OPDQYOCGRVLECT-RKDXNWHRSA-N -1 0 339.352 -1.109 20 0 EAADRM O=C(N[C@H]1COC2(CN(CCCO)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001053858759 674157203 /nfs/dbraw/zinc/15/72/03/674157203.db2.gz QLPKXKSXKMSAMH-MRVPVSSYSA-N -1 0 325.325 -1.762 20 0 EAADRM O=C(N[C@@H]1COC2(CN(CCCO)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001053858760 674157112 /nfs/dbraw/zinc/15/71/12/674157112.db2.gz QLPKXKSXKMSAMH-QMMMGPOBSA-N -1 0 325.325 -1.762 20 0 EAADRM C[C@@H](C(N)=O)N1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858825 674157108 /nfs/dbraw/zinc/15/71/08/674157108.db2.gz RXKLTPGEEPSDFL-BQBZGAKWSA-N -1 0 338.324 -2.270 20 0 EAADRM C[C@@H](C(N)=O)N1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858826 674157210 /nfs/dbraw/zinc/15/72/10/674157210.db2.gz RXKLTPGEEPSDFL-NKWVEPMBSA-N -1 0 338.324 -2.270 20 0 EAADRM C[C@H](C(N)=O)N1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858827 674157273 /nfs/dbraw/zinc/15/72/73/674157273.db2.gz RXKLTPGEEPSDFL-RNFRBKRXSA-N -1 0 338.324 -2.270 20 0 EAADRM C[C@H](C(N)=O)N1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858828 674157060 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ZINC001057353802 672637281 /nfs/dbraw/zinc/63/72/81/672637281.db2.gz GDSPIMBFCXXCHI-UHFFFAOYSA-N -1 0 343.340 -1.670 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C2=COCCO2)c1[O-] ZINC001057353839 672637401 /nfs/dbraw/zinc/63/74/01/672637401.db2.gz GTRDGLDAQDCJPJ-UHFFFAOYSA-N -1 0 340.336 -1.137 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2nnn(C)n2)c1[O-] ZINC001057353855 672637209 /nfs/dbraw/zinc/63/72/09/672637209.db2.gz HCFAXIRBIPORSN-UHFFFAOYSA-N -1 0 338.328 -2.188 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2ncn(C)n2)c1[O-] ZINC001057353947 672637423 /nfs/dbraw/zinc/63/74/23/672637423.db2.gz IFOIHCJNSSXKKK-UHFFFAOYSA-N -1 0 337.340 -1.583 20 0 EAADRM CCC(=O)NCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057353952 672637310 /nfs/dbraw/zinc/63/73/10/672637310.db2.gz IKCVQKICWIAHEV-UHFFFAOYSA-N -1 0 341.368 -1.499 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)c1[O-] ZINC001057354098 672637661 /nfs/dbraw/zinc/63/76/61/672637661.db2.gz MRILXFQDXWSXMR-SECBINFHSA-N -1 0 339.352 -1.889 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)c1[O-] ZINC001057354099 672637704 /nfs/dbraw/zinc/63/77/04/672637704.db2.gz MRILXFQDXWSXMR-VIFPVBQESA-N -1 0 339.352 -1.889 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)CS(C)(=O)=O)c1[O-] ZINC001057354147 672637758 /nfs/dbraw/zinc/63/77/58/672637758.db2.gz OFFBAJRVVATZOE-UHFFFAOYSA-N -1 0 348.381 -1.981 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)Cn2cccn2)c1[O-] ZINC001057354168 672637732 /nfs/dbraw/zinc/63/77/32/672637732.db2.gz OTXASEAVMRHIAI-UHFFFAOYSA-N -1 0 336.352 -1.129 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O)c1[O-] ZINC001057354201 672637776 /nfs/dbraw/zinc/63/77/76/672637776.db2.gz PTRURRDTGICBGW-MRVPVSSYSA-N -1 0 341.368 -1.514 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O)c1[O-] ZINC001057354202 672637787 /nfs/dbraw/zinc/63/77/87/672637787.db2.gz PTRURRDTGICBGW-QMMMGPOBSA-N -1 0 341.368 -1.514 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cc[n+]([O-])cc2)c1[O-] ZINC001057354204 672637779 /nfs/dbraw/zinc/63/77/79/672637779.db2.gz PZIIBCOKDXLOAY-UHFFFAOYSA-N -1 0 349.347 -1.078 20 0 EAADRM CC(=O)NCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354205 672637650 /nfs/dbraw/zinc/63/76/50/672637650.db2.gz QCIYXJNONSUUSG-UHFFFAOYSA-N -1 0 327.341 -1.889 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)CCCC(N)=O)c1[O-] ZINC001057354210 672637780 /nfs/dbraw/zinc/63/77/80/672637780.db2.gz QHBXUEHDALDRHQ-UHFFFAOYSA-N -1 0 341.368 -1.370 20 0 EAADRM Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354215 672637646 /nfs/dbraw/zinc/63/76/46/672637646.db2.gz QOLSYSOWNNMBNL-UHFFFAOYSA-N -1 0 337.340 -1.285 20 0 EAADRM Cc1nonc1C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354228 672637739 /nfs/dbraw/zinc/63/77/39/672637739.db2.gz QWEZEUUVSURHOM-UHFFFAOYSA-N -1 0 338.324 -1.020 20 0 EAADRM CNC(=O)CC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354238 672637806 /nfs/dbraw/zinc/63/78/06/672637806.db2.gz RBHLMSWGMUHMHU-UHFFFAOYSA-N -1 0 327.341 -1.889 20 0 EAADRM COCCOCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354253 672637743 /nfs/dbraw/zinc/63/77/43/672637743.db2.gz RIOPKXYWSCLMRW-UHFFFAOYSA-N -1 0 344.368 -1.363 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2COC(=O)N2)c1[O-] ZINC001057354258 672637772 /nfs/dbraw/zinc/63/77/72/672637772.db2.gz RPBYETSWKPJIGV-MRVPVSSYSA-N -1 0 341.324 -1.917 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2COC(=O)N2)c1[O-] ZINC001057354259 672637766 /nfs/dbraw/zinc/63/77/66/672637766.db2.gz RPBYETSWKPJIGV-QMMMGPOBSA-N -1 0 341.324 -1.917 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2COCCO2)c1[O-] ZINC001057354313 672637799 /nfs/dbraw/zinc/63/77/99/672637799.db2.gz TVINCKCEZOPBAQ-JTQLQIEISA-N -1 0 342.352 -1.610 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2COCCO2)c1[O-] ZINC001057354314 672637795 /nfs/dbraw/zinc/63/77/95/672637795.db2.gz TVINCKCEZOPBAQ-SNVBAGLBSA-N -1 0 342.352 -1.610 20 0 EAADRM CNC(=O)NCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354323 672637868 /nfs/dbraw/zinc/63/78/68/672637868.db2.gz UCSNCWZMQBFCBL-UHFFFAOYSA-N -1 0 342.356 -2.097 20 0 EAADRM CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354332 672637648 /nfs/dbraw/zinc/63/76/48/672637648.db2.gz UPOGDJAUMAXPSV-UHFFFAOYSA-N -1 0 341.368 -1.547 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C)c1[O-] ZINC001057354384 672637790 /nfs/dbraw/zinc/63/77/90/672637790.db2.gz VPFAEOMULRSOLG-LLVKDONJSA-N -1 0 328.369 -1.009 20 0 EAADRM CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354507 672637864 /nfs/dbraw/zinc/63/78/64/672637864.db2.gz WTZSQIYXXRMANG-SECBINFHSA-N -1 0 341.368 -1.501 20 0 EAADRM CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1[O-] ZINC001057354508 672637833 /nfs/dbraw/zinc/63/78/33/672637833.db2.gz WTZSQIYXXRMANG-VIFPVBQESA-N -1 0 341.368 -1.501 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)Cc2cc[nH]n2)c1[O-] ZINC001057354534 672637657 /nfs/dbraw/zinc/63/76/57/672637657.db2.gz XJURGCIXJAQDOK-UHFFFAOYSA-N -1 0 336.352 -1.060 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2nccnc2N)c1[O-] ZINC001057354586 672637698 /nfs/dbraw/zinc/63/76/98/672637698.db2.gz ZGKMZPITUOFDMJ-UHFFFAOYSA-N -1 0 349.351 -1.340 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)Cn2ncnn2)c1[O-] ZINC001057356759 672637841 /nfs/dbraw/zinc/63/78/41/672637841.db2.gz BDRKPZSQDMYZQM-UHFFFAOYSA-N -1 0 338.328 -2.339 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cnn(C)n2)c1[O-] ZINC001057356837 672637855 /nfs/dbraw/zinc/63/78/55/672637855.db2.gz CHUYERWFSNDWEC-UHFFFAOYSA-N -1 0 337.340 -1.583 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC(=O)N2)c1[O-] ZINC001057356919 672637851 /nfs/dbraw/zinc/63/78/51/672637851.db2.gz FSOWTZFENHLXGL-VIFPVBQESA-N -1 0 339.352 -1.747 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C2(C(N)=O)CC2)c1[O-] ZINC001057357149 672637769 /nfs/dbraw/zinc/63/77/69/672637769.db2.gz IWJJESIYMAGROD-UHFFFAOYSA-N -1 0 339.352 -1.760 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)c1[O-] ZINC001057357150 672637714 /nfs/dbraw/zinc/63/77/14/672637714.db2.gz IWTCRDJELRVDMJ-BDAKNGLRSA-N -1 0 339.352 -1.904 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)CC(=O)N(C)C)c1[O-] ZINC001057357168 672638352 /nfs/dbraw/zinc/63/83/52/672638352.db2.gz JJMIWGAKDBEZHM-UHFFFAOYSA-N -1 0 341.368 -1.547 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)Cn2nccn2)c1[O-] ZINC001057357186 672638283 /nfs/dbraw/zinc/63/82/83/672638283.db2.gz JSGJWYYTPQHYNG-UHFFFAOYSA-N -1 0 337.340 -1.734 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)Cc2c[nH]cn2)c1[O-] ZINC001057357320 672638152 /nfs/dbraw/zinc/63/81/52/672638152.db2.gz MNCKLYCSCVDQGH-UHFFFAOYSA-N -1 0 336.352 -1.060 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)Cc2ncc[nH]2)c1[O-] ZINC001057357330 672638300 /nfs/dbraw/zinc/63/83/00/672638300.db2.gz MXYWTXYAXKKWRQ-UHFFFAOYSA-N -1 0 336.352 -1.060 20 0 EAADRM Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O)c1[O-] ZINC001057357469 672638261 /nfs/dbraw/zinc/63/82/61/672638261.db2.gz QJQSFBXWKYGDSZ-UHFFFAOYSA-N -1 0 341.368 -1.514 20 0 EAADRM 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Cc1c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nnn1C ZINC001090159881 786218860 /nfs/dbraw/zinc/21/88/60/786218860.db2.gz XJROHORZVRCPJB-RKDXNWHRSA-N -1 0 336.356 -1.688 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001090173191 786219350 /nfs/dbraw/zinc/21/93/50/786219350.db2.gz ZZFZPXGHTUZMLU-PSASIEDQSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001090173192 786219668 /nfs/dbraw/zinc/21/96/68/786219668.db2.gz ZZFZPXGHTUZMLU-SCZZXKLOSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001090173193 786219960 /nfs/dbraw/zinc/21/99/60/786219960.db2.gz ZZFZPXGHTUZMLU-WCBMZHEXSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001090173194 786219574 /nfs/dbraw/zinc/21/95/74/786219574.db2.gz ZZFZPXGHTUZMLU-WPRPVWTQSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001090182478 786221449 /nfs/dbraw/zinc/22/14/49/786221449.db2.gz KZSKXFSAMFAMHT-NXEZZACHSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001090182479 786221363 /nfs/dbraw/zinc/22/13/63/786221363.db2.gz KZSKXFSAMFAMHT-UWVGGRQHSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001090182480 786222094 /nfs/dbraw/zinc/22/20/94/786222094.db2.gz KZSKXFSAMFAMHT-VHSXEESVSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001090182481 786221434 /nfs/dbraw/zinc/22/14/34/786221434.db2.gz KZSKXFSAMFAMHT-ZJUUUORDSA-N -1 0 334.336 -1.024 20 0 EAADRM Cc1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n[nH]1 ZINC001090184043 786223793 /nfs/dbraw/zinc/22/37/93/786223793.db2.gz CRSXOJDGHMMAQD-GHMZBOCLSA-N -1 0 335.368 -1.164 20 0 EAADRM Cc1cc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n[nH]1 ZINC001090184044 786223742 /nfs/dbraw/zinc/22/37/42/786223742.db2.gz CRSXOJDGHMMAQD-MNOVXSKESA-N -1 0 335.368 -1.164 20 0 EAADRM Cc1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n[nH]1 ZINC001090184045 786223908 /nfs/dbraw/zinc/22/39/08/786223908.db2.gz CRSXOJDGHMMAQD-QWRGUYRKSA-N -1 0 335.368 -1.164 20 0 EAADRM Cc1cc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n[nH]1 ZINC001090184046 786223755 /nfs/dbraw/zinc/22/37/55/786223755.db2.gz CRSXOJDGHMMAQD-WDEREUQCSA-N -1 0 335.368 -1.164 20 0 EAADRM O=C(CN1CN=NC1=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090198595 786231891 /nfs/dbraw/zinc/23/18/91/786231891.db2.gz ZTNZSVUQRPYMBD-HTQZYQBOSA-N -1 0 338.328 -2.441 20 0 EAADRM O=C(CN1CN=NC1=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090198596 786231745 /nfs/dbraw/zinc/23/17/45/786231745.db2.gz ZTNZSVUQRPYMBD-JGVFFNPUSA-N -1 0 338.328 -2.441 20 0 EAADRM O=C(CN1CN=NC1=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090198597 786231523 /nfs/dbraw/zinc/23/15/23/786231523.db2.gz ZTNZSVUQRPYMBD-SFYZADRCSA-N -1 0 338.328 -2.441 20 0 EAADRM O=C(CN1CN=NC1=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090198598 786232273 /nfs/dbraw/zinc/23/22/73/786232273.db2.gz ZTNZSVUQRPYMBD-YUMQZZPRSA-N -1 0 338.328 -2.441 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1[O-] ZINC001090198688 786231468 /nfs/dbraw/zinc/23/14/68/786231468.db2.gz AGDNTICZHYCJHX-NXEZZACHSA-N -1 0 325.369 -1.323 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)c1[O-] ZINC001090198689 786231798 /nfs/dbraw/zinc/23/17/98/786231798.db2.gz AGDNTICZHYCJHX-UWVGGRQHSA-N -1 0 325.369 -1.323 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1[O-] ZINC001090198690 786232061 /nfs/dbraw/zinc/23/20/61/786232061.db2.gz AGDNTICZHYCJHX-VHSXEESVSA-N -1 0 325.369 -1.323 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)c1[O-] ZINC001090198691 786231730 /nfs/dbraw/zinc/23/17/30/786231730.db2.gz AGDNTICZHYCJHX-ZJUUUORDSA-N -1 0 325.369 -1.323 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC001090198896 786231566 /nfs/dbraw/zinc/23/15/66/786231566.db2.gz CPKHCFKGVWIXRA-NXEZZACHSA-N -1 0 346.409 -1.367 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C[C@@H]2O)c1[O-] ZINC001090198897 786231639 /nfs/dbraw/zinc/23/16/39/786231639.db2.gz CPKHCFKGVWIXRA-UWVGGRQHSA-N -1 0 346.409 -1.367 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC001090198898 786231844 /nfs/dbraw/zinc/23/18/44/786231844.db2.gz CPKHCFKGVWIXRA-VHSXEESVSA-N -1 0 346.409 -1.367 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C[C@@H]2O)c1[O-] ZINC001090198899 786231963 /nfs/dbraw/zinc/23/19/63/786231963.db2.gz CPKHCFKGVWIXRA-ZJUUUORDSA-N -1 0 346.409 -1.367 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC001090199176 786232201 /nfs/dbraw/zinc/23/22/01/786232201.db2.gz FJAJAJUAFCDJNS-GHMZBOCLSA-N -1 0 337.380 -1.133 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC001090199177 786232001 /nfs/dbraw/zinc/23/20/01/786232001.db2.gz FJAJAJUAFCDJNS-MNOVXSKESA-N -1 0 337.380 -1.133 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC001090199178 786232036 /nfs/dbraw/zinc/23/20/36/786232036.db2.gz FJAJAJUAFCDJNS-QWRGUYRKSA-N -1 0 337.380 -1.133 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC001090199179 786232048 /nfs/dbraw/zinc/23/20/48/786232048.db2.gz FJAJAJUAFCDJNS-WDEREUQCSA-N -1 0 337.380 -1.133 20 0 EAADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncn1 ZINC001090199216 786232246 /nfs/dbraw/zinc/23/22/46/786232246.db2.gz GAQHETTYCVIFLE-GXSJLCMTSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncn1 ZINC001090199217 786232071 /nfs/dbraw/zinc/23/20/71/786232071.db2.gz GAQHETTYCVIFLE-KOLCDFICSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncn1 ZINC001090199218 786231502 /nfs/dbraw/zinc/23/15/02/786231502.db2.gz GAQHETTYCVIFLE-MWLCHTKSSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncn1 ZINC001090199219 786231932 /nfs/dbraw/zinc/23/19/32/786231932.db2.gz GAQHETTYCVIFLE-ONGXEEELSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C[C@@H]2O)c1[O-] ZINC001090199350 786230616 /nfs/dbraw/zinc/23/06/16/786230616.db2.gz HNVORGHRCIHHEU-BDAKNGLRSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C[C@H]2O)c1[O-] ZINC001090199351 786230711 /nfs/dbraw/zinc/23/07/11/786230711.db2.gz HNVORGHRCIHHEU-DTWKUNHWSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C[C@@H]2O)c1[O-] ZINC001090199352 786230664 /nfs/dbraw/zinc/23/06/64/786230664.db2.gz HNVORGHRCIHHEU-IUCAKERBSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C[C@H]2O)c1[O-] ZINC001090199353 786230636 /nfs/dbraw/zinc/23/06/36/786230636.db2.gz HNVORGHRCIHHEU-RKDXNWHRSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnn(C)n3)C[C@H]2O)c1[O-] ZINC001090199370 786230477 /nfs/dbraw/zinc/23/04/77/786230477.db2.gz HTNYHKVERDMQGM-GHMZBOCLSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC001090199371 786230656 /nfs/dbraw/zinc/23/06/56/786230656.db2.gz HTNYHKVERDMQGM-MNOVXSKESA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnn(C)n3)C[C@@H]2O)c1[O-] ZINC001090199372 786230700 /nfs/dbraw/zinc/23/07/00/786230700.db2.gz HTNYHKVERDMQGM-QWRGUYRKSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnn(C)n3)C[C@H]2O)c1[O-] ZINC001090199373 786230633 /nfs/dbraw/zinc/23/06/33/786230633.db2.gz HTNYHKVERDMQGM-WDEREUQCSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C[C@@H]2O)c1[O-] ZINC001090199602 786230404 /nfs/dbraw/zinc/23/04/04/786230404.db2.gz JDHNTPBLVQYJQX-BDAKNGLRSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nnnn3C)C[C@H]2O)c1[O-] ZINC001090199603 786231041 /nfs/dbraw/zinc/23/10/41/786231041.db2.gz JDHNTPBLVQYJQX-DTWKUNHWSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nnnn3C)C[C@@H]2O)c1[O-] ZINC001090199607 786230832 /nfs/dbraw/zinc/23/08/32/786230832.db2.gz JDHNTPBLVQYJQX-IUCAKERBSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C[C@H]2O)c1[O-] ZINC001090199610 786230853 /nfs/dbraw/zinc/23/08/53/786230853.db2.gz JDHNTPBLVQYJQX-RKDXNWHRSA-N -1 0 336.356 -1.688 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nncn3C)C[C@H]2O)c1[O-] ZINC001090199867 786231943 /nfs/dbraw/zinc/23/19/43/786231943.db2.gz KSZROZKQDDUGQL-NXEZZACHSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nncn3C)C[C@@H]2O)c1[O-] ZINC001090199868 786232017 /nfs/dbraw/zinc/23/20/17/786232017.db2.gz KSZROZKQDDUGQL-UWVGGRQHSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nncn3C)C[C@H]2O)c1[O-] ZINC001090199870 786232012 /nfs/dbraw/zinc/23/20/12/786232012.db2.gz KSZROZKQDDUGQL-VHSXEESVSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nncn3C)C[C@@H]2O)c1[O-] ZINC001090199873 786232266 /nfs/dbraw/zinc/23/22/66/786232266.db2.gz KSZROZKQDDUGQL-ZJUUUORDSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC001090200007 786232402 /nfs/dbraw/zinc/23/24/02/786232402.db2.gz LJBPFMSHRBPFMR-GHMZBOCLSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001090200008 786231688 /nfs/dbraw/zinc/23/16/88/786231688.db2.gz LJBPFMSHRBPFMR-MNOVXSKESA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001090200009 786231485 /nfs/dbraw/zinc/23/14/85/786231485.db2.gz LJBPFMSHRBPFMR-QWRGUYRKSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC001090200010 786231419 /nfs/dbraw/zinc/23/14/19/786231419.db2.gz LJBPFMSHRBPFMR-WDEREUQCSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C[C@H]2O)c1[O-] ZINC001090200337 786231647 /nfs/dbraw/zinc/23/16/47/786231647.db2.gz MYQUNFAIQLIOQC-GHMZBOCLSA-N -1 0 337.380 -1.179 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C[C@@H]2O)c1[O-] ZINC001090200345 786232022 /nfs/dbraw/zinc/23/20/22/786232022.db2.gz MYQUNFAIQLIOQC-MNOVXSKESA-N -1 0 337.380 -1.179 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C[C@@H]2O)c1[O-] ZINC001090200347 786232375 /nfs/dbraw/zinc/23/23/75/786232375.db2.gz MYQUNFAIQLIOQC-QWRGUYRKSA-N -1 0 337.380 -1.179 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C[C@H]2O)c1[O-] ZINC001090200352 786232153 /nfs/dbraw/zinc/23/21/53/786232153.db2.gz MYQUNFAIQLIOQC-WDEREUQCSA-N -1 0 337.380 -1.179 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ncnn3C)C[C@H]2O)c1[O-] ZINC001090201134 786233571 /nfs/dbraw/zinc/23/35/71/786233571.db2.gz QJDAVZHVPNBQCV-NXEZZACHSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ncnn3C)C[C@@H]2O)c1[O-] ZINC001090201137 786233356 /nfs/dbraw/zinc/23/33/56/786233356.db2.gz QJDAVZHVPNBQCV-UWVGGRQHSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ncnn3C)C[C@H]2O)c1[O-] ZINC001090201140 786233125 /nfs/dbraw/zinc/23/31/25/786233125.db2.gz QJDAVZHVPNBQCV-VHSXEESVSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ncnn3C)C[C@@H]2O)c1[O-] ZINC001090201143 786233442 /nfs/dbraw/zinc/23/34/42/786233442.db2.gz QJDAVZHVPNBQCV-ZJUUUORDSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cn(C)nn3)C[C@H]2O)c1[O-] ZINC001090202422 786233276 /nfs/dbraw/zinc/23/32/76/786233276.db2.gz XMPRXWHRXSCMBH-GHMZBOCLSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3cn(C)nn3)C[C@@H]2O)c1[O-] ZINC001090202423 786233438 /nfs/dbraw/zinc/23/34/38/786233438.db2.gz XMPRXWHRXSCMBH-MNOVXSKESA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cn(C)nn3)C[C@@H]2O)c1[O-] ZINC001090202424 786233286 /nfs/dbraw/zinc/23/32/86/786233286.db2.gz XMPRXWHRXSCMBH-QWRGUYRKSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3cn(C)nn3)C[C@H]2O)c1[O-] ZINC001090202425 786232780 /nfs/dbraw/zinc/23/27/80/786232780.db2.gz XMPRXWHRXSCMBH-WDEREUQCSA-N -1 0 335.368 -1.083 20 0 EAADRM O=C(CN1CCOCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090203161 786234274 /nfs/dbraw/zinc/23/42/74/786234274.db2.gz FMIHKQXJZGWVTC-GHMZBOCLSA-N -1 0 340.384 -2.106 20 0 EAADRM O=C(CN1CCOCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090203163 786234646 /nfs/dbraw/zinc/23/46/46/786234646.db2.gz FMIHKQXJZGWVTC-MNOVXSKESA-N -1 0 340.384 -2.106 20 0 EAADRM O=C(CN1CCOCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090203165 786234655 /nfs/dbraw/zinc/23/46/55/786234655.db2.gz FMIHKQXJZGWVTC-QWRGUYRKSA-N -1 0 340.384 -2.106 20 0 EAADRM O=C(CN1CCOCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090203166 786234754 /nfs/dbraw/zinc/23/47/54/786234754.db2.gz FMIHKQXJZGWVTC-WDEREUQCSA-N -1 0 340.384 -2.106 20 0 EAADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC001090205677 786235789 /nfs/dbraw/zinc/23/57/89/786235789.db2.gz HVLHVQSMNCOSOI-HTQZYQBOSA-N -1 0 338.324 -1.128 20 0 EAADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)on1 ZINC001090205678 786236216 /nfs/dbraw/zinc/23/62/16/786236216.db2.gz HVLHVQSMNCOSOI-JGVFFNPUSA-N -1 0 338.324 -1.128 20 0 EAADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001090205679 786235472 /nfs/dbraw/zinc/23/54/72/786235472.db2.gz HVLHVQSMNCOSOI-SFYZADRCSA-N -1 0 338.324 -1.128 20 0 EAADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)on1 ZINC001090205680 786236141 /nfs/dbraw/zinc/23/61/41/786236141.db2.gz HVLHVQSMNCOSOI-YUMQZZPRSA-N -1 0 338.324 -1.128 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncccc1O ZINC001090216723 786238448 /nfs/dbraw/zinc/23/84/48/786238448.db2.gz OHMVXDZILGQWIH-PSASIEDQSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1O ZINC001090216726 786238016 /nfs/dbraw/zinc/23/80/16/786238016.db2.gz OHMVXDZILGQWIH-SCZZXKLOSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncccc1O ZINC001090216729 786238813 /nfs/dbraw/zinc/23/88/13/786238813.db2.gz OHMVXDZILGQWIH-WCBMZHEXSA-N -1 0 334.336 -1.024 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncccc1O ZINC001090216732 786238803 /nfs/dbraw/zinc/23/88/03/786238803.db2.gz OHMVXDZILGQWIH-WPRPVWTQSA-N -1 0 334.336 -1.024 20 0 EAADRM Cn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1N ZINC001090218442 786239853 /nfs/dbraw/zinc/23/98/53/786239853.db2.gz VBAFGIBCUCZAEZ-BDAKNGLRSA-N -1 0 336.356 -1.809 20 0 EAADRM Cn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1N ZINC001090218443 786240257 /nfs/dbraw/zinc/24/02/57/786240257.db2.gz VBAFGIBCUCZAEZ-DTWKUNHWSA-N -1 0 336.356 -1.809 20 0 EAADRM Cn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)c1N ZINC001090218444 786240269 /nfs/dbraw/zinc/24/02/69/786240269.db2.gz VBAFGIBCUCZAEZ-IUCAKERBSA-N -1 0 336.356 -1.809 20 0 EAADRM Cn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)c1N ZINC001090218445 786239644 /nfs/dbraw/zinc/23/96/44/786239644.db2.gz VBAFGIBCUCZAEZ-RKDXNWHRSA-N -1 0 336.356 -1.809 20 0 EAADRM CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001090219303 786239598 /nfs/dbraw/zinc/23/95/98/786239598.db2.gz NVFYPNCBQSKBHS-GHMZBOCLSA-N -1 0 338.368 -1.960 20 0 EAADRM CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001090219304 786240164 /nfs/dbraw/zinc/24/01/64/786240164.db2.gz NVFYPNCBQSKBHS-MNOVXSKESA-N -1 0 338.368 -1.960 20 0 EAADRM CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001090219305 786240004 /nfs/dbraw/zinc/24/00/04/786240004.db2.gz NVFYPNCBQSKBHS-QWRGUYRKSA-N -1 0 338.368 -1.960 20 0 EAADRM CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1 ZINC001090219306 786240215 /nfs/dbraw/zinc/24/02/15/786240215.db2.gz NVFYPNCBQSKBHS-WDEREUQCSA-N -1 0 338.368 -1.960 20 0 EAADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cnn1 ZINC001090221263 786241270 /nfs/dbraw/zinc/24/12/70/786241270.db2.gz JTTZIURSZVPESA-GHMZBOCLSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cnn1 ZINC001090221264 786241516 /nfs/dbraw/zinc/24/15/16/786241516.db2.gz JTTZIURSZVPESA-MNOVXSKESA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cnn1 ZINC001090221265 786241259 /nfs/dbraw/zinc/24/12/59/786241259.db2.gz JTTZIURSZVPESA-QWRGUYRKSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cnn1 ZINC001090221266 786241461 /nfs/dbraw/zinc/24/14/61/786241461.db2.gz JTTZIURSZVPESA-WDEREUQCSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1cc(C(=O)N[C@@H]2CCN(Cc3nn(C)c(=O)[n-]3)C[C@H]2O)cnn1 ZINC001090222525 786241107 /nfs/dbraw/zinc/24/11/07/786241107.db2.gz UMEHZGRGEXQQMQ-VXGBXAGGSA-N -1 0 347.379 -1.428 20 0 EAADRM Cn1nccc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090224565 786242466 /nfs/dbraw/zinc/24/24/66/786242466.db2.gz BMEUWOVVRHOLHL-GHMZBOCLSA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1nccc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090224566 786241797 /nfs/dbraw/zinc/24/17/97/786241797.db2.gz BMEUWOVVRHOLHL-MNOVXSKESA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1nccc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090224567 786242456 /nfs/dbraw/zinc/24/24/56/786242456.db2.gz BMEUWOVVRHOLHL-QWRGUYRKSA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1nccc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090224568 786241814 /nfs/dbraw/zinc/24/18/14/786241814.db2.gz BMEUWOVVRHOLHL-WDEREUQCSA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1oc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1=O ZINC001090225562 786242242 /nfs/dbraw/zinc/24/22/42/786242242.db2.gz PCLIKVWSHKLDKU-HTQZYQBOSA-N -1 0 338.324 -1.833 20 0 EAADRM Cn1oc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1=O ZINC001090225566 786242281 /nfs/dbraw/zinc/24/22/81/786242281.db2.gz PCLIKVWSHKLDKU-JGVFFNPUSA-N -1 0 338.324 -1.833 20 0 EAADRM Cn1oc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1=O ZINC001090225567 786242121 /nfs/dbraw/zinc/24/21/21/786242121.db2.gz PCLIKVWSHKLDKU-SFYZADRCSA-N -1 0 338.324 -1.833 20 0 EAADRM Cn1oc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1=O ZINC001090225569 786242659 /nfs/dbraw/zinc/24/26/59/786242659.db2.gz PCLIKVWSHKLDKU-YUMQZZPRSA-N -1 0 338.324 -1.833 20 0 EAADRM Cn1[nH]c(CN2CC[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)nc1=O ZINC001090229894 786242525 /nfs/dbraw/zinc/24/25/25/786242525.db2.gz FQEASIUGGFDQNA-NEPJUHHUSA-N -1 0 347.379 -1.808 20 0 EAADRM O=C(Cc1cncnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090230799 786243656 /nfs/dbraw/zinc/24/36/56/786243656.db2.gz LSFPFDCFGZKLTD-GHMZBOCLSA-N -1 0 333.352 -1.406 20 0 EAADRM O=C(Cc1cncnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090230802 786243855 /nfs/dbraw/zinc/24/38/55/786243855.db2.gz LSFPFDCFGZKLTD-MNOVXSKESA-N -1 0 333.352 -1.406 20 0 EAADRM O=C(Cc1cncnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090230805 786243225 /nfs/dbraw/zinc/24/32/25/786243225.db2.gz LSFPFDCFGZKLTD-QWRGUYRKSA-N -1 0 333.352 -1.406 20 0 EAADRM O=C(Cc1cncnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090230808 786243606 /nfs/dbraw/zinc/24/36/06/786243606.db2.gz LSFPFDCFGZKLTD-WDEREUQCSA-N -1 0 333.352 -1.406 20 0 EAADRM Cc1ccnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001090232058 786245115 /nfs/dbraw/zinc/24/51/15/786245115.db2.gz RNCOQKQTRWTUKQ-NXEZZACHSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1ccnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001090232059 786244502 /nfs/dbraw/zinc/24/45/02/786244502.db2.gz RNCOQKQTRWTUKQ-UWVGGRQHSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1ccnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001090232060 786245126 /nfs/dbraw/zinc/24/51/26/786245126.db2.gz RNCOQKQTRWTUKQ-VHSXEESVSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1ccnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001090232061 786244732 /nfs/dbraw/zinc/24/47/32/786244732.db2.gz RNCOQKQTRWTUKQ-ZJUUUORDSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001090240775 786247937 /nfs/dbraw/zinc/24/79/37/786247937.db2.gz OIZOSIJNVLDFGA-BDAKNGLRSA-N -1 0 337.340 -1.504 20 0 EAADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001090240776 786248281 /nfs/dbraw/zinc/24/82/81/786248281.db2.gz OIZOSIJNVLDFGA-DTWKUNHWSA-N -1 0 337.340 -1.504 20 0 EAADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)o1 ZINC001090240777 786248481 /nfs/dbraw/zinc/24/84/81/786248481.db2.gz OIZOSIJNVLDFGA-IUCAKERBSA-N -1 0 337.340 -1.504 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)o1 ZINC001090240778 786248230 /nfs/dbraw/zinc/24/82/30/786248230.db2.gz OIZOSIJNVLDFGA-RKDXNWHRSA-N -1 0 337.340 -1.504 20 0 EAADRM CCn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001090249123 786250543 /nfs/dbraw/zinc/25/05/43/786250543.db2.gz LOZOFFFETIOHSR-PSASIEDQSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001090249124 786250828 /nfs/dbraw/zinc/25/08/28/786250828.db2.gz LOZOFFFETIOHSR-SCZZXKLOSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001090249125 786251394 /nfs/dbraw/zinc/25/13/94/786251394.db2.gz LOZOFFFETIOHSR-WCBMZHEXSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001090249126 786251314 /nfs/dbraw/zinc/25/13/14/786251314.db2.gz LOZOFFFETIOHSR-WPRPVWTQSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1nncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090249171 786252218 /nfs/dbraw/zinc/25/22/18/786252218.db2.gz MOTXIQOUWVWCOP-PSASIEDQSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1nncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090249172 786251591 /nfs/dbraw/zinc/25/15/91/786251591.db2.gz MOTXIQOUWVWCOP-SCZZXKLOSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1nncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090249173 786251645 /nfs/dbraw/zinc/25/16/45/786251645.db2.gz MOTXIQOUWVWCOP-WCBMZHEXSA-N -1 0 336.356 -1.513 20 0 EAADRM CCn1nncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090249174 786251265 /nfs/dbraw/zinc/25/12/65/786251265.db2.gz MOTXIQOUWVWCOP-WPRPVWTQSA-N -1 0 336.356 -1.513 20 0 EAADRM Cc1cn(C)nc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090258098 786253987 /nfs/dbraw/zinc/25/39/87/786253987.db2.gz CVRRKLXALXTJQQ-NXEZZACHSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1cn(C)nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090258099 786254245 /nfs/dbraw/zinc/25/42/45/786254245.db2.gz CVRRKLXALXTJQQ-UWVGGRQHSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1cn(C)nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090258102 786253905 /nfs/dbraw/zinc/25/39/05/786253905.db2.gz CVRRKLXALXTJQQ-VHSXEESVSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1cn(C)nc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090258105 786254061 /nfs/dbraw/zinc/25/40/61/786254061.db2.gz CVRRKLXALXTJQQ-ZJUUUORDSA-N -1 0 335.368 -1.083 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)[nH]1 ZINC001090259403 786264749 /nfs/dbraw/zinc/26/47/49/786264749.db2.gz UGLCWCFTGGZTKI-BDAKNGLRSA-N -1 0 336.356 -1.769 20 0 EAADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)[nH]1 ZINC001090259405 786264848 /nfs/dbraw/zinc/26/48/48/786264848.db2.gz UGLCWCFTGGZTKI-DTWKUNHWSA-N -1 0 336.356 -1.769 20 0 EAADRM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)[nH]1 ZINC001090259407 786264814 /nfs/dbraw/zinc/26/48/14/786264814.db2.gz UGLCWCFTGGZTKI-IUCAKERBSA-N -1 0 336.356 -1.769 20 0 EAADRM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)[nH]1 ZINC001090259409 786264309 /nfs/dbraw/zinc/26/43/09/786264309.db2.gz UGLCWCFTGGZTKI-RKDXNWHRSA-N -1 0 336.356 -1.769 20 0 EAADRM Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nn1 ZINC001090262554 786266417 /nfs/dbraw/zinc/26/64/17/786266417.db2.gz SPQXJGNPHBXHGB-GXSJLCMTSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)nn1 ZINC001090262555 786266663 /nfs/dbraw/zinc/26/66/63/786266663.db2.gz SPQXJGNPHBXHGB-KOLCDFICSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)nn1 ZINC001090262556 786266739 /nfs/dbraw/zinc/26/67/39/786266739.db2.gz SPQXJGNPHBXHGB-MWLCHTKSSA-N -1 0 333.352 -1.026 20 0 EAADRM Cc1ccc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)nn1 ZINC001090262557 786266347 /nfs/dbraw/zinc/26/63/47/786266347.db2.gz SPQXJGNPHBXHGB-ONGXEEELSA-N -1 0 333.352 -1.026 20 0 EAADRM Cn1ccc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001090263138 786267091 /nfs/dbraw/zinc/26/70/91/786267091.db2.gz VJPAMGOGSYVFMN-GHMZBOCLSA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1ccc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001090263143 786267494 /nfs/dbraw/zinc/26/74/94/786267494.db2.gz VJPAMGOGSYVFMN-MNOVXSKESA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1ccc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001090263150 786267610 /nfs/dbraw/zinc/26/76/10/786267610.db2.gz VJPAMGOGSYVFMN-QWRGUYRKSA-N -1 0 335.368 -1.462 20 0 EAADRM Cn1ccc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001090263152 786267640 /nfs/dbraw/zinc/26/76/40/786267640.db2.gz VJPAMGOGSYVFMN-WDEREUQCSA-N -1 0 335.368 -1.462 20 0 EAADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncn1 ZINC001090270935 786274004 /nfs/dbraw/zinc/27/40/04/786274004.db2.gz CYXZOUINHUQWGH-PSASIEDQSA-N -1 0 349.351 -1.326 20 0 EAADRM COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncn1 ZINC001090270936 786274014 /nfs/dbraw/zinc/27/40/14/786274014.db2.gz CYXZOUINHUQWGH-SCZZXKLOSA-N -1 0 349.351 -1.326 20 0 EAADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)ncn1 ZINC001090270939 786273673 /nfs/dbraw/zinc/27/36/73/786273673.db2.gz CYXZOUINHUQWGH-WCBMZHEXSA-N -1 0 349.351 -1.326 20 0 EAADRM COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)ncn1 ZINC001090270941 786273684 /nfs/dbraw/zinc/27/36/84/786273684.db2.gz CYXZOUINHUQWGH-WPRPVWTQSA-N -1 0 349.351 -1.326 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090292701 786288499 /nfs/dbraw/zinc/28/84/99/786288499.db2.gz PILTYUIYNYYOSG-BDAKNGLRSA-N -1 0 345.381 -2.394 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090292702 786288536 /nfs/dbraw/zinc/28/85/36/786288536.db2.gz PILTYUIYNYYOSG-DTWKUNHWSA-N -1 0 345.381 -2.394 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090292703 786288364 /nfs/dbraw/zinc/28/83/64/786288364.db2.gz PILTYUIYNYYOSG-IUCAKERBSA-N -1 0 345.381 -2.394 20 0 EAADRM O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090292704 786288114 /nfs/dbraw/zinc/28/81/14/786288114.db2.gz PILTYUIYNYYOSG-RKDXNWHRSA-N -1 0 345.381 -2.394 20 0 EAADRM Cc1c(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cnn1C ZINC001090312596 786292587 /nfs/dbraw/zinc/29/25/87/786292587.db2.gz KJERMVGZRDANLM-NEPJUHHUSA-N -1 0 349.395 -1.154 20 0 EAADRM 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ZINC001090326015 786296008 /nfs/dbraw/zinc/29/60/08/786296008.db2.gz GVAWIERQCWZRBN-WCBMZHEXSA-N -1 0 349.351 -1.536 20 0 EAADRM O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC001090326016 786295492 /nfs/dbraw/zinc/29/54/92/786295492.db2.gz GVAWIERQCWZRBN-WPRPVWTQSA-N -1 0 349.351 -1.536 20 0 EAADRM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090332282 786296395 /nfs/dbraw/zinc/29/63/95/786296395.db2.gz VLBXYNKYDHWUIY-NEPJUHHUSA-N -1 0 349.395 -1.154 20 0 EAADRM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090332283 786297044 /nfs/dbraw/zinc/29/70/44/786297044.db2.gz VLBXYNKYDHWUIY-NWDGAFQWSA-N -1 0 349.395 -1.154 20 0 EAADRM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090332284 786296851 /nfs/dbraw/zinc/29/68/51/786296851.db2.gz VLBXYNKYDHWUIY-RYUDHWBXSA-N -1 0 349.395 -1.154 20 0 EAADRM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090332285 786297050 /nfs/dbraw/zinc/29/70/50/786297050.db2.gz VLBXYNKYDHWUIY-VXGBXAGGSA-N -1 0 349.395 -1.154 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1=O ZINC001090336627 786297876 /nfs/dbraw/zinc/29/78/76/786297876.db2.gz KCRLVGLPJNMETI-PSASIEDQSA-N -1 0 349.351 -2.031 20 0 EAADRM Cn1cnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1=O ZINC001090336628 786298840 /nfs/dbraw/zinc/29/88/40/786298840.db2.gz KCRLVGLPJNMETI-SCZZXKLOSA-N -1 0 349.351 -2.031 20 0 EAADRM Cn1cnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)cc1=O ZINC001090336629 786298599 /nfs/dbraw/zinc/29/85/99/786298599.db2.gz KCRLVGLPJNMETI-WCBMZHEXSA-N -1 0 349.351 -2.031 20 0 EAADRM Cn1cnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)cc1=O ZINC001090336630 786298625 /nfs/dbraw/zinc/29/86/25/786298625.db2.gz KCRLVGLPJNMETI-WPRPVWTQSA-N -1 0 349.351 -2.031 20 0 EAADRM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090339469 786298274 /nfs/dbraw/zinc/29/82/74/786298274.db2.gz RJJLEXJRORHFNS-NXEZZACHSA-N -1 0 335.368 -1.083 20 0 EAADRM 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CAVRWOUKPVQBKY-WDEREUQCSA-N -1 0 348.363 -2.051 20 0 EAADRM O=C(CCc1nnc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099763711 792151052 /nfs/dbraw/zinc/15/10/52/792151052.db2.gz JQVYCOKWERROSL-BDAKNGLRSA-N -1 0 336.356 -1.687 20 0 EAADRM O=C(CCc1nnc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099763712 792150081 /nfs/dbraw/zinc/15/00/81/792150081.db2.gz JQVYCOKWERROSL-DTWKUNHWSA-N -1 0 336.356 -1.687 20 0 EAADRM O=C(CCc1nnc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099763713 792150342 /nfs/dbraw/zinc/15/03/42/792150342.db2.gz JQVYCOKWERROSL-IUCAKERBSA-N -1 0 336.356 -1.687 20 0 EAADRM O=C(CCc1nnc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099763714 792150479 /nfs/dbraw/zinc/15/04/79/792150479.db2.gz JQVYCOKWERROSL-RKDXNWHRSA-N -1 0 336.356 -1.687 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001099770998 792154489 /nfs/dbraw/zinc/15/44/89/792154489.db2.gz AARDXXQPDAGXEO-HTQZYQBOSA-N -1 0 340.340 -2.216 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001099770999 792152833 /nfs/dbraw/zinc/15/28/33/792152833.db2.gz AARDXXQPDAGXEO-JGVFFNPUSA-N -1 0 340.340 -2.216 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)c1[O-] ZINC001099771000 792153215 /nfs/dbraw/zinc/15/32/15/792153215.db2.gz AARDXXQPDAGXEO-SFYZADRCSA-N -1 0 340.340 -2.216 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)c1[O-] ZINC001099771001 792154126 /nfs/dbraw/zinc/15/41/26/792154126.db2.gz AARDXXQPDAGXEO-YUMQZZPRSA-N -1 0 340.340 -2.216 20 0 EAADRM CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773206 792153566 /nfs/dbraw/zinc/15/35/66/792153566.db2.gz QWXNYISSZIOMLB-NXEZZACHSA-N -1 0 325.369 -1.275 20 0 EAADRM CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773212 792153403 /nfs/dbraw/zinc/15/34/03/792153403.db2.gz QWXNYISSZIOMLB-UWVGGRQHSA-N -1 0 325.369 -1.275 20 0 EAADRM CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773214 792152783 /nfs/dbraw/zinc/15/27/83/792152783.db2.gz QWXNYISSZIOMLB-VHSXEESVSA-N -1 0 325.369 -1.275 20 0 EAADRM CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773216 792153867 /nfs/dbraw/zinc/15/38/67/792153867.db2.gz QWXNYISSZIOMLB-ZJUUUORDSA-N -1 0 325.369 -1.275 20 0 EAADRM C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ccc2nnnn2n1 ZINC001099787796 792160516 /nfs/dbraw/zinc/16/05/16/792160516.db2.gz APEJEKSUFCOUJB-LURJTMIESA-N -1 0 346.311 -1.264 20 0 EAADRM C[C@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ccc2nnnn2n1 ZINC001099787797 792160478 /nfs/dbraw/zinc/16/04/78/792160478.db2.gz APEJEKSUFCOUJB-ZCFIWIBFSA-N -1 0 346.311 -1.264 20 0 EAADRM C[C@@H](CCNC(=O)c1nnc(=O)[nH]c1[O-])Nc1nccn2nnnc12 ZINC001099789328 792162414 /nfs/dbraw/zinc/16/24/14/792162414.db2.gz WWQLUJUZCODWCX-LURJTMIESA-N -1 0 346.311 -1.264 20 0 EAADRM C[C@H](CCNC(=O)c1nnc(=O)[nH]c1[O-])Nc1nccn2nnnc12 ZINC001099789329 792161734 /nfs/dbraw/zinc/16/17/34/792161734.db2.gz WWQLUJUZCODWCX-ZCFIWIBFSA-N -1 0 346.311 -1.264 20 0 EAADRM CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099796684 792174466 /nfs/dbraw/zinc/17/44/66/792174466.db2.gz HYPCYZMGTMDFPK-BDAKNGLRSA-N -1 0 326.357 -1.912 20 0 EAADRM CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099796685 792174988 /nfs/dbraw/zinc/17/49/88/792174988.db2.gz HYPCYZMGTMDFPK-DTWKUNHWSA-N -1 0 326.357 -1.912 20 0 EAADRM CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099796686 792174255 /nfs/dbraw/zinc/17/42/55/792174255.db2.gz HYPCYZMGTMDFPK-IUCAKERBSA-N -1 0 326.357 -1.912 20 0 EAADRM CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099796687 792175349 /nfs/dbraw/zinc/17/53/49/792175349.db2.gz HYPCYZMGTMDFPK-RKDXNWHRSA-N -1 0 326.357 -1.912 20 0 EAADRM CNC(=O)CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099797548 792176147 /nfs/dbraw/zinc/17/61/47/792176147.db2.gz VKONCCXQZVPDQZ-NXEZZACHSA-N -1 0 340.384 -1.522 20 0 EAADRM CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099797549 792177316 /nfs/dbraw/zinc/17/73/16/792177316.db2.gz VKONCCXQZVPDQZ-UWVGGRQHSA-N -1 0 340.384 -1.522 20 0 EAADRM CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099797550 792177111 /nfs/dbraw/zinc/17/71/11/792177111.db2.gz VKONCCXQZVPDQZ-VHSXEESVSA-N -1 0 340.384 -1.522 20 0 EAADRM CNC(=O)CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099797551 792176721 /nfs/dbraw/zinc/17/67/21/792176721.db2.gz VKONCCXQZVPDQZ-ZJUUUORDSA-N -1 0 340.384 -1.522 20 0 EAADRM O=C(CCn1ccnn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099799078 792177343 /nfs/dbraw/zinc/17/73/43/792177343.db2.gz IAHHPLLLQZXXRB-NXEZZACHSA-N -1 0 336.356 -1.757 20 0 EAADRM O=C(CCn1ccnn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099799079 792176947 /nfs/dbraw/zinc/17/69/47/792176947.db2.gz IAHHPLLLQZXXRB-UWVGGRQHSA-N -1 0 336.356 -1.757 20 0 EAADRM O=C(CCn1ccnn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099799080 792176933 /nfs/dbraw/zinc/17/69/33/792176933.db2.gz IAHHPLLLQZXXRB-VHSXEESVSA-N -1 0 336.356 -1.757 20 0 EAADRM O=C(CCn1ccnn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099799081 792177149 /nfs/dbraw/zinc/17/71/49/792177149.db2.gz IAHHPLLLQZXXRB-ZJUUUORDSA-N -1 0 336.356 -1.757 20 0 EAADRM O=C(CCc1ncc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099804920 792184448 /nfs/dbraw/zinc/18/44/48/792184448.db2.gz URRKUXWPGYLMPO-NXEZZACHSA-N -1 0 335.368 -1.082 20 0 EAADRM O=C(CCc1ncc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099804921 792183817 /nfs/dbraw/zinc/18/38/17/792183817.db2.gz URRKUXWPGYLMPO-UWVGGRQHSA-N -1 0 335.368 -1.082 20 0 EAADRM O=C(CCc1ncc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099804922 792183859 /nfs/dbraw/zinc/18/38/59/792183859.db2.gz URRKUXWPGYLMPO-VHSXEESVSA-N -1 0 335.368 -1.082 20 0 EAADRM O=C(CCc1ncc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099804923 792183803 /nfs/dbraw/zinc/18/38/03/792183803.db2.gz URRKUXWPGYLMPO-ZJUUUORDSA-N -1 0 335.368 -1.082 20 0 EAADRM CNC(=O)NCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099813350 792187949 /nfs/dbraw/zinc/18/79/49/792187949.db2.gz NUSGHKQPEHFBBP-BDAKNGLRSA-N -1 0 341.372 -2.119 20 0 EAADRM CNC(=O)NCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099813351 792188326 /nfs/dbraw/zinc/18/83/26/792188326.db2.gz NUSGHKQPEHFBBP-DTWKUNHWSA-N -1 0 341.372 -2.119 20 0 EAADRM CNC(=O)NCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099813352 792188146 /nfs/dbraw/zinc/18/81/46/792188146.db2.gz NUSGHKQPEHFBBP-IUCAKERBSA-N -1 0 341.372 -2.119 20 0 EAADRM CNC(=O)NCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099813353 792188247 /nfs/dbraw/zinc/18/82/47/792188247.db2.gz NUSGHKQPEHFBBP-RKDXNWHRSA-N -1 0 341.372 -2.119 20 0 EAADRM O=C(CC1(O)CCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099823536 792189874 /nfs/dbraw/zinc/18/98/74/792189874.db2.gz FCLIBPAWHXJHNL-NXEZZACHSA-N -1 0 325.369 -1.133 20 0 EAADRM O=C(CC1(O)CCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099823537 792189766 /nfs/dbraw/zinc/18/97/66/792189766.db2.gz FCLIBPAWHXJHNL-UWVGGRQHSA-N -1 0 325.369 -1.133 20 0 EAADRM O=C(CC1(O)CCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099823538 792190203 /nfs/dbraw/zinc/19/02/03/792190203.db2.gz FCLIBPAWHXJHNL-VHSXEESVSA-N -1 0 325.369 -1.133 20 0 EAADRM O=C(CC1(O)CCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099823539 792190021 /nfs/dbraw/zinc/19/00/21/792190021.db2.gz FCLIBPAWHXJHNL-ZJUUUORDSA-N -1 0 325.369 -1.133 20 0 EAADRM O=C(CCc1ccncn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099855932 792200322 /nfs/dbraw/zinc/20/03/22/792200322.db2.gz PNBFVOCDBMYARF-NEPJUHHUSA-N -1 0 347.379 -1.016 20 0 EAADRM O=C(CCc1ccncn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099855933 792200910 /nfs/dbraw/zinc/20/09/10/792200910.db2.gz PNBFVOCDBMYARF-NWDGAFQWSA-N -1 0 347.379 -1.016 20 0 EAADRM O=C(CCc1ccncn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099855934 792200374 /nfs/dbraw/zinc/20/03/74/792200374.db2.gz PNBFVOCDBMYARF-RYUDHWBXSA-N -1 0 347.379 -1.016 20 0 EAADRM O=C(CCc1ccncn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099855935 792201408 /nfs/dbraw/zinc/20/14/08/792201408.db2.gz PNBFVOCDBMYARF-VXGBXAGGSA-N -1 0 347.379 -1.016 20 0 EAADRM Cn1ccc(CCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001099857822 792200108 /nfs/dbraw/zinc/20/01/08/792200108.db2.gz CPMZNVDQENVFBG-NEPJUHHUSA-N -1 0 349.395 -1.072 20 0 EAADRM Cn1ccc(CCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001099857823 792200645 /nfs/dbraw/zinc/20/06/45/792200645.db2.gz CPMZNVDQENVFBG-NWDGAFQWSA-N -1 0 349.395 -1.072 20 0 EAADRM Cn1ccc(CCC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n1 ZINC001099857824 792200891 /nfs/dbraw/zinc/20/08/91/792200891.db2.gz CPMZNVDQENVFBG-RYUDHWBXSA-N -1 0 349.395 -1.072 20 0 EAADRM Cn1ccc(CCC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n1 ZINC001099857825 792200127 /nfs/dbraw/zinc/20/01/27/792200127.db2.gz CPMZNVDQENVFBG-VXGBXAGGSA-N -1 0 349.395 -1.072 20 0 EAADRM 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ZINC001121456624 792845383 /nfs/dbraw/zinc/84/53/83/792845383.db2.gz XVPOWCFIPDLAFB-ZETCQYMHSA-N -1 0 347.339 -1.302 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H](CO)Nc1ncnc2c1CCC2 ZINC001121859508 792871822 /nfs/dbraw/zinc/87/18/22/792871822.db2.gz ABKOQSDVXGZNBL-MRVPVSSYSA-N -1 0 349.351 -1.443 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)Nc1ncnc2c1CCC2 ZINC001121859512 792872912 /nfs/dbraw/zinc/87/29/12/792872912.db2.gz ABKOQSDVXGZNBL-QMMMGPOBSA-N -1 0 349.351 -1.443 20 0 EAADRM Cc1nsc(N[C@H](CO)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001121859574 792872192 /nfs/dbraw/zinc/87/21/92/792872192.db2.gz AKXURPRZCMWWLD-LURJTMIESA-N -1 0 329.342 -1.562 20 0 EAADRM Cc1nsc(N[C@@H](CO)CNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001121859577 792872459 /nfs/dbraw/zinc/87/24/59/792872459.db2.gz AKXURPRZCMWWLD-ZCFIWIBFSA-N -1 0 329.342 -1.562 20 0 EAADRM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H](CO)Nc1cncc(Cl)n1 ZINC001121860240 792873952 /nfs/dbraw/zinc/87/39/52/792873952.db2.gz GDMTTZLQQUXPEQ-LURJTMIESA-N -1 0 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EAADRM CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156623917 793314682 /nfs/dbraw/zinc/31/46/82/793314682.db2.gz QXZXTAAFCSLBHY-SECBINFHSA-N -1 0 328.373 -1.348 20 0 EAADRM CCN(Cc1nnn(C)n1)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156623935 793314502 /nfs/dbraw/zinc/31/45/02/793314502.db2.gz RBHFKKZDZHLWTD-MRVPVSSYSA-N -1 0 339.360 -1.760 20 0 EAADRM CCN(Cc1ncnn1C)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156624178 793315476 /nfs/dbraw/zinc/31/54/76/793315476.db2.gz RNWDILHCDQXRSS-SECBINFHSA-N -1 0 338.372 -1.155 20 0 EAADRM CCN(CCS(C)(=O)=O)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156624276 793314719 /nfs/dbraw/zinc/31/47/19/793314719.db2.gz VECZGLUHRBQMNH-SECBINFHSA-N -1 0 349.413 -1.440 20 0 EAADRM CCN(Cc1cn(C)nn1)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156624546 793314402 /nfs/dbraw/zinc/31/44/02/793314402.db2.gz YHAQMAPSKYKVKG-SECBINFHSA-N -1 0 338.372 -1.155 20 0 EAADRM CCN(C)C(=O)CN(CC)[C@H](C)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001156624560 793316116 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EAADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCc1nnn[n-]1 ZINC001184420572 790364133 /nfs/dbraw/zinc/36/41/33/790364133.db2.gz FGWNEIVILUAALP-YPMHNXCESA-N -1 0 332.320 -1.436 20 0 EAADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@@H]1CO[N-]C1=O ZINC001184421463 790363797 /nfs/dbraw/zinc/36/37/97/790363797.db2.gz KJXXGWCFPSQXJS-WZRBSPASSA-N -1 0 335.316 -1.719 20 0 EAADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCS(=O)(=O)[O-] ZINC001184421616 790363508 /nfs/dbraw/zinc/36/35/08/790363508.db2.gz LXHAPVOBORQZDP-PWSUYJOCSA-N -1 0 344.345 -1.304 20 0 EAADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001184421805 790366991 /nfs/dbraw/zinc/36/69/91/790366991.db2.gz MWMDNZVVYURLKB-YPMHNXCESA-N -1 0 347.331 -1.125 20 0 EAADRM CC(C)OC(=O)CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001184438471 790363736 /nfs/dbraw/zinc/36/37/36/790363736.db2.gz FJJWQAHISVDDAZ-UHFFFAOYSA-N -1 0 349.325 -1.310 20 0 EAADRM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001184728162 790378308 /nfs/dbraw/zinc/37/83/08/790378308.db2.gz LSDDQEAZTQRHDY-QMMMGPOBSA-N -1 0 343.361 -1.038 20 0 EAADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(N)=O)cc1C(=O)[O-] ZINC001184728179 790378163 /nfs/dbraw/zinc/37/81/63/790378163.db2.gz MIBXVCROOUNEGU-VIFPVBQESA-N -1 0 329.334 -1.299 20 0 EAADRM Cc1ccc(S(=O)(=O)NCC(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001184734888 790377586 /nfs/dbraw/zinc/37/75/86/790377586.db2.gz SCYYTFDMCJGZSX-UHFFFAOYSA-N -1 0 329.334 -1.427 20 0 EAADRM C[C@H]1[C@H](NC(=O)c2[nH]c(=O)ccc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001184815600 790379253 /nfs/dbraw/zinc/37/92/53/790379253.db2.gz FMNBUOLEFYHFRJ-FFWSUHOLSA-N -1 0 335.725 -1.001 20 0 EAADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)C(N)=O)nc1C ZINC001184974584 790385515 /nfs/dbraw/zinc/38/55/15/790385515.db2.gz CYDWJVFPJBMJGL-LURJTMIESA-N -1 0 337.379 -1.247 20 0 EAADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)C(N)=O)nc1C ZINC001184974585 790385603 /nfs/dbraw/zinc/38/56/03/790385603.db2.gz CYDWJVFPJBMJGL-ZCFIWIBFSA-N -1 0 337.379 -1.247 20 0 EAADRM COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001185109222 790386734 /nfs/dbraw/zinc/38/67/34/790386734.db2.gz NNJBYTNKYTYPHI-XNCJUZBTSA-N -1 0 331.306 -1.072 20 0 EAADRM COc1ccc(S(=O)(=O)NC(C(N)=O)C(N)=O)cc1C(=O)[O-] ZINC001185323149 790397205 /nfs/dbraw/zinc/39/72/05/790397205.db2.gz NLXXKODNLMLDFO-UHFFFAOYSA-N -1 0 331.306 -1.989 20 0 EAADRM COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(N)=O)cc1C(=O)[O-] ZINC001185334269 790395905 /nfs/dbraw/zinc/39/59/05/790395905.db2.gz SCPQEZDLTRSDCW-QMMMGPOBSA-N -1 0 345.333 -1.599 20 0 EAADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001185340930 790397215 /nfs/dbraw/zinc/39/72/15/790397215.db2.gz PFRQDFLFWOHMER-UHFFFAOYSA-N -1 0 345.333 -1.727 20 0 EAADRM C[C@@]1(O)C[C@@H](C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1 ZINC001185461893 790399154 /nfs/dbraw/zinc/39/91/54/790399154.db2.gz GXCULXLDSJBFJU-ZXFRJOFHSA-N -1 0 333.326 -1.490 20 0 EAADRM O=C(NCS(=O)(=O)[O-])c1cccc(N2CCCNC(=O)C2)n1 ZINC001185613182 790401813 /nfs/dbraw/zinc/40/18/13/790401813.db2.gz NOSTUOFVLFAVNG-UHFFFAOYSA-N -1 0 328.350 -1.017 20 0 EAADRM COC(=O)[C@]1(F)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185652717 790403425 /nfs/dbraw/zinc/40/34/25/790403425.db2.gz BCEKUIVOBKPETR-JTQLQIEISA-N -1 0 340.248 -1.351 20 0 EAADRM COC(=O)[C@@]1(F)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185652718 790402481 /nfs/dbraw/zinc/40/24/81/790402481.db2.gz BCEKUIVOBKPETR-SNVBAGLBSA-N -1 0 340.248 -1.351 20 0 EAADRM CN(CC(=O)N1CCNCC(F)(F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652719 790402945 /nfs/dbraw/zinc/40/29/45/790402945.db2.gz BCXJKYIMUDSIPL-UHFFFAOYSA-N -1 0 329.244 -1.398 20 0 EAADRM COCCN1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185653409 790403488 /nfs/dbraw/zinc/40/34/88/790403488.db2.gz FRTIBUAVLULBNQ-UHFFFAOYSA-N -1 0 337.317 -1.674 20 0 EAADRM CN(CC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653415 790403074 /nfs/dbraw/zinc/40/30/74/790403074.db2.gz FYNYTEXSJSHNKQ-BDAKNGLRSA-N -1 0 335.301 -1.923 20 0 EAADRM CN(CC(=O)N1CC(=O)N(C2CC2)C(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653562 790403460 /nfs/dbraw/zinc/40/34/60/790403460.db2.gz GIKZWQPDHLJESN-UHFFFAOYSA-N -1 0 347.268 -2.105 20 0 EAADRM COc1ncnc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1OC ZINC001185653838 790403627 /nfs/dbraw/zinc/40/36/27/790403627.db2.gz JZLIYMKNDORUPV-UHFFFAOYSA-N -1 0 348.256 -1.019 20 0 EAADRM CN(CC(=O)Nc1ncnc2c1cnn2C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653896 790403371 /nfs/dbraw/zinc/40/33/71/790403371.db2.gz KYPSILDOAAIYTE-UHFFFAOYSA-N -1 0 342.256 -1.149 20 0 EAADRM CN(CC(=O)NCCN1CCCCC1=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653902 790403333 /nfs/dbraw/zinc/40/33/33/790403333.db2.gz LFCVBOUJIIOALT-UHFFFAOYSA-N -1 0 335.301 -1.336 20 0 EAADRM COC(=O)Cn1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn1 ZINC001185653909 790403718 /nfs/dbraw/zinc/40/37/18/790403718.db2.gz LLNQJEFCBYXTRO-UHFFFAOYSA-N -1 0 348.256 -1.457 20 0 EAADRM Cc1nc(CCN(C)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])no1 ZINC001185653986 790402532 /nfs/dbraw/zinc/40/25/32/790402532.db2.gz LDDINJIAWSXXOL-UHFFFAOYSA-N -1 0 334.273 -1.072 20 0 EAADRM CCN=c1ncc(N)cn1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654068 790403181 /nfs/dbraw/zinc/40/31/81/790403181.db2.gz MGJLQIVXJKJCIT-UHFFFAOYSA-N -1 0 331.273 -1.425 20 0 EAADRM CN(CC(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654355 790403060 /nfs/dbraw/zinc/40/30/60/790403060.db2.gz OVWAWRRZMXWXAO-SFYZADRCSA-N -1 0 333.285 -1.918 20 0 EAADRM CN(CC(=O)N1CC[C@@](C)(O)[C@@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654370 790402902 /nfs/dbraw/zinc/40/29/02/790402902.db2.gz PCXGDHTWCQTEOM-OIBJUYFYSA-N -1 0 326.265 -1.143 20 0 EAADRM CNC(=O)C1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185654493 790403531 /nfs/dbraw/zinc/40/35/31/790403531.db2.gz QACVXBLUFJPDPV-UHFFFAOYSA-N -1 0 335.301 -1.480 20 0 EAADRM Cc1cnc(CCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nc1 ZINC001185654536 790402575 /nfs/dbraw/zinc/40/25/75/790402575.db2.gz RRJNEKMPEVYKIC-UHFFFAOYSA-N -1 0 330.285 -1.007 20 0 EAADRM CN(CC(=O)Nc1ncn(C)c2ncnc1-2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654547 790402677 /nfs/dbraw/zinc/40/26/77/790402677.db2.gz RVPYNHAHOFTWMN-UHFFFAOYSA-N -1 0 342.256 -1.198 20 0 EAADRM COC(=O)c1cncc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185654578 790403661 /nfs/dbraw/zinc/40/36/61/790403661.db2.gz SGYYGDVCZWLAFB-UHFFFAOYSA-N -1 0 346.240 -1.249 20 0 EAADRM COCc1n[nH]c2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185654694 790403474 /nfs/dbraw/zinc/40/34/74/790403474.db2.gz QNWASBGHXNFKQX-UHFFFAOYSA-N -1 0 346.284 -1.053 20 0 EAADRM Cc1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n2ncnc2n1 ZINC001185654975 790403151 /nfs/dbraw/zinc/40/31/51/790403151.db2.gz YAENECLRDGCADK-UHFFFAOYSA-N -1 0 342.256 -1.080 20 0 EAADRM CN(CC(=O)Nc1ncnn2cccc12)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654978 790403588 /nfs/dbraw/zinc/40/35/88/790403588.db2.gz YEOGNSNKOHMXIF-UHFFFAOYSA-N -1 0 327.241 -1.361 20 0 EAADRM COC(=O)N1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185655028 790403232 /nfs/dbraw/zinc/40/32/32/790403232.db2.gz ZLHLIIGCHLJXHJ-UHFFFAOYSA-N -1 0 337.273 -1.554 20 0 EAADRM CN(CC(=O)N1CCS(=O)(=O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655244 790402519 /nfs/dbraw/zinc/40/25/19/790402519.db2.gz VKHQDGUSRWXORA-UHFFFAOYSA-N -1 0 328.287 -2.208 20 0 EAADRM CN(CC(=O)N1C[C@H](F)C[C@@H](CO)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655290 790403591 /nfs/dbraw/zinc/40/35/91/790403591.db2.gz WNHVLWJUXTZMHA-HTQZYQBOSA-N -1 0 326.265 -1.286 20 0 EAADRM CN(CC(=O)N1C[C@H](F)C[C@H](CO)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655291 790403361 /nfs/dbraw/zinc/40/33/61/790403361.db2.gz WNHVLWJUXTZMHA-JGVFFNPUSA-N -1 0 326.265 -1.286 20 0 EAADRM CN(CC(=O)N1C[C@H](CO)C[C@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655292 790403388 /nfs/dbraw/zinc/40/33/88/790403388.db2.gz WNHVLWJUXTZMHA-SFYZADRCSA-N -1 0 326.265 -1.286 20 0 EAADRM CN(CC(=O)N1C[C@@H](F)C[C@H](CO)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655293 790403200 /nfs/dbraw/zinc/40/32/00/790403200.db2.gz WNHVLWJUXTZMHA-YUMQZZPRSA-N -1 0 326.265 -1.286 20 0 EAADRM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655441 790402502 /nfs/dbraw/zinc/40/25/02/790402502.db2.gz ZEUPNUHRBKMAHU-BQBZGAKWSA-N -1 0 340.248 -1.353 20 0 EAADRM CN(CC(=O)N1CCc2nccn2CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655930 790402691 /nfs/dbraw/zinc/40/26/91/790402691.db2.gz APHISJRXOLVDKW-UHFFFAOYSA-N -1 0 330.285 -1.183 20 0 EAADRM CCOC(=O)[C@H]1[C@@H]2CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]21 ZINC001185656134 790403085 /nfs/dbraw/zinc/40/30/85/790403085.db2.gz CSUSXDKVQAGLIX-MBTKJCJQSA-N -1 0 348.296 -1.197 20 0 EAADRM CN(CC(=O)N1CCN2C(=O)OC[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656174 790403722 /nfs/dbraw/zinc/40/37/22/790403722.db2.gz CXBFAXUPZBKZTM-SSDOTTSWSA-N -1 0 335.257 -1.802 20 0 EAADRM CN(CC(=O)N1CCN2C(=O)CC[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656231 790403578 /nfs/dbraw/zinc/40/35/78/790403578.db2.gz DDDDNGZKUVXNGD-MRVPVSSYSA-N -1 0 333.285 -1.632 20 0 EAADRM CN(CC(=O)N(CCO)CC(F)(F)F)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656611 790403292 /nfs/dbraw/zinc/40/32/92/790403292.db2.gz GPWMJMNPTWZHTF-UHFFFAOYSA-N -1 0 336.207 -1.082 20 0 EAADRM CN(CC(=O)N1CCc2nn(C)cc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656902 790403434 /nfs/dbraw/zinc/40/34/34/790403434.db2.gz JYRCFHKPAGBDBL-UHFFFAOYSA-N -1 0 330.285 -1.146 20 0 EAADRM CN(CC(=O)N1CCC[C@@H](n2cncn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656927 790402978 /nfs/dbraw/zinc/40/29/78/790402978.db2.gz KPLIZXCGXGTYFE-SECBINFHSA-N -1 0 345.300 -1.010 20 0 EAADRM CN(CC(=O)N1CCC[C@H](n2cncn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656928 790403168 /nfs/dbraw/zinc/40/31/68/790403168.db2.gz KPLIZXCGXGTYFE-VIFPVBQESA-N -1 0 345.300 -1.010 20 0 EAADRM CN(CC(=O)N1CC(N2CCNC(=O)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656933 790403534 /nfs/dbraw/zinc/40/35/34/790403534.db2.gz KYWGNJUXHZTDPH-UHFFFAOYSA-N -1 0 348.300 -2.822 20 0 EAADRM CN(CC(=O)N1CCN2C(=O)COC[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657219 790403538 /nfs/dbraw/zinc/40/35/38/790403538.db2.gz QAKBFFGKEORZEG-MRVPVSSYSA-N -1 0 349.284 -2.395 20 0 EAADRM CN(CC(=O)N1CCN2C(=O)COC[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657220 790403697 /nfs/dbraw/zinc/40/36/97/790403697.db2.gz QAKBFFGKEORZEG-QMMMGPOBSA-N -1 0 349.284 -2.395 20 0 EAADRM CN(CC(=O)N1CC(NS(C)(=O)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657316 790403191 /nfs/dbraw/zinc/40/31/91/790403191.db2.gz SVKJYNTVRYREIR-UHFFFAOYSA-N -1 0 343.302 -2.705 20 0 EAADRM CN(CC(=O)N1CCN(CCF)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657333 790402997 /nfs/dbraw/zinc/40/29/97/790402997.db2.gz UGINDLBBCPIMHX-UHFFFAOYSA-N -1 0 325.281 -1.351 20 0 EAADRM CN(CC(=O)N1CCC(=O)C(F)(F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657342 790403453 /nfs/dbraw/zinc/40/34/53/790403453.db2.gz USCSNOSSNQNFNE-UHFFFAOYSA-N -1 0 328.212 -1.028 20 0 EAADRM CN(CC(=O)N1CCC(n2cnnc2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657527 790403264 /nfs/dbraw/zinc/40/32/64/790403264.db2.gz XREHUBRXKJYRIC-UHFFFAOYSA-N -1 0 345.300 -1.010 20 0 EAADRM COC(=O)[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]1C ZINC001185661031 790405291 /nfs/dbraw/zinc/40/52/91/790405291.db2.gz COYYOUJIIRFDEH-YUMQZZPRSA-N -1 0 336.285 -1.197 20 0 EAADRM CN(CC(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661297 790405137 /nfs/dbraw/zinc/40/51/37/790405137.db2.gz HGGHNUAOGUUAFM-OCAPTIKFSA-N -1 0 334.269 -1.791 20 0 EAADRM CN(CC(=O)N1CC(=O)NC2(CCCC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661322 790404984 /nfs/dbraw/zinc/40/49/84/790404984.db2.gz IFHMIAQMCJECBO-UHFFFAOYSA-N -1 0 347.312 -1.194 20 0 EAADRM CN(CC(=O)N1CCC2(CCC(=O)N2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661327 790405050 /nfs/dbraw/zinc/40/50/50/790405050.db2.gz IIZPQWZMHFTJRD-UHFFFAOYSA-N -1 0 347.312 -1.194 20 0 EAADRM CC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185662217 790404908 /nfs/dbraw/zinc/40/49/08/790404908.db2.gz QWKFQMDPIQPTHV-SECBINFHSA-N -1 0 335.301 -1.338 20 0 EAADRM CN(CC(=O)N1CCC[C@@H](n2ccnn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662226 790405029 /nfs/dbraw/zinc/40/50/29/790405029.db2.gz RFKNWWFPXQCOII-SECBINFHSA-N -1 0 345.300 -1.010 20 0 EAADRM CN(CC(=O)N1CCC[C@H](n2ccnn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662227 790404737 /nfs/dbraw/zinc/40/47/37/790404737.db2.gz RFKNWWFPXQCOII-VIFPVBQESA-N -1 0 345.300 -1.010 20 0 EAADRM COc1ccc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])nn1 ZINC001185662280 790405143 /nfs/dbraw/zinc/40/51/43/790405143.db2.gz AYJACKRZXJCPQR-UHFFFAOYSA-N -1 0 332.257 -1.350 20 0 EAADRM CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185662539 790405110 /nfs/dbraw/zinc/40/51/10/790405110.db2.gz CYOAUPLNHKYGMS-KWQFWETISA-N -1 0 333.285 -1.728 20 0 EAADRM CC(=O)N1C[C@H]2C[C@@]2(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185662540 790404791 /nfs/dbraw/zinc/40/47/91/790404791.db2.gz CYOAUPLNHKYGMS-LDYMZIIASA-N -1 0 333.285 -1.728 20 0 EAADRM CN(CC(=O)NC1CN(S(C)(=O)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662636 790405194 /nfs/dbraw/zinc/40/51/94/790405194.db2.gz DPBRSZAMWIQOHJ-UHFFFAOYSA-N -1 0 343.302 -2.705 20 0 EAADRM CN(CC(=O)N[C@H]1C=CS(=O)(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662840 790405187 /nfs/dbraw/zinc/40/51/87/790405187.db2.gz GUHLVEYHDLVGBO-LURJTMIESA-N -1 0 326.271 -2.038 20 0 EAADRM CN(CC(=O)N[C@@H]1C=CS(=O)(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662841 790404559 /nfs/dbraw/zinc/40/45/59/790404559.db2.gz GUHLVEYHDLVGBO-ZCFIWIBFSA-N -1 0 326.271 -2.038 20 0 EAADRM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662851 790405033 /nfs/dbraw/zinc/40/50/33/790405033.db2.gz GYLIUWIYSBEDSZ-LURJTMIESA-N -1 0 328.287 -2.161 20 0 EAADRM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662853 790405076 /nfs/dbraw/zinc/40/50/76/790405076.db2.gz GYLIUWIYSBEDSZ-ZCFIWIBFSA-N -1 0 328.287 -2.161 20 0 EAADRM CCOC(=O)C(F)(F)CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663291 790405038 /nfs/dbraw/zinc/40/50/38/790405038.db2.gz JQOMFKQQZMJXAR-UHFFFAOYSA-N -1 0 346.227 -1.150 20 0 EAADRM CN(CC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663407 790405009 /nfs/dbraw/zinc/40/50/09/790405009.db2.gz LCWXZVOAMMBRFM-LJGSYFOKSA-N -1 0 342.314 -1.773 20 0 EAADRM COCCn1cncc1CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663509 790405222 /nfs/dbraw/zinc/40/52/22/790405222.db2.gz MEQVFZVBPRSREW-UHFFFAOYSA-N -1 0 348.300 -1.305 20 0 EAADRM CN(CC(=O)NCCC(=O)N(C)C1CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663774 790404671 /nfs/dbraw/zinc/40/46/71/790404671.db2.gz NCBACWROUNQQCL-UHFFFAOYSA-N -1 0 335.301 -1.338 20 0 EAADRM CN(C)S(=O)(=O)CCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663830 790404507 /nfs/dbraw/zinc/40/45/07/790404507.db2.gz PLWFBBOMVZQKRN-UHFFFAOYSA-N -1 0 345.318 -2.457 20 0 EAADRM CN(CC(=O)NCC1(N2CCCC2)COC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664189 790405256 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SRPJRNJBJHGAPT-SFYZADRCSA-N -1 0 336.285 -1.007 20 0 EAADRM COC(=O)[C@H]1CC[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185664232 790404632 /nfs/dbraw/zinc/40/46/32/790404632.db2.gz SRPJRNJBJHGAPT-YUMQZZPRSA-N -1 0 336.285 -1.007 20 0 EAADRM CCC(=O)N1CC[C@H](NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C1 ZINC001185666199 790406100 /nfs/dbraw/zinc/40/61/00/790406100.db2.gz BDUXODFGCGBFSI-QMMMGPOBSA-N -1 0 335.301 -1.338 20 0 EAADRM CN(CC(=O)NCc1cc2n(n1)CCCO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667015 790406114 /nfs/dbraw/zinc/40/61/14/790406114.db2.gz HJDDNICZNKIHDY-UHFFFAOYSA-N -1 0 346.284 -1.169 20 0 EAADRM CN(CC(=O)NCCN1CCC(F)(F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667391 790405922 /nfs/dbraw/zinc/40/59/22/790405922.db2.gz LFLYLMDISXKAKV-UHFFFAOYSA-N -1 0 343.271 -1.008 20 0 EAADRM C[C@@H]1COCCN1CCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667756 790405895 /nfs/dbraw/zinc/40/58/95/790405895.db2.gz PPKDPHDCCNTHDQ-SECBINFHSA-N -1 0 337.317 -1.628 20 0 EAADRM C[C@H]1COCCN1CCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667763 790406831 /nfs/dbraw/zinc/40/68/31/790406831.db2.gz PPKDPHDCCNTHDQ-VIFPVBQESA-N -1 0 337.317 -1.628 20 0 EAADRM CCOC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001185872066 790408233 /nfs/dbraw/zinc/40/82/33/790408233.db2.gz CDROBMCKMKOFEY-YUMQZZPRSA-N -1 0 347.324 -1.501 20 0 EAADRM CCOC(=O)N[C@@H](CC(N)=O)C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001185879567 790410283 /nfs/dbraw/zinc/41/02/83/790410283.db2.gz IGQNVHQIOPWTHQ-ZETCQYMHSA-N -1 0 336.308 -1.111 20 0 EAADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)NCC(N)=O ZINC001185935380 790411863 /nfs/dbraw/zinc/41/18/63/790411863.db2.gz XPDIYDFWAZZWGC-QMMMGPOBSA-N -1 0 343.361 -1.038 20 0 EAADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(N)=O ZINC001185937391 790412393 /nfs/dbraw/zinc/41/23/93/790412393.db2.gz JIUIJDKJUSQRLF-UHFFFAOYSA-N -1 0 329.334 -1.427 20 0 EAADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(N)=O)C(N)=O ZINC001185937989 790411923 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790729049 /nfs/dbraw/zinc/72/90/49/790729049.db2.gz IAFIDSYEMSPWOO-RNFRBKRXSA-N -1 0 326.313 -2.606 20 0 EAADRM CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192222310 790728286 /nfs/dbraw/zinc/72/82/86/790728286.db2.gz KSMIRGNRFGWBHT-NXEZZACHSA-N -1 0 325.369 -1.275 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC001192222384 790727939 /nfs/dbraw/zinc/72/79/39/790727939.db2.gz NDCORSFHOIDKNT-RKDXNWHRSA-N -1 0 347.397 -2.252 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2O)c1[O-] ZINC001192222739 790729284 /nfs/dbraw/zinc/72/92/84/790729284.db2.gz OMZZJIGLNLCNJX-GHMZBOCLSA-N -1 0 337.380 -1.275 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CCCS(C)(=O)=O)C[C@H]2O)c1[O-] ZINC001192222778 790728799 /nfs/dbraw/zinc/72/87/99/790728799.db2.gz ORDXYOOIQYVDFQ-NXEZZACHSA-N -1 0 346.409 -1.367 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NC(C)C)C[C@H]2O)c1[O-] ZINC001192222989 790727654 /nfs/dbraw/zinc/72/76/54/790727654.db2.gz QCWUMGZLNZDDJM-NXEZZACHSA-N -1 0 325.369 -1.277 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC(C)C)C[C@H]2O)c1[O-] ZINC001192223026 790727890 /nfs/dbraw/zinc/72/78/90/790727890.db2.gz QKIONJJKPYDYCU-GHMZBOCLSA-N -1 0 339.396 -1.029 20 0 EAADRM CNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192223621 790728384 /nfs/dbraw/zinc/72/83/84/790728384.db2.gz VRSOPDHUCCBZPW-HTQZYQBOSA-N -1 0 340.340 -2.346 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001192256540 790728738 /nfs/dbraw/zinc/72/87/38/790728738.db2.gz FERYHTGTUWULKQ-BWZBUEFSSA-N -1 0 340.340 -2.218 20 0 EAADRM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001192256543 790727952 /nfs/dbraw/zinc/72/79/52/790727952.db2.gz FERYHTGTUWULKQ-XLPZGREQSA-N -1 0 340.340 -2.218 20 0 EAADRM C[C@@](O)(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001192306165 790738994 /nfs/dbraw/zinc/73/89/94/790738994.db2.gz CSSIGKMOXRXBJV-GPCCPHFNSA-N -1 0 325.369 -1.277 20 0 EAADRM C[C@](O)(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)C1CC1 ZINC001192306166 790738039 /nfs/dbraw/zinc/73/80/39/790738039.db2.gz CSSIGKMOXRXBJV-RULNRJAQSA-N -1 0 325.369 -1.277 20 0 EAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccn[nH]c1=O ZINC001192389956 790743811 /nfs/dbraw/zinc/74/38/11/790743811.db2.gz ZLFSIDIEXZVNJT-UHFFFAOYSA-N -1 0 343.281 -2.107 20 0 EAADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1ccn[nH]c1=O ZINC001192403492 790748362 /nfs/dbraw/zinc/74/83/62/790748362.db2.gz HCTGXEGYJPGVGX-JTQLQIEISA-N -1 0 348.319 -1.163 20 0 EAADRM CNC(=O)CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192413413 790750211 /nfs/dbraw/zinc/75/02/11/790750211.db2.gz MHFRZBDKVIPWSC-RKDXNWHRSA-N -1 0 326.357 -1.912 20 0 EAADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001192550208 790763327 /nfs/dbraw/zinc/76/33/27/790763327.db2.gz FRHNDJMIFUQZIT-BDAKNGLRSA-N -1 0 346.413 -1.519 20 0 EAADRM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 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EAADRM COC(CN1C(=O)COCC12CN(C(=O)Cc1nnn[n-]1)C2)OC ZINC001269576829 785551148 /nfs/dbraw/zinc/55/11/48/785551148.db2.gz XQHSLFKJLQUVGC-UHFFFAOYSA-N -1 0 340.340 -2.199 20 0 EAADRM COC(CN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O)OC ZINC001269576861 785551290 /nfs/dbraw/zinc/55/12/90/785551290.db2.gz ZACLXUQWYMQIQE-AWEZNQCLSA-N -1 0 338.368 -1.188 20 0 EAADRM COC(CN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O)OC ZINC001269576862 785551046 /nfs/dbraw/zinc/55/10/46/785551046.db2.gz ZACLXUQWYMQIQE-CQSZACIVSA-N -1 0 338.368 -1.188 20 0 EAADRM CC(=O)[C@H](C)N1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576883 785551191 /nfs/dbraw/zinc/55/11/91/785551191.db2.gz ZWRLWGAGYVAPEX-LKFCYVNXSA-N -1 0 336.352 -1.450 20 0 EAADRM CC(=O)[C@@H](C)N1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576884 785551379 /nfs/dbraw/zinc/55/13/79/785551379.db2.gz ZWRLWGAGYVAPEX-OTYXRUKQSA-N -1 0 336.352 -1.450 20 0 EAADRM CC(=O)[C@H](C)N1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576885 785550577 /nfs/dbraw/zinc/55/05/77/785550577.db2.gz ZWRLWGAGYVAPEX-XPTSAGLGSA-N -1 0 336.352 -1.450 20 0 EAADRM CC(=O)[C@@H](C)N1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576886 785551756 /nfs/dbraw/zinc/55/17/56/785551756.db2.gz ZWRLWGAGYVAPEX-YMTOWFKASA-N -1 0 336.352 -1.450 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001269576902 785551362 /nfs/dbraw/zinc/55/13/62/785551362.db2.gz AFEIZYGUJRMKMV-UHFFFAOYSA-N -1 0 344.335 -1.828 20 0 EAADRM Cn1cnnc1CN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576912 785551553 /nfs/dbraw/zinc/55/15/53/785551553.db2.gz AQXJJKRKGIWLAL-AWEZNQCLSA-N -1 0 345.367 -1.478 20 0 EAADRM Cn1cnnc1CN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269576913 785550342 /nfs/dbraw/zinc/55/03/42/785550342.db2.gz AQXJJKRKGIWLAL-CQSZACIVSA-N -1 0 345.367 -1.478 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001269576938 785550965 /nfs/dbraw/zinc/55/09/65/785550965.db2.gz BPLQUJOKILBAKM-AWEZNQCLSA-N -1 0 334.336 -1.491 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001269576939 785551067 /nfs/dbraw/zinc/55/10/67/785551067.db2.gz BPLQUJOKILBAKM-CQSZACIVSA-N -1 0 334.336 -1.491 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001269576945 785551077 /nfs/dbraw/zinc/55/10/77/785551077.db2.gz CANWVDLHBPNIRJ-SECBINFHSA-N -1 0 349.351 -2.539 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001269576946 785552849 /nfs/dbraw/zinc/55/28/49/785552849.db2.gz CANWVDLHBPNIRJ-VIFPVBQESA-N -1 0 349.351 -2.539 20 0 EAADRM Cn1cnnc1CN1C(=O)COCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001269576954 785553122 /nfs/dbraw/zinc/55/31/22/785553122.db2.gz CEJKXXWTMMTUBT-UHFFFAOYSA-N -1 0 347.339 -2.489 20 0 EAADRM CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269576959 785552339 /nfs/dbraw/zinc/55/23/39/785552339.db2.gz CGCOBKHRFWRBDT-GHMZBOCLSA-N -1 0 349.395 -1.188 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC[C@@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001269577097 785552612 /nfs/dbraw/zinc/55/26/12/785552612.db2.gz DANKMQSBDMAAIK-GFCCVEGCSA-N -1 0 330.295 -1.163 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC[C@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001269577098 785552482 /nfs/dbraw/zinc/55/24/82/785552482.db2.gz DANKMQSBDMAAIK-LBPRGKRZSA-N -1 0 330.295 -1.163 20 0 EAADRM COCCCN1C[C@@]2(F)CN(C(=O)Cc3nnn[n-]3)C[C@@]2(F)C1=O ZINC001269577111 785552093 /nfs/dbraw/zinc/55/20/93/785552093.db2.gz DTWMHPAOUZZFCL-CHWSQXEVSA-N -1 0 344.322 -1.120 20 0 EAADRM CNC(=O)C(C)(C)N1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577139 785552877 /nfs/dbraw/zinc/55/28/77/785552877.db2.gz FLBJDTAYFRBZHW-HNNXBMFYSA-N -1 0 349.395 -1.140 20 0 EAADRM CNC(=O)C(C)(C)N1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577140 785552805 /nfs/dbraw/zinc/55/28/05/785552805.db2.gz FLBJDTAYFRBZHW-OAHLLOKOSA-N -1 0 349.395 -1.140 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)COCC(=O)N2Cc1cnoc1 ZINC001269577160 785553059 /nfs/dbraw/zinc/55/30/59/785553059.db2.gz GAABVUGSSXMDAJ-UHFFFAOYSA-N -1 0 333.308 -1.630 20 0 EAADRM CN(C)C(=O)CCN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577175 785553048 /nfs/dbraw/zinc/55/30/48/785553048.db2.gz GIGPKSARHIWSBF-HNNXBMFYSA-N -1 0 349.395 -1.186 20 0 EAADRM CN(C)C(=O)CCN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577180 785552114 /nfs/dbraw/zinc/55/21/14/785552114.db2.gz GIGPKSARHIWSBF-OAHLLOKOSA-N -1 0 349.395 -1.186 20 0 EAADRM O=C(Cc1nnn[n-]1)N1C[C@@]2(F)C(=O)N(C3COC3)C[C@@]2(F)C1 ZINC001269577400 785553191 /nfs/dbraw/zinc/55/31/91/785553191.db2.gz HQRQWKDLWWCVQW-NWDGAFQWSA-N -1 0 328.279 -1.758 20 0 EAADRM Cc1noc(CN2C(=O)COCC23CN(C(=O)Cc2nnn[n-]2)C3)n1 ZINC001269577416 785552358 /nfs/dbraw/zinc/55/23/58/785552358.db2.gz INFGQMCPPAINBJ-UHFFFAOYSA-N -1 0 348.323 -1.926 20 0 EAADRM Cn1cnnc1CN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577438 785552148 /nfs/dbraw/zinc/55/21/48/785552148.db2.gz JBIKMGZXXOBJLN-AWEZNQCLSA-N -1 0 345.367 -1.336 20 0 EAADRM Cn1cnnc1CN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269577439 785552998 /nfs/dbraw/zinc/55/29/98/785552998.db2.gz JBIKMGZXXOBJLN-CQSZACIVSA-N -1 0 345.367 -1.336 20 0 EAADRM Cn1cnnc1CN1CC2(CN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269577440 785552282 /nfs/dbraw/zinc/55/22/82/785552282.db2.gz JBZRRFGMVDZJAY-UHFFFAOYSA-N -1 0 347.339 -2.489 20 0 EAADRM CN(C)C(=O)CCN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269577451 785553010 /nfs/dbraw/zinc/55/30/10/785553010.db2.gz JKNPXOPIYYJUTE-HNNXBMFYSA-N -1 0 349.395 -1.329 20 0 EAADRM CN(C)C(=O)CCN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269577452 785553039 /nfs/dbraw/zinc/55/30/39/785553039.db2.gz JKNPXOPIYYJUTE-OAHLLOKOSA-N -1 0 349.395 -1.329 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCC[C@@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001269577473 785552646 /nfs/dbraw/zinc/55/26/46/785552646.db2.gz JUDSATBXBQZYJM-BMIGLBTASA-N -1 0 347.379 -1.386 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCC[C@@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001269577474 785552438 /nfs/dbraw/zinc/55/24/38/785552438.db2.gz JUDSATBXBQZYJM-BONVTDFDSA-N -1 0 347.379 -1.386 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCC[C@]12CCN(C[C@H]1CCC(=O)N1)C2=O ZINC001269577475 785552205 /nfs/dbraw/zinc/55/22/05/785552205.db2.gz JUDSATBXBQZYJM-MEBBXXQBSA-N -1 0 347.379 -1.386 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCC[C@]12CCN(C[C@@H]1CCC(=O)N1)C2=O ZINC001269577476 785552905 /nfs/dbraw/zinc/55/29/05/785552905.db2.gz JUDSATBXBQZYJM-ZUZCIYMTSA-N -1 0 347.379 -1.386 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC[C@@]2(CCN(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001269577604 785548744 /nfs/dbraw/zinc/54/87/44/785548744.db2.gz KVZXTPDLMOLJAZ-BMIGLBTASA-N -1 0 347.379 -1.528 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC[C@@]2(CCN(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001269577605 785549332 /nfs/dbraw/zinc/54/93/32/785549332.db2.gz KVZXTPDLMOLJAZ-BONVTDFDSA-N -1 0 347.379 -1.528 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC[C@]2(CCN(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001269577606 785548636 /nfs/dbraw/zinc/54/86/36/785548636.db2.gz KVZXTPDLMOLJAZ-MEBBXXQBSA-N -1 0 347.379 -1.528 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC[C@]2(CCN(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001269577607 785548778 /nfs/dbraw/zinc/54/87/78/785548778.db2.gz KVZXTPDLMOLJAZ-ZUZCIYMTSA-N -1 0 347.379 -1.528 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001269577611 785549602 /nfs/dbraw/zinc/54/96/02/785549602.db2.gz KXLVFKVTRLPWKW-SECBINFHSA-N -1 0 349.351 -2.539 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001269577612 785549757 /nfs/dbraw/zinc/54/97/57/785549757.db2.gz KXLVFKVTRLPWKW-VIFPVBQESA-N -1 0 349.351 -2.539 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CC2(C1)CN(Cc1ccncc1)C(=O)CO2 ZINC001269577614 785549665 /nfs/dbraw/zinc/54/96/65/785549665.db2.gz LBTWGIGKCRKVMM-UHFFFAOYSA-N -1 0 343.347 -1.223 20 0 EAADRM COC(C)(C)CN1C(=O)COCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001269577621 785549003 /nfs/dbraw/zinc/54/90/03/785549003.db2.gz LIENRUQOKLEPKR-UHFFFAOYSA-N -1 0 338.368 -1.393 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCOC[C@@]2(CC(=O)N(C3COC3)C2)C1 ZINC001269577634 785549164 /nfs/dbraw/zinc/54/91/64/785549164.db2.gz LQMVXBQDHPEQSW-AWEZNQCLSA-N -1 0 336.352 -1.782 20 0 EAADRM O=C(Cc1nnn[n-]1)N1CCOC[C@]2(CC(=O)N(C3COC3)C2)C1 ZINC001269577635 785549626 /nfs/dbraw/zinc/54/96/26/785549626.db2.gz LQMVXBQDHPEQSW-CQSZACIVSA-N -1 0 336.352 -1.782 20 0 EAADRM Cn1cncc1CN1CC2(CN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269577648 785549818 /nfs/dbraw/zinc/54/98/18/785549818.db2.gz MRLAYKXKYGPUIR-UHFFFAOYSA-N -1 0 346.351 -1.884 20 0 EAADRM CNC(=O)C(C)(C)N1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269577678 785549534 /nfs/dbraw/zinc/54/95/34/785549534.db2.gz NUMFBYSTJMLLDC-HNNXBMFYSA-N -1 0 349.395 -1.282 20 0 EAADRM CNC(=O)C(C)(C)N1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269577679 785548658 /nfs/dbraw/zinc/54/86/58/785548658.db2.gz NUMFBYSTJMLLDC-OAHLLOKOSA-N -1 0 349.395 -1.282 20 0 EAADRM COCCCN1C[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269577692 785549501 /nfs/dbraw/zinc/54/95/01/785549501.db2.gz ODEHHQAMOHKSLT-AWEZNQCLSA-N -1 0 338.368 -1.391 20 0 EAADRM COCCCN1C[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269577693 785550319 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