smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C(=O)NCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001306981381 884119738 /nfs/dbraw/zinc/11/97/38/884119738.db2.gz FMADWLDNTGFMHC-LURJTMIESA-N -1 0 263.257 -1.730 20 30 CAEDRM Cc1nn2c([n-]nc2SCC(=O)NCC#N)nc1=O ZINC001318616510 884288413 /nfs/dbraw/zinc/28/84/13/884288413.db2.gz KAVYVZLBDYMTTN-UHFFFAOYSA-N -1 0 279.285 -1.147 20 30 CAEDRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCCC#N)c1=O ZINC001320378499 884416832 /nfs/dbraw/zinc/41/68/32/884416832.db2.gz JKKZDJHKRXRUJC-UHFFFAOYSA-N -1 0 287.301 -1.668 20 30 CAEDRM COCc1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1 ZINC001326173793 884774385 /nfs/dbraw/zinc/77/43/85/884774385.db2.gz UGZDPLKEUOLOQI-UHFFFAOYSA-N -1 0 263.213 -1.014 20 30 CAEDRM COCCO[N-]C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001328685181 885013341 /nfs/dbraw/zinc/01/33/41/885013341.db2.gz NLSAPKFHFBXZLQ-UHFFFAOYSA-N -1 0 284.316 -1.215 20 30 CAEDRM C#CCC[C@H](O)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001344550348 885943694 /nfs/dbraw/zinc/94/36/94/885943694.db2.gz ZIXBGMGKLJZZOZ-LURJTMIESA-N -1 0 252.230 -1.213 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC001346181769 885990219 /nfs/dbraw/zinc/99/02/19/885990219.db2.gz KXXLEGXZABXVHO-UHFFFAOYSA-N -1 0 273.274 -1.991 20 30 CAEDRM C=CCSCCNC(=O)C(=O)NCC(=O)[N-]OC ZINC001351133066 886199251 /nfs/dbraw/zinc/19/92/51/886199251.db2.gz LLZYJVRORNVGSA-UHFFFAOYSA-N -1 0 275.330 -1.184 20 30 CAEDRM CNC(=O)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362290414 886578718 /nfs/dbraw/zinc/57/87/18/886578718.db2.gz FNGACZFLIASAMN-ZCFIWIBFSA-N -1 0 279.256 -1.929 20 30 CAEDRM CNC(=O)CCCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363148425 886807971 /nfs/dbraw/zinc/80/79/71/886807971.db2.gz NJTJZGDJMPQQAN-UHFFFAOYSA-N -1 0 279.300 -1.092 20 30 CAEDRM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)[C@H](C)C#N ZINC001193178085 884072606 /nfs/dbraw/zinc/07/26/06/884072606.db2.gz AUOMUXNPTKYUMD-PHDIDXHHSA-N -1 0 263.275 -1.765 20 30 CAEDRM C[C@H](O)[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001307178202 884119992 /nfs/dbraw/zinc/11/99/92/884119992.db2.gz FFXYURNRESDARK-FSPLSTOPSA-N -1 0 254.246 -1.901 20 30 CAEDRM C[C@@H](O)[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001307178204 884121284 /nfs/dbraw/zinc/12/12/84/884121284.db2.gz FFXYURNRESDARK-VDTYLAMSSA-N -1 0 254.246 -1.901 20 30 CAEDRM Cn1nncc1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC001307359900 884124088 /nfs/dbraw/zinc/12/40/88/884124088.db2.gz YFLQUHPYRZBDRX-UHFFFAOYSA-N -1 0 260.213 -1.580 20 30 CAEDRM CN(CC#N)CCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001316834470 884160588 /nfs/dbraw/zinc/16/05/88/884160588.db2.gz WYZZDECCDMBIAI-UHFFFAOYSA-N -1 0 266.261 -1.142 20 30 CAEDRM N#CCN(CC#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001318343286 884273135 /nfs/dbraw/zinc/27/31/35/884273135.db2.gz VOJYQSDWSXHWBB-UHFFFAOYSA-N -1 0 271.240 -1.053 20 30 CAEDRM C#CCN1CCO[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001319331171 884323757 /nfs/dbraw/zinc/32/37/57/884323757.db2.gz XBDTVMHGGVFYIV-VIFPVBQESA-N -1 0 295.299 -1.861 20 30 CAEDRM N#CCCCCS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC001320430931 884423672 /nfs/dbraw/zinc/42/36/72/884423672.db2.gz OQKQPCVUALQVCB-UHFFFAOYSA-N -1 0 277.302 -1.200 20 30 CAEDRM CC(=O)NCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC001322290108 884545327 /nfs/dbraw/zinc/54/53/27/884545327.db2.gz VMXSLKDPJXZCAX-UHFFFAOYSA-N -1 0 259.287 -1.128 20 30 CAEDRM CC(C)(CNN=C1C(=O)[N-]C(=O)NC1=O)S(C)(=O)=O ZINC001324163103 884653435 /nfs/dbraw/zinc/65/34/35/884653435.db2.gz LNSIZIXKNHMROL-UHFFFAOYSA-N -1 0 290.301 -1.879 20 30 CAEDRM CC(C)NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC001324163697 884654850 /nfs/dbraw/zinc/65/48/50/884654850.db2.gz VBGHUZSSPRNYQG-UHFFFAOYSA-N -1 0 257.275 -1.419 20 30 CAEDRM N#CCNC[C@@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001324263978 884658195 /nfs/dbraw/zinc/65/81/95/884658195.db2.gz QIIRRVATDCNCJE-QMMMGPOBSA-N -1 0 280.288 -1.207 20 30 CAEDRM CC#CCN1CC(O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001325236722 884723259 /nfs/dbraw/zinc/72/32/59/884723259.db2.gz RSZLCUOTGXKNQI-UHFFFAOYSA-N -1 0 293.283 -1.917 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001325864380 884748126 /nfs/dbraw/zinc/74/81/26/884748126.db2.gz PPBHFCZVJKHHOI-UHFFFAOYSA-N -1 0 292.299 -1.983 20 30 CAEDRM C#CCO[N-]C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001326021541 884760715 /nfs/dbraw/zinc/76/07/15/884760715.db2.gz KTHUQONKDRRUJV-SECBINFHSA-N -1 0 260.315 -1.214 20 30 CAEDRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CSCC#N ZINC001326381239 884791029 /nfs/dbraw/zinc/79/10/29/884791029.db2.gz RBGNCLQKEDCHMN-UHFFFAOYSA-N -1 0 279.343 -1.175 20 30 CAEDRM C=CCO[C@@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001326714916 884823552 /nfs/dbraw/zinc/82/35/52/884823552.db2.gz BDNPUHVTHSXNHW-SNVBAGLBSA-N -1 0 299.327 -1.026 20 30 CAEDRM C#CCN(CC#CC)C(=O)C(=O)NCC(=O)[N-]OCC ZINC001326716847 884825936 /nfs/dbraw/zinc/82/59/36/884825936.db2.gz QJEACSKNFNRYGM-UHFFFAOYSA-N -1 0 279.296 -1.345 20 30 CAEDRM C=CCn1cc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])nn1 ZINC001327682103 884919648 /nfs/dbraw/zinc/91/96/48/884919648.db2.gz KJVVWRZAOHNOSA-QMMMGPOBSA-N -1 0 295.299 -1.083 20 30 CAEDRM N#Cc1ncn(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001327945392 884943653 /nfs/dbraw/zinc/94/36/53/884943653.db2.gz KDCMOMZUGWQDME-JTQLQIEISA-N -1 0 265.229 -1.490 20 30 CAEDRM C#C[C@H]1COCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001328906821 885033492 /nfs/dbraw/zinc/03/34/92/885033492.db2.gz TWEAWHFZMLGWHU-VIFPVBQESA-N -1 0 274.284 -1.166 20 30 CAEDRM C=C[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001329432225 885097907 /nfs/dbraw/zinc/09/79/07/885097907.db2.gz SNPDOLDNWQTALM-SSDOTTSWSA-N -1 0 263.257 -1.266 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001329862799 885149728 /nfs/dbraw/zinc/14/97/28/885149728.db2.gz JQKCAMNCNBQETC-MRVPVSSYSA-N -1 0 284.272 -2.079 20 30 CAEDRM COCC#CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001330315271 885189935 /nfs/dbraw/zinc/18/99/35/885189935.db2.gz DTUZHHDLMOPVBZ-QMMMGPOBSA-N -1 0 251.246 -1.251 20 30 CAEDRM C=C[C@@H](O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001330796579 885230294 /nfs/dbraw/zinc/23/02/94/885230294.db2.gz BXBIYTSSJSEWIY-ZCFIWIBFSA-N -1 0 250.276 -1.885 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCNC1=O ZINC001331452467 885278452 /nfs/dbraw/zinc/27/84/52/885278452.db2.gz FMDJQHMWDOHSKV-QMMMGPOBSA-N -1 0 258.299 -1.018 20 30 CAEDRM C=C[C@H](O)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001332178269 885384693 /nfs/dbraw/zinc/38/46/93/885384693.db2.gz IZPGYNKCCMNTJI-JTQLQIEISA-N -1 0 272.301 -1.221 20 30 CAEDRM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNCC#N)c1[O-] ZINC001332503398 885416324 /nfs/dbraw/zinc/41/63/24/885416324.db2.gz GZFHFIXKZFLEJF-MRVPVSSYSA-N -1 0 267.289 -1.030 20 30 CAEDRM C#CCN(C(=O)C(=O)NCC(=O)[N-]OC)C(C)C ZINC001333296588 885472527 /nfs/dbraw/zinc/47/25/27/885472527.db2.gz PCNCQYRSKNBQCL-UHFFFAOYSA-N -1 0 255.274 -1.350 20 30 CAEDRM C=C(Br)CNC(=O)C(=O)NCC(=O)[N-]OC ZINC001333774911 885508096 /nfs/dbraw/zinc/50/80/96/885508096.db2.gz LCSLAEXDQULZQL-UHFFFAOYSA-N -1 0 294.105 -1.195 20 30 CAEDRM C#C[C@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001334510138 885550161 /nfs/dbraw/zinc/55/01/61/885550161.db2.gz KQCHSAGEXJUYEP-VIFPVBQESA-N -1 0 267.285 -1.348 20 30 CAEDRM C#C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001334510135 885550888 /nfs/dbraw/zinc/55/08/88/885550888.db2.gz KQCHSAGEXJUYEP-SECBINFHSA-N -1 0 267.285 -1.348 20 30 CAEDRM C=CCN(CCOC)c1nnnn1CC(=O)[N-]OC ZINC001334559365 885554987 /nfs/dbraw/zinc/55/49/87/885554987.db2.gz KPAGBAPFFCQCFW-UHFFFAOYSA-N -1 0 270.293 -1.011 20 30 CAEDRM C=C[C@@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335002713 885575818 /nfs/dbraw/zinc/57/58/18/885575818.db2.gz KAVSXIJFOSJMFU-MFKMUULPSA-N -1 0 284.312 -1.079 20 30 CAEDRM C#CCCCCNC(=O)C(=O)NCC(=O)[N-]OC ZINC001335633149 885627199 /nfs/dbraw/zinc/62/71/99/885627199.db2.gz PQBBRONGMCWWGI-UHFFFAOYSA-N -1 0 255.274 -1.300 20 30 CAEDRM O=C1CNC(=O)N1CCCn1ccc(C=NO)nc1=O ZINC001335908119 885638544 /nfs/dbraw/zinc/63/85/44/885638544.db2.gz WRRYBUVEIVEVSQ-UHFFFAOYSA-N -1 0 279.256 -1.007 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001336301377 885656270 /nfs/dbraw/zinc/65/62/70/885656270.db2.gz OWYVEDRPKGFWHU-QMMMGPOBSA-N -1 0 269.257 -2.359 20 30 CAEDRM C#CCN1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001336464821 885662182 /nfs/dbraw/zinc/66/21/82/885662182.db2.gz HBCIGAHNZWJOFY-UHFFFAOYSA-N -1 0 273.296 -1.300 20 30 CAEDRM C=CCNC(=O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001337326489 885697745 /nfs/dbraw/zinc/69/77/45/885697745.db2.gz FRFKUIOJUDCUPT-UHFFFAOYSA-N -1 0 290.283 -1.510 20 30 CAEDRM C=CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC001339864735 885781668 /nfs/dbraw/zinc/78/16/68/885781668.db2.gz HBCFYBUPEMDBCO-QMMMGPOBSA-N -1 0 271.273 -1.616 20 30 CAEDRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC001342658036 885895028 /nfs/dbraw/zinc/89/50/28/885895028.db2.gz RGPOWYXGDAOCJH-SSDOTTSWSA-N -1 0 262.287 -1.257 20 30 CAEDRM C=CCOC[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)OC ZINC001344437858 885939512 /nfs/dbraw/zinc/93/95/12/885939512.db2.gz ANVTZDGRWDPDSN-ZCFIWIBFSA-N -1 0 270.245 -1.016 20 30 CAEDRM C=C(C)CO[N-]C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC001346208172 885993471 /nfs/dbraw/zinc/99/34/71/885993471.db2.gz NQQUJWBKINYWSL-SSDOTTSWSA-N -1 0 279.318 -1.597 20 30 CAEDRM C#C[C@H](NC(=O)C(=O)NCC(=O)[N-]OCC)[C@H]1CCCO1 ZINC001346384172 885999896 /nfs/dbraw/zinc/99/98/96/885999896.db2.gz PTEIMSLCDDPEIS-VHSXEESVSA-N -1 0 297.311 -1.533 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)NCC(=O)NCC#N ZINC001346351702 886000321 /nfs/dbraw/zinc/00/03/21/886000321.db2.gz ITMYXPWMLQLHMZ-UHFFFAOYSA-N -1 0 257.250 -2.007 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001346415953 886003082 /nfs/dbraw/zinc/00/30/82/886003082.db2.gz ROZGTUZQHXFFSC-GFCCVEGCSA-N -1 0 298.299 -1.953 20 30 CAEDRM C#CCO[N-]C(=O)C1(n2cnnn2)CCOCC1 ZINC001351139690 886198249 /nfs/dbraw/zinc/19/82/49/886198249.db2.gz HATBCPXIYIACOO-UHFFFAOYSA-N -1 0 251.246 -1.140 20 30 CAEDRM C#C[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001351644067 886222459 /nfs/dbraw/zinc/22/24/59/886222459.db2.gz BGIIGCGEIOHMOO-SECBINFHSA-N -1 0 267.285 -1.206 20 30 CAEDRM C#C[C@H]1CCCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001351644068 886222876 /nfs/dbraw/zinc/22/28/76/886222876.db2.gz BGIIGCGEIOHMOO-VIFPVBQESA-N -1 0 267.285 -1.206 20 30 CAEDRM C#CCN1CCN(C(=O)COCc2nnn[n-]2)CC1 ZINC001353925561 886294345 /nfs/dbraw/zinc/29/43/45/886294345.db2.gz GVSDNUUICCQJAG-UHFFFAOYSA-N -1 0 264.289 -1.506 20 30 CAEDRM CN1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001361597438 886468949 /nfs/dbraw/zinc/46/89/49/886468949.db2.gz WXTAXVVHRXBCNJ-UHFFFAOYSA-N -1 0 277.284 -1.405 20 30 CAEDRM CCNC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361901114 886500191 /nfs/dbraw/zinc/50/01/91/886500191.db2.gz BBUMTZKXWRRRPJ-ZETCQYMHSA-N -1 0 293.283 -1.539 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@@H]2COCCO2)c(=O)[n-]c1=O ZINC001361954147 886510428 /nfs/dbraw/zinc/51/04/28/886510428.db2.gz ZUHNXSGZLVHGOK-SECBINFHSA-N -1 0 294.267 -1.648 20 30 CAEDRM COC(=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362041517 886520718 /nfs/dbraw/zinc/52/07/18/886520718.db2.gz GMXSRDKGSMGPCM-UHFFFAOYSA-N -1 0 280.240 -1.500 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H]2CCOC2)c(=O)[n-]c1=O ZINC001362053940 886522591 /nfs/dbraw/zinc/52/25/91/886522591.db2.gz LXTKJBNXVVWIEH-MRVPVSSYSA-N -1 0 278.268 -1.027 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@@H]2CCOC2)c(=O)[n-]c1=O ZINC001362053957 886524337 /nfs/dbraw/zinc/52/43/37/886524337.db2.gz LXTKJBNXVVWIEH-QMMMGPOBSA-N -1 0 278.268 -1.027 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCOC[C@@H]2C#N)c(=O)[n-]c1=O ZINC001362085120 886531548 /nfs/dbraw/zinc/53/15/48/886531548.db2.gz COMQOOVNOWJWLX-VIFPVBQESA-N -1 0 289.251 -1.428 20 30 CAEDRM N#Cc1cn(CC(=O)NCC2(O)CCC2)c(=O)[n-]c1=O ZINC001362232848 886565594 /nfs/dbraw/zinc/56/55/94/886565594.db2.gz LNLIJQCBSSXASF-UHFFFAOYSA-N -1 0 278.268 -1.148 20 30 CAEDRM CN(C[C@H](O)CO)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362251539 886568416 /nfs/dbraw/zinc/56/84/16/886568416.db2.gz AXZQSWIRIORLBV-QMMMGPOBSA-N -1 0 282.256 -2.368 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCC[C@H](O)C2)c(=O)[n-]c1=O ZINC001362422073 886610724 /nfs/dbraw/zinc/61/07/24/886610724.db2.gz DKHHMCJLYDWDPJ-VIFPVBQESA-N -1 0 278.268 -1.196 20 30 CAEDRM C[C@@H](C[S@](C)=O)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362464025 886620248 /nfs/dbraw/zinc/62/02/48/886620248.db2.gz RDTMQNFFMYVEEL-JKNYTWMOSA-N -1 0 298.324 -1.296 20 30 CAEDRM C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(=O)N(C)C ZINC001362459026 886620623 /nfs/dbraw/zinc/62/06/23/886620623.db2.gz QAEYHUFHSSFOCN-ZETCQYMHSA-N -1 0 293.283 -1.587 20 30 CAEDRM Cn1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001362594159 886653959 /nfs/dbraw/zinc/65/39/59/886653959.db2.gz KJUFEWUMBORZTR-UHFFFAOYSA-N -1 0 288.267 -1.130 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1O ZINC001362601674 886655351 /nfs/dbraw/zinc/65/53/51/886655351.db2.gz NTYZESZRNOKXDD-APPZFPTMSA-N -1 0 278.268 -1.340 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1O ZINC001362601679 886655987 /nfs/dbraw/zinc/65/59/87/886655987.db2.gz NTYZESZRNOKXDD-IONNQARKSA-N -1 0 278.268 -1.340 20 30 CAEDRM CO[C@@H]1COC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362602268 886656283 /nfs/dbraw/zinc/65/62/83/886656283.db2.gz FYAQOCABZRRYFX-RKDXNWHRSA-N -1 0 294.267 -1.649 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c(=O)[n-]c1=O ZINC001362651803 886668091 /nfs/dbraw/zinc/66/80/91/886668091.db2.gz WTMSGHSXIPCSFQ-MYJAWHEDSA-N -1 0 290.279 -1.483 20 30 CAEDRM N#Cc1cn(CCNC(=O)C2(O)CCC2)c(=O)[n-]c1=O ZINC001362689150 886676308 /nfs/dbraw/zinc/67/63/08/886676308.db2.gz NZKLEWZCFIJFPK-UHFFFAOYSA-N -1 0 278.268 -1.148 20 30 CAEDRM N#Cc1cn(CCNC(=O)C2CC(=O)C2)c(=O)[n-]c1=O ZINC001362687985 886677099 /nfs/dbraw/zinc/67/70/99/886677099.db2.gz IYGIJBINVIPBAT-UHFFFAOYSA-N -1 0 276.252 -1.084 20 30 CAEDRM C[C@H](O)C1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001362708913 886682784 /nfs/dbraw/zinc/68/27/84/886682784.db2.gz IGSSELRZEVBRHB-ZETCQYMHSA-N -1 0 278.268 -1.150 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CNC(=O)C2)c(=O)[n-]c1=O ZINC001362807596 886711552 /nfs/dbraw/zinc/71/15/52/886711552.db2.gz IKDKLPFAJPHZLZ-SSDOTTSWSA-N -1 0 277.240 -2.175 20 30 CAEDRM CC(=O)NCCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362840123 886724955 /nfs/dbraw/zinc/72/49/55/886724955.db2.gz NTKQVYHBTSOKJG-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H]2CNC(=O)C2)c(=O)[n-]c1=O ZINC001362868438 886734977 /nfs/dbraw/zinc/73/49/77/886734977.db2.gz VPLMNVMNDRNOIH-SSDOTTSWSA-N -1 0 291.267 -1.927 20 30 CAEDRM C[C@@]1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCOC1=O ZINC001362985256 886758865 /nfs/dbraw/zinc/75/88/65/886758865.db2.gz WGPKPHGNHMQRLP-GFCCVEGCSA-N -1 0 292.251 -1.358 20 30 CAEDRM N#Cc1cn(CCNC(=O)Cn2cncn2)c(=O)[n-]c1=O ZINC001363000098 886763052 /nfs/dbraw/zinc/76/30/52/886763052.db2.gz JIFDFTBKKFJIRI-UHFFFAOYSA-N -1 0 289.255 -1.772 20 30 CAEDRM COCC[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363039666 886776296 /nfs/dbraw/zinc/77/62/96/886776296.db2.gz AJAHGIXRXBKPAC-VIFPVBQESA-N -1 0 296.283 -1.666 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(=O)[n-]c1=O ZINC001363103831 886794628 /nfs/dbraw/zinc/79/46/28/886794628.db2.gz FXCSMJZSRHIJIV-MBTKJCJQSA-N -1 0 276.252 -1.418 20 30 CAEDRM Cn1nccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001363126513 886797680 /nfs/dbraw/zinc/79/76/80/886797680.db2.gz FFQNFSMSAJRLFB-UHFFFAOYSA-N -1 0 288.267 -1.016 20 30 CAEDRM COC(=O)[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363134508 886799949 /nfs/dbraw/zinc/79/99/49/886799949.db2.gz FRVSESRIYLFXSR-SSDOTTSWSA-N -1 0 278.268 -1.055 20 30 CAEDRM C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(=O)O1 ZINC001363139463 886801156 /nfs/dbraw/zinc/80/11/56/886801156.db2.gz HNTABJBOGFSJNO-XPUUQOCRSA-N -1 0 292.251 -1.359 20 30 CAEDRM CCC(=O)N1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363154583 886807058 /nfs/dbraw/zinc/80/70/58/886807058.db2.gz MZCJVZFTDXWLIP-UHFFFAOYSA-N -1 0 277.284 -1.039 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(=O)N(C)CC2)c(C#N)c1=O ZINC001363156383 886809598 /nfs/dbraw/zinc/80/95/98/886809598.db2.gz QUHHCBYUIOIOCH-UHFFFAOYSA-N -1 0 277.284 -1.386 20 30 CAEDRM COC(=O)C1(C)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363157819 886809679 /nfs/dbraw/zinc/80/96/79/886809679.db2.gz UMFAXKJOTUZPEM-UHFFFAOYSA-N -1 0 278.268 -1.055 20 30 CAEDRM CNC(=O)[C@]1(C)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363159338 886810158 /nfs/dbraw/zinc/81/01/58/886810158.db2.gz PVDJPAWLQAPMMO-CYBMUJFWSA-N -1 0 291.311 -1.092 20 30 CAEDRM C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC(=O)N1C ZINC001363160703 886811109 /nfs/dbraw/zinc/81/11/09/886811109.db2.gz SOJAWYHTSFSTFY-ZETCQYMHSA-N -1 0 277.284 -1.388 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(=O)N=S(C)(C)=O)c(C#N)c1=O ZINC001363163739 886812564 /nfs/dbraw/zinc/81/25/64/886812564.db2.gz KJSISPMLQRNTBI-UHFFFAOYSA-N -1 0 299.312 -1.389 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H](CO)[C@H](O)C2)c(=O)[n-]c1=O ZINC001363246838 886839563 /nfs/dbraw/zinc/83/95/63/886839563.db2.gz JVGACMQVEZWBLF-RKDXNWHRSA-N -1 0 294.267 -2.368 20 30 CAEDRM Cc1c(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nnn1C ZINC001363443472 886903982 /nfs/dbraw/zinc/90/39/82/886903982.db2.gz PKNYGDRZSLZHPH-UHFFFAOYSA-N -1 0 289.255 -1.104 20 30 CAEDRM N#Cc1cn(CCNC(=O)Cn2cccn2)c(=O)[n-]c1=O ZINC001363481127 886909542 /nfs/dbraw/zinc/90/95/42/886909542.db2.gz DVCGTOHJNNRLFD-UHFFFAOYSA-N -1 0 288.267 -1.167 20 30 CAEDRM N#Cc1cn(CCC(=O)NN2CCOC2=O)c(=O)[n-]c1=O ZINC001363480906 886910032 /nfs/dbraw/zinc/91/00/32/886910032.db2.gz FXXOVIVHKBWIBI-UHFFFAOYSA-N -1 0 293.239 -1.306 20 30 CAEDRM COC[C@@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001363671850 886960492 /nfs/dbraw/zinc/96/04/92/886960492.db2.gz LLPIWWWGWHVDBI-VIFPVBQESA-N -1 0 296.283 -1.666 20 30 CAEDRM CO[C@@](C)(CO)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363714340 886965568 /nfs/dbraw/zinc/96/55/68/886965568.db2.gz GZYWPTYYGBOIQB-GFCCVEGCSA-N -1 0 296.283 -1.666 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H](CO)c2ncc[nH]2)c(C#N)c1=O ZINC001363753046 886973314 /nfs/dbraw/zinc/97/33/14/886973314.db2.gz UMTZZBCQXBBCGP-SSDOTTSWSA-N -1 0 276.256 -1.186 20 30 CAEDRM CN1CCOC[C@@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363746445 886973771 /nfs/dbraw/zinc/97/37/71/886973771.db2.gz UVNOBNUIHYENFI-QMMMGPOBSA-N -1 0 279.300 -1.312 20 30 CAEDRM Cn1c(=O)[n-]c(NCC[C@@]2(O)CCOC2)c(C#N)c1=O ZINC001363746440 886973848 /nfs/dbraw/zinc/97/38/48/886973848.db2.gz VDZZOAGGDQDBFR-GFCCVEGCSA-N -1 0 280.284 -1.101 20 30 CAEDRM CCNS(=O)(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001364041941 887022018 /nfs/dbraw/zinc/02/20/18/887022018.db2.gz VUVWQHYMGVKAIX-UHFFFAOYSA-N -1 0 287.301 -1.736 20 30 CAEDRM COC(=O)N1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001364136277 887035441 /nfs/dbraw/zinc/03/54/41/887035441.db2.gz WGEDLFHOQKMQNG-UHFFFAOYSA-N -1 0 293.283 -1.166 20 30 CAEDRM Cn1c(=O)[n-]c(NCCN2CCOCC2)c(C#N)c1=O ZINC001364131536 887036750 /nfs/dbraw/zinc/03/67/50/887036750.db2.gz DOTYOAURGUWLFP-UHFFFAOYSA-N -1 0 279.300 -1.311 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(=O)NCC(F)F)c(C#N)c1=O ZINC001364172535 887038693 /nfs/dbraw/zinc/03/86/93/887038693.db2.gz OVTJOJIMFNAMKF-UHFFFAOYSA-N -1 0 287.226 -1.262 20 30 CAEDRM CCN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCNC1=O ZINC001364166418 887038723 /nfs/dbraw/zinc/03/87/23/887038723.db2.gz DLAGYTNHJPYSPC-MRVPVSSYSA-N -1 0 277.284 -1.340 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC[C@H](OCCO)C2)c(C#N)c1=O ZINC001364171580 887038752 /nfs/dbraw/zinc/03/87/52/887038752.db2.gz QEEDEZGFJZNMAJ-VIFPVBQESA-N -1 0 294.311 -1.077 20 30 CAEDRM C[C@@H]1CCNC(=O)[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364172975 887038885 /nfs/dbraw/zinc/03/88/85/887038885.db2.gz SMQZEGIRWPXSQG-SVRRBLITSA-N -1 0 277.284 -1.118 20 30 CAEDRM CNC(=O)[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001364166371 887038983 /nfs/dbraw/zinc/03/89/83/887038983.db2.gz AEOWKTOQELXUNB-QMMMGPOBSA-N -1 0 293.283 -2.104 20 30 CAEDRM COCCN(CC(=O)OC)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364166782 887040673 /nfs/dbraw/zinc/04/06/73/887040673.db2.gz DGZDILNBJWCLFU-UHFFFAOYSA-N -1 0 296.283 -1.429 20 30 CAEDRM Cn1c([O-])c(C#N)c(-n2cnnc2[S@@](C)=O)nc1=O ZINC001364180735 887041359 /nfs/dbraw/zinc/04/13/59/887041359.db2.gz XPPWOBZJCAXAOZ-LJQANCHMSA-N -1 0 280.269 -1.737 20 30 CAEDRM CCC[C@@H](O)[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364187747 887041798 /nfs/dbraw/zinc/04/17/98/887041798.db2.gz BWGGELMMKNRCHV-DTWKUNHWSA-N -1 0 282.300 -1.121 20 30 CAEDRM CCC[C@H](O)[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364187730 887041950 /nfs/dbraw/zinc/04/19/50/887041950.db2.gz BWGGELMMKNRCHV-BDAKNGLRSA-N -1 0 282.300 -1.121 20 30 CAEDRM C[C@@H](O)[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001364198133 887041989 /nfs/dbraw/zinc/04/19/89/887041989.db2.gz DYVIAGWIXNVVGK-APPZFPTMSA-N -1 0 280.284 -1.469 20 30 CAEDRM C[C@H](O)C[C@@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364182911 887042707 /nfs/dbraw/zinc/04/27/07/887042707.db2.gz NRHSLJYMJDTCGA-DTWKUNHWSA-N -1 0 294.311 -1.079 20 30 CAEDRM Cn1cc([C@H](CO)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1 ZINC001364179164 887042973 /nfs/dbraw/zinc/04/29/73/887042973.db2.gz CYEXCWCCGCSPOV-VIFPVBQESA-N -1 0 290.283 -1.176 20 30 CAEDRM CN(Cc1nncn1C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364189672 887043443 /nfs/dbraw/zinc/04/34/43/887043443.db2.gz CDBVEJIFBYLWME-UHFFFAOYSA-N -1 0 275.272 -1.290 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(CO)(CO)CC2)c(C#N)c1=O ZINC001364223981 887047283 /nfs/dbraw/zinc/04/72/83/887047283.db2.gz OYMITOHRPOISKG-UHFFFAOYSA-N -1 0 294.311 -1.484 20 30 CAEDRM CN(C)c1n[nH]c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1 ZINC001364232364 887048035 /nfs/dbraw/zinc/04/80/35/887048035.db2.gz OKKVNIJZAXQVJZ-UHFFFAOYSA-N -1 0 290.287 -1.259 20 30 CAEDRM Cn1c(=O)[n-]c(NCC[C@H]2CNC(=O)C2)c(C#N)c1=O ZINC001364228551 887049371 /nfs/dbraw/zinc/04/93/71/887049371.db2.gz JNMHTWVKHZDGER-SSDOTTSWSA-N -1 0 277.284 -1.117 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](CO)[C@@H](CCO)C2)c(C#N)c1=O ZINC001364265452 887052135 /nfs/dbraw/zinc/05/21/35/887052135.db2.gz JTTIGAKYZLSFTQ-DTWKUNHWSA-N -1 0 294.311 -1.628 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CCN(C(=O)CC#N)CC1 ZINC001364368724 887071023 /nfs/dbraw/zinc/07/10/23/887071023.db2.gz OAYVKXHNKQFZOQ-UHFFFAOYSA-N -1 0 292.303 -1.295 20 30 CAEDRM N#Cc1cn(C2CN(C(=O)[C@H]3C[C@@H](O)C3)C2)c(=O)[n-]c1=O ZINC001364446620 887089408 /nfs/dbraw/zinc/08/94/08/887089408.db2.gz BVWLMBZXNCLJGL-WKFQBHICSA-N -1 0 290.279 -1.025 20 30 CAEDRM Cn1cc([C@@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)cn1 ZINC001364543188 887105769 /nfs/dbraw/zinc/10/57/69/887105769.db2.gz MFXYAPMNLFUUCQ-VIFPVBQESA-N -1 0 290.283 -1.176 20 30 CAEDRM CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1CCN(C)C1=O ZINC001364555946 887109505 /nfs/dbraw/zinc/10/95/05/887109505.db2.gz MRBQIAIDDFAYFS-QMMMGPOBSA-N -1 0 277.284 -1.388 20 30 CAEDRM CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCN(C)C1=O ZINC001364555944 887109899 /nfs/dbraw/zinc/10/98/99/887109899.db2.gz MRBQIAIDDFAYFS-MRVPVSSYSA-N -1 0 277.284 -1.388 20 30 CAEDRM C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCS1(=O)=O ZINC001364586353 887111333 /nfs/dbraw/zinc/11/13/33/887111333.db2.gz UMJRFJWPVHPBCG-SSDOTTSWSA-N -1 0 298.324 -1.431 20 30 CAEDRM CS(C)(=O)=NS(=O)(=O)NCCn1cnc(C#N)n1 ZINC001364856062 887145884 /nfs/dbraw/zinc/14/58/84/887145884.db2.gz SCIFREYUYVKDNR-UHFFFAOYSA-N -1 0 292.346 -1.288 20 30 CAEDRM C[C@@H]1COC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001364916860 887154243 /nfs/dbraw/zinc/15/42/43/887154243.db2.gz HGHDBCRCQJGLNF-APPZFPTMSA-N -1 0 278.268 -1.028 20 30 CAEDRM C[C@H]1COC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001364916861 887154371 /nfs/dbraw/zinc/15/43/71/887154371.db2.gz HGHDBCRCQJGLNF-CBAPKCEASA-N -1 0 278.268 -1.028 20 30 CAEDRM CO[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1OC ZINC001365227569 887182176 /nfs/dbraw/zinc/18/21/76/887182176.db2.gz OISQJUICPZGEPV-DTORHVGOSA-N -1 0 280.284 -1.205 20 30 CAEDRM CO[C@]1(CO)CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001365228646 887182314 /nfs/dbraw/zinc/18/23/14/887182314.db2.gz CQADINPDBKYAGV-CYBMUJFWSA-N -1 0 294.311 -1.077 20 30 CAEDRM CCOC(=O)[C@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365226671 887182412 /nfs/dbraw/zinc/18/24/12/887182412.db2.gz XXKARTVYQHMFSZ-GFCCVEGCSA-N -1 0 296.283 -1.329 20 30 CAEDRM C[C@@H]1OCC[C@]1(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365220753 887182476 /nfs/dbraw/zinc/18/24/76/887182476.db2.gz HRFXRAYCJOTVSZ-MADCSZMMSA-N -1 0 280.284 -1.103 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCCn3nncc3C2)c(C#N)c1=O ZINC001365239684 887184540 /nfs/dbraw/zinc/18/45/40/887184540.db2.gz FDAVVHUYSWBEAU-UHFFFAOYSA-N -1 0 287.283 -1.053 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c(C#N)c1=O ZINC001365241491 887185382 /nfs/dbraw/zinc/18/53/82/887185382.db2.gz XOUZATRLCTULIR-VDAHYXPESA-N -1 0 280.284 -1.369 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(CO)(CO)C2)c(C#N)c1=O ZINC001365241465 887185501 /nfs/dbraw/zinc/18/55/01/887185501.db2.gz YBNXXQSZOMYGIA-UHFFFAOYSA-N -1 0 280.284 -1.874 20 30 CAEDRM CN(CCn1cnnc1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365239185 887185527 /nfs/dbraw/zinc/18/55/27/887185527.db2.gz ULXRZPZFTQWEKM-UHFFFAOYSA-N -1 0 275.272 -1.327 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](CO)OC(C)(C)C2)c(C#N)c1=O ZINC001365232235 887185651 /nfs/dbraw/zinc/18/56/51/887185651.db2.gz UVNDSECEUVITSN-MRVPVSSYSA-N -1 0 294.311 -1.079 20 30 CAEDRM C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001405726222 889468345 /nfs/dbraw/zinc/46/83/45/889468345.db2.gz FITYRLQCHMCKJU-IUCAKERBSA-N -1 0 294.315 -1.013 20 30 CAEDRM COC(=O)C1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001411939243 889775030 /nfs/dbraw/zinc/77/50/30/889775030.db2.gz MUMLGLBCWFYYRM-UHFFFAOYSA-N -1 0 292.251 -1.358 20 30 CAEDRM COC[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)OC ZINC001412007191 889781791 /nfs/dbraw/zinc/78/17/91/889781791.db2.gz MHTAULLHAVYXKU-VIFPVBQESA-N -1 0 296.283 -1.402 20 30 CAEDRM COCC1(O)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001412182042 889797167 /nfs/dbraw/zinc/79/71/67/889797167.db2.gz VTFBLBVKVPFLBO-UHFFFAOYSA-N -1 0 294.267 -1.960 20 30 CAEDRM COC(=O)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001412384249 889817302 /nfs/dbraw/zinc/81/73/02/889817302.db2.gz OTQVNZSLHMSYNW-UHFFFAOYSA-N -1 0 294.267 -1.110 20 30 CAEDRM N#Cc1cn(CCNC(=O)Cc2cc[nH]n2)c(=O)[n-]c1=O ZINC001412375659 889817715 /nfs/dbraw/zinc/81/77/15/889817715.db2.gz UURFCQRWVKDINT-UHFFFAOYSA-N -1 0 288.267 -1.097 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2cc[nH]n2)c(=O)[n-]c1=O ZINC001412425457 889826692 /nfs/dbraw/zinc/82/66/92/889826692.db2.gz CEOHWOGSQTWRRR-UHFFFAOYSA-N -1 0 274.240 -1.140 20 30 CAEDRM N#Cc1cn(CC(=O)NCC2(CO)CC2)c(=O)[n-]c1=O ZINC001412653468 889863045 /nfs/dbraw/zinc/86/30/45/889863045.db2.gz RJRRHQMNIGETBU-UHFFFAOYSA-N -1 0 278.268 -1.291 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCC[C@H]2CO)c(=O)[n-]c1=O ZINC001412779590 889887512 /nfs/dbraw/zinc/88/75/12/889887512.db2.gz ZQTUXKVMMZJFRX-VIFPVBQESA-N -1 0 278.268 -1.196 20 30 CAEDRM COC[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001412867659 889900189 /nfs/dbraw/zinc/90/01/89/889900189.db2.gz BFYHOAMBLVSUJE-QMMMGPOBSA-N -1 0 280.284 -1.203 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](CO)[C@@H](O)C2)c(C#N)c1=O ZINC001412881738 889903658 /nfs/dbraw/zinc/90/36/58/889903658.db2.gz JEEJFJBULDRHIW-CBAPKCEASA-N -1 0 280.284 -1.875 20 30 CAEDRM COC(=O)[C@@H]1C[C@@H](O)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001412882962 889904290 /nfs/dbraw/zinc/90/42/90/889904290.db2.gz KVYBILWIUCZHMJ-SVRRBLITSA-N -1 0 294.267 -1.942 20 30 CAEDRM COC(=O)N1CC(Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001412887522 889904366 /nfs/dbraw/zinc/90/43/66/889904366.db2.gz UZLBWILUNPTXNA-UHFFFAOYSA-N -1 0 279.256 -1.192 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCn3nc(N)cc3C2)c(C#N)c1=O ZINC001412906443 889908077 /nfs/dbraw/zinc/90/80/77/889908077.db2.gz PGQNGDUBYGIKHU-UHFFFAOYSA-N -1 0 287.283 -1.256 20 30 CAEDRM C[C@]1(O)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001412918902 889911513 /nfs/dbraw/zinc/91/15/13/889911513.db2.gz KWLBINKINMNXEY-LBPRGKRZSA-N -1 0 278.268 -1.196 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)Nc2cnccn2)c1=O ZINC001412923389 889911906 /nfs/dbraw/zinc/91/19/06/889911906.db2.gz ULQRKWVPSMPCPG-UHFFFAOYSA-N -1 0 272.224 -1.163 20 30 CAEDRM N#Cc1cn(CCC(=O)O[C@H]2CNOC2)c(=O)[n-]c1=O ZINC001412935999 889915846 /nfs/dbraw/zinc/91/58/46/889915846.db2.gz OFVZIYJCQVNPAU-QMMMGPOBSA-N -1 0 280.240 -1.343 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CCOC2=O)c(=O)[n-]c1=O ZINC001413190262 889946206 /nfs/dbraw/zinc/94/62/06/889946206.db2.gz SIQNRTIRFCXQGN-ZETCQYMHSA-N -1 0 278.224 -1.748 20 30 CAEDRM COC[C@](C)(CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001413407920 889980713 /nfs/dbraw/zinc/98/07/13/889980713.db2.gz WSZZUKICPQJDFT-LBPRGKRZSA-N -1 0 296.283 -1.666 20 30 CAEDRM CN1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1=O ZINC001413802860 890015078 /nfs/dbraw/zinc/01/50/78/890015078.db2.gz UCXBMRFIHXGUSY-QMMMGPOBSA-N -1 0 291.267 -1.833 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCSC[C@@H]2CO)c(C#N)c1=O ZINC001413885479 890025175 /nfs/dbraw/zinc/02/51/75/890025175.db2.gz TZGBEBZVPNANGE-ZETCQYMHSA-N -1 0 282.325 -1.141 20 30 CAEDRM CN(C)C(=O)[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001413896652 890025882 /nfs/dbraw/zinc/02/58/82/890025882.db2.gz PNZKKMMJWQLWPY-QMMMGPOBSA-N -1 0 291.311 -1.140 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@]3(CNC(=O)C3)C2)c(C#N)c1=O ZINC001413885598 890025911 /nfs/dbraw/zinc/02/59/11/890025911.db2.gz IQSGQFVYLWDDSM-ZDUSSCGKSA-N -1 0 289.295 -1.338 20 30 CAEDRM CN(C)C(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001417601510 890146332 /nfs/dbraw/zinc/14/63/32/890146332.db2.gz ZUDPDZGHXGMZGM-UHFFFAOYSA-N -1 0 279.256 -1.975 20 30 CAEDRM N#CCC(=O)N1CCN(C(=O)CCc2nnn[n-]2)CC1 ZINC001417668851 890153088 /nfs/dbraw/zinc/15/30/88/890153088.db2.gz KSNDMVBRLVRZEA-UHFFFAOYSA-N -1 0 277.288 -1.283 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@@H]3C[C@]3(CO)C2)c(=O)[n-]c1=O ZINC001417717504 890164592 /nfs/dbraw/zinc/16/45/92/890164592.db2.gz WPJCAKOUIPHVEW-TVQRCGJNSA-N -1 0 290.279 -1.339 20 30 CAEDRM CN1CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1=O ZINC001417721974 890166037 /nfs/dbraw/zinc/16/60/37/890166037.db2.gz QKHYRKZGRDAVRF-MRVPVSSYSA-N -1 0 291.267 -1.833 20 30 CAEDRM N#Cc1cn(CCC(=O)Nn2ccnn2)c(=O)[n-]c1=O ZINC001417874167 890173455 /nfs/dbraw/zinc/17/34/55/890173455.db2.gz HSRXALLVGLVKIN-UHFFFAOYSA-N -1 0 275.228 -1.428 20 30 CAEDRM COC(=O)[C@H](CF)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001417885155 890175779 /nfs/dbraw/zinc/17/57/79/890175779.db2.gz FHAUYUZYVGGPIC-ZETCQYMHSA-N -1 0 298.230 -1.552 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@@H]2COCO2)c(=O)[n-]c1=O ZINC001417890149 890176114 /nfs/dbraw/zinc/17/61/14/890176114.db2.gz CXBRPSVONLGEDH-MRVPVSSYSA-N -1 0 280.240 -1.690 20 30 CAEDRM CC[C@@H](CO)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001418536174 890240369 /nfs/dbraw/zinc/24/03/69/890240369.db2.gz HEIFGBHQPFZPAE-QMMMGPOBSA-N -1 0 280.284 -1.045 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2COCC[C@H]2O)c(=O)[n-]c1=O ZINC001418987086 890282434 /nfs/dbraw/zinc/28/24/34/890282434.db2.gz KYKDFVHGALBSDI-RKDXNWHRSA-N -1 0 294.267 -1.913 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2ncccn2)c(=O)[n-]c1=O ZINC001419286941 890314533 /nfs/dbraw/zinc/31/45/33/890314533.db2.gz CDBVLLDBYBHUEY-UHFFFAOYSA-N -1 0 286.251 -1.073 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC(CO)(CO)C2)c(=O)[n-]c1=O ZINC001419398185 890325514 /nfs/dbraw/zinc/32/55/14/890325514.db2.gz CHTVAPATOJVIPD-UHFFFAOYSA-N -1 0 294.267 -2.366 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)CC[C@@H]3C2)c(C#N)c1=O ZINC001421089246 890483789 /nfs/dbraw/zinc/48/37/89/890483789.db2.gz OUOFQCXOLHZOCX-MRVPVSSYSA-N -1 0 289.295 -1.244 20 30 CAEDRM CC(C)CN(CC(N)=O)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421085600 890484990 /nfs/dbraw/zinc/48/49/90/890484990.db2.gz CUCVWFADTXDLBK-UHFFFAOYSA-N -1 0 279.300 -1.107 20 30 CAEDRM Cc1[nH][nH]c(=O)c1CCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421085468 890485582 /nfs/dbraw/zinc/48/55/82/890485582.db2.gz XDVKOGFLWCRYKZ-SSDOTTSWSA-N -1 0 290.283 -1.131 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](n3cncn3)C2)c(C#N)c1=O ZINC001421133342 890486911 /nfs/dbraw/zinc/48/69/11/890486911.db2.gz WKJGWTJMECNJHF-QMMMGPOBSA-N -1 0 287.283 -1.012 20 30 CAEDRM C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)NCCF ZINC001421120937 890488077 /nfs/dbraw/zinc/48/80/77/890488077.db2.gz GGKKJRLGDZEVCU-LURJTMIESA-N -1 0 283.263 -1.169 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC3(C2)CCNC(=O)O3)c(C#N)c1=O ZINC001421282012 890496359 /nfs/dbraw/zinc/49/63/59/890496359.db2.gz YGGQODOEVBVCDF-UHFFFAOYSA-N -1 0 291.267 -1.366 20 30 CAEDRM N#C[C@@H]1CN(Cc2cc(=O)n3[n-]c(N)nc3n2)CCO1 ZINC001421493636 890516327 /nfs/dbraw/zinc/51/63/27/890516327.db2.gz KTRLPZRRQYHHJM-MRVPVSSYSA-N -1 0 275.272 -1.276 20 30 CAEDRM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423752867 890692430 /nfs/dbraw/zinc/69/24/30/890692430.db2.gz ZREUGDCCUZNITD-PELKAZGASA-N -1 0 294.315 -1.277 20 30 CAEDRM N#Cc1cn(CCNS(=O)(=O)NC2CC2)c(=O)[n-]c1=O ZINC001424411782 890733727 /nfs/dbraw/zinc/73/37/27/890733727.db2.gz UMMMCHAYZFUHHW-UHFFFAOYSA-N -1 0 299.312 -1.593 20 30 CAEDRM CNS(=O)(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001424410547 890734838 /nfs/dbraw/zinc/73/48/38/890734838.db2.gz PIRMGNHEPSPXDY-UHFFFAOYSA-N -1 0 273.274 -2.126 20 30 CAEDRM CNC(=O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433591423 891037430 /nfs/dbraw/zinc/03/74/30/891037430.db2.gz YPPBRPINZBVAJW-UHFFFAOYSA-N -1 0 279.256 -1.975 20 30 CAEDRM COC(=O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433622279 891041143 /nfs/dbraw/zinc/04/11/43/891041143.db2.gz FFDVHQBQCWUSQA-UHFFFAOYSA-N -1 0 280.240 -1.548 20 30 CAEDRM CC[S@@](=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433703292 891047176 /nfs/dbraw/zinc/04/71/76/891047176.db2.gz MKEXVGZEXZJTBF-HXUWFJFHSA-N -1 0 298.324 -1.295 20 30 CAEDRM C[C@H](CCO)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433790777 891052744 /nfs/dbraw/zinc/05/27/44/891052744.db2.gz WISSSXDAQWJFSK-MRVPVSSYSA-N -1 0 280.284 -1.045 20 30 CAEDRM C[C@@H](CCO)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433790782 891053355 /nfs/dbraw/zinc/05/33/55/891053355.db2.gz WISSSXDAQWJFSK-QMMMGPOBSA-N -1 0 280.284 -1.045 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@@H](CO)C2)c(=O)[n-]c1=O ZINC001433875923 891060228 /nfs/dbraw/zinc/06/02/28/891060228.db2.gz INDMIXDSJJRUDS-MRVPVSSYSA-N -1 0 278.268 -1.339 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC(O)(C3CC3)C2)c(=O)[n-]c1=O ZINC001433910901 891062992 /nfs/dbraw/zinc/06/29/92/891062992.db2.gz KKSZHPMEWNISQG-UHFFFAOYSA-N -1 0 290.279 -1.196 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@H]2CCOC2=O)c(=O)[n-]c1=O ZINC001434116516 891079971 /nfs/dbraw/zinc/07/99/71/891079971.db2.gz BSXLCLBHKNFARZ-QMMMGPOBSA-N -1 0 292.251 -1.358 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O ZINC001434208701 891088396 /nfs/dbraw/zinc/08/83/96/891088396.db2.gz VEYSNKQLSKEGOP-OTSSQURYSA-N -1 0 278.268 -1.292 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O ZINC001434274890 891096153 /nfs/dbraw/zinc/09/61/53/891096153.db2.gz QVIXMLSUDCPBJZ-OTSSQURYSA-N -1 0 278.268 -1.292 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2COCCC2=O)c(=O)[n-]c1=O ZINC001434252860 891097528 /nfs/dbraw/zinc/09/75/28/891097528.db2.gz ZDRDHIXKQYRFCC-QMMMGPOBSA-N -1 0 292.251 -1.705 20 30 CAEDRM CC(=O)N1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001434435476 891115368 /nfs/dbraw/zinc/11/53/68/891115368.db2.gz YLNNXPDSEPDPDP-UHFFFAOYSA-N -1 0 277.284 -1.386 20 30 CAEDRM Cn1c(=O)[n-]c(NCCS(C)(=O)=O)c(C#N)c1=O ZINC001434437426 891116239 /nfs/dbraw/zinc/11/62/39/891116239.db2.gz VSJIYYCZYHFPMF-UHFFFAOYSA-N -1 0 272.286 -1.598 20 30 CAEDRM CN(CC(=O)NC1CC1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001434435170 891116251 /nfs/dbraw/zinc/11/62/51/891116251.db2.gz SLHGOUNXIJAZMS-UHFFFAOYSA-N -1 0 277.284 -1.340 20 30 CAEDRM CNS(=O)(=O)CCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001434443619 891117827 /nfs/dbraw/zinc/11/78/27/891117827.db2.gz BNOHFJOWFAPXKB-UHFFFAOYSA-N -1 0 287.301 -2.094 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC[C@@H](CO)[C@H]2CO)c(C#N)c1=O ZINC001434447840 891118151 /nfs/dbraw/zinc/11/81/51/891118151.db2.gz UMQODAZBVLSKTF-WCBMZHEXSA-N -1 0 294.311 -1.485 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H]2CCCS2(=O)=O)c(C#N)c1=O ZINC001434444949 891118374 /nfs/dbraw/zinc/11/83/74/891118374.db2.gz QLRCVRGLURCAQC-SSDOTTSWSA-N -1 0 298.324 -1.066 20 30 CAEDRM C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)S(C)(=O)=O ZINC001434443138 891118606 /nfs/dbraw/zinc/11/86/06/891118606.db2.gz ZQDQYJHMSWAJLH-LURJTMIESA-N -1 0 286.313 -1.210 20 30 CAEDRM CC(C)[C@@H]1C(=O)NCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001434442664 891118638 /nfs/dbraw/zinc/11/86/38/891118638.db2.gz KQIJHXPKAMLYBK-SECBINFHSA-N -1 0 291.311 -1.094 20 30 CAEDRM C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)S(C)(=O)=O ZINC001434443139 891118758 /nfs/dbraw/zinc/11/87/58/891118758.db2.gz ZQDQYJHMSWAJLH-ZCFIWIBFSA-N -1 0 286.313 -1.210 20 30 CAEDRM CC(C)[C@H]1C(=O)NCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001434442665 891118857 /nfs/dbraw/zinc/11/88/57/891118857.db2.gz KQIJHXPKAMLYBK-VIFPVBQESA-N -1 0 291.311 -1.094 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCN1C ZINC001444104205 891555339 /nfs/dbraw/zinc/55/53/39/891555339.db2.gz YDJJXZCSSIWHQI-SECBINFHSA-N -1 0 291.311 -1.017 20 30 CAEDRM COC[C@](C)(C#N)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445653670 891648903 /nfs/dbraw/zinc/64/89/03/891648903.db2.gz IGYDNOYOCPGMJD-VIFPVBQESA-N -1 0 255.234 -1.266 20 30 CAEDRM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447125272 891714313 /nfs/dbraw/zinc/71/43/13/891714313.db2.gz JCBPQIILQVKMHQ-RKDXNWHRSA-N -1 0 294.315 -1.013 20 30 CAEDRM CON=CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001447649985 891734491 /nfs/dbraw/zinc/73/44/91/891734491.db2.gz ZZQIOHADRDJECD-UHFFFAOYSA-N -1 0 251.264 -1.799 20 30 CAEDRM CN(CCCO)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001448234146 891757893 /nfs/dbraw/zinc/75/78/93/891757893.db2.gz JXDOYBSYOZOHDF-UHFFFAOYSA-N -1 0 266.257 -1.339 20 30 CAEDRM C#C[C@H](CO)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001450337136 891872526 /nfs/dbraw/zinc/87/25/26/891872526.db2.gz XMCFXAOWTXYGTH-SSDOTTSWSA-N -1 0 254.246 -1.420 20 30 CAEDRM N#Cc1cn(CCC(=O)NC[C@H]2COCO2)c(=O)[n-]c1=O ZINC001450976961 891881800 /nfs/dbraw/zinc/88/18/00/891881800.db2.gz MLXITLRBKVYVEE-VIFPVBQESA-N -1 0 294.267 -1.300 20 30 CAEDRM C=C(C)CO[N-]C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001452776093 891964427 /nfs/dbraw/zinc/96/44/27/891964427.db2.gz OAUHLSWUIZHVPX-MRVPVSSYSA-N -1 0 268.277 -1.198 20 30 CAEDRM COC[C@](C)(O)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001453840676 891981940 /nfs/dbraw/zinc/98/19/40/891981940.db2.gz FLMMOKJHNMYPQJ-LBPRGKRZSA-N -1 0 296.283 -1.666 20 30 CAEDRM C#CCOCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001453843513 891983454 /nfs/dbraw/zinc/98/34/54/891983454.db2.gz OYNNNLJZYOBFHE-UHFFFAOYSA-N -1 0 290.279 -1.023 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001455132491 892026720 /nfs/dbraw/zinc/02/67/20/892026720.db2.gz MKWZHJQXAGJGAG-SSDOTTSWSA-N -1 0 273.260 -1.321 20 30 CAEDRM N#Cc1cn(C2CN(C(=O)C3(O)COC3)C2)c(=O)[n-]c1=O ZINC001457202449 892090916 /nfs/dbraw/zinc/09/09/16/892090916.db2.gz QUJUNSAYSRFZON-UHFFFAOYSA-N -1 0 292.251 -2.035 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCS(=O)(=O)CC2)c(C#N)c1=O ZINC001458166013 892118545 /nfs/dbraw/zinc/11/85/45/892118545.db2.gz PCBSMVFWWKFLFT-UHFFFAOYSA-N -1 0 284.297 -1.820 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](CO)C2)c(C#N)c1=O ZINC001458205840 892118598 /nfs/dbraw/zinc/11/85/98/892118598.db2.gz XOLSZXBFHTXZQV-ZETCQYMHSA-N -1 0 250.258 -1.236 20 30 CAEDRM C[C@H]1CO[C@H](CO)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458257166 892118723 /nfs/dbraw/zinc/11/87/23/892118723.db2.gz WAZVRUPWSFUVRM-YUMQZZPRSA-N -1 0 280.284 -1.469 20 30 CAEDRM CNC(=O)[C@H](C)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458231791 892118805 /nfs/dbraw/zinc/11/88/05/892118805.db2.gz RSAZSRPWCBHXAJ-SSDOTTSWSA-N -1 0 279.300 -1.236 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2CCCS(=O)(=O)C2)c(C#N)c1=O ZINC001458204513 892118843 /nfs/dbraw/zinc/11/88/43/892118843.db2.gz PXQVISPLOQBKRY-ZETCQYMHSA-N -1 0 298.324 -1.066 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2CCCS(=O)(=O)C2)c(C#N)c1=O ZINC001458204509 892119032 /nfs/dbraw/zinc/11/90/32/892119032.db2.gz PXQVISPLOQBKRY-SSDOTTSWSA-N -1 0 298.324 -1.066 20 30 CAEDRM CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C1CC(O)C1 ZINC001458309746 892119309 /nfs/dbraw/zinc/11/93/09/892119309.db2.gz JGKYMNBEHKKJLQ-UHFFFAOYSA-N -1 0 250.258 -1.095 20 30 CAEDRM Cn1c(=O)[n-]c(NCCCS(C)(=O)=O)c(C#N)c1=O ZINC001458121035 892119882 /nfs/dbraw/zinc/11/98/82/892119882.db2.gz LZDRJTCMGKFEHH-UHFFFAOYSA-N -1 0 286.313 -1.208 20 30 CAEDRM CN1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1=O ZINC001458488506 892121529 /nfs/dbraw/zinc/12/15/29/892121529.db2.gz AIFMOGPCXUSPBY-MRVPVSSYSA-N -1 0 277.284 -1.022 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](O)[C@@H](CO)C2)c(C#N)c1=O ZINC001458437880 892121571 /nfs/dbraw/zinc/12/15/71/892121571.db2.gz BBDBTCRUACHHCW-APPZFPTMSA-N -1 0 280.284 -1.875 20 30 CAEDRM Cn1c(=O)[n-]c(NCCOCCCO)c(C#N)c1=O ZINC001458369200 892123034 /nfs/dbraw/zinc/12/30/34/892123034.db2.gz SAARYXFOHOLNFO-UHFFFAOYSA-N -1 0 268.273 -1.244 20 30 CAEDRM Cn1c(=O)[n-]c(NCCN2CCNC2=S)c(C#N)c1=O ZINC001458721529 892124484 /nfs/dbraw/zinc/12/44/84/892124484.db2.gz WOQOFUMNIVSETN-UHFFFAOYSA-N -1 0 294.340 -1.453 20 30 CAEDRM COC[C@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458623576 892125638 /nfs/dbraw/zinc/12/56/38/892125638.db2.gz MVCXHCQLYRISBP-QMMMGPOBSA-N -1 0 280.284 -1.203 20 30 CAEDRM Cn1c(=O)[n-]c(NCCN2CCNC2=O)c(C#N)c1=O ZINC001458622466 892126903 /nfs/dbraw/zinc/12/69/03/892126903.db2.gz ZQQXCMKJKWOEMX-UHFFFAOYSA-N -1 0 278.272 -1.618 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC(O)C2)c(=O)[n-]c1=O ZINC001465805033 892207779 /nfs/dbraw/zinc/20/77/79/892207779.db2.gz BGJRDJXIXLCEOR-UHFFFAOYSA-N -1 0 250.214 -1.976 20 30 CAEDRM Cc1nnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1C ZINC001466814424 892236708 /nfs/dbraw/zinc/23/67/08/892236708.db2.gz NPCMNICWFDMWAO-UHFFFAOYSA-N -1 0 289.255 -1.104 20 30 CAEDRM O=C(CCc1nnn[n-]1)N[C@@H]1CCCN(O)C1=O ZINC001468452871 892272242 /nfs/dbraw/zinc/27/22/42/892272242.db2.gz KUOJVRUIDWUCCE-ZCFIWIBFSA-N -1 0 254.250 -1.371 20 30 CAEDRM Cn1nncc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001468621670 892275274 /nfs/dbraw/zinc/27/52/74/892275274.db2.gz VJIBLBLEIWLODH-UHFFFAOYSA-N -1 0 289.255 -1.735 20 30 CAEDRM CO[C@@H]1C[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001470364929 892312924 /nfs/dbraw/zinc/31/29/24/892312924.db2.gz BRZNDUFEBMLZGU-RKDXNWHRSA-N -1 0 278.268 -1.028 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@H]2CCNC2=O)c(=O)[n-]c1=O ZINC001470486395 892314414 /nfs/dbraw/zinc/31/44/14/892314414.db2.gz UDBAPAOTCNDPES-QMMMGPOBSA-N -1 0 291.267 -1.785 20 30 CAEDRM N#Cc1cn(CC(=O)NCCOCCF)c(=O)[n-]c1=O ZINC001470520829 892317221 /nfs/dbraw/zinc/31/72/21/892317221.db2.gz APMVINIWZXQSLC-UHFFFAOYSA-N -1 0 284.247 -1.077 20 30 CAEDRM C[C@H](O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001472370343 892399018 /nfs/dbraw/zinc/39/90/18/892399018.db2.gz FKUFVLFRCOFIBI-LURJTMIESA-N -1 0 264.241 -1.415 20 30 CAEDRM C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H](CO)O1 ZINC001472758542 892403610 /nfs/dbraw/zinc/40/36/10/892403610.db2.gz VXPFVYRYPJTXSD-HTQZYQBOSA-N -1 0 280.284 -1.469 20 30 CAEDRM Cn1c(=O)[n-]c(Nc2ccn(CCO)n2)c(C#N)c1=O ZINC001472689993 892403737 /nfs/dbraw/zinc/40/37/37/892403737.db2.gz IBTJBNJYRDKNKV-UHFFFAOYSA-N -1 0 276.256 -1.122 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@@H](C#N)C2)c(C#N)c1=O ZINC001472684069 892404085 /nfs/dbraw/zinc/40/40/85/892404085.db2.gz BWRQWHWOPJRVRK-ZETCQYMHSA-N -1 0 261.241 -1.326 20 30 CAEDRM CN(C)C(=O)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472638279 892404147 /nfs/dbraw/zinc/40/41/47/892404147.db2.gz FGPVAMASZYZCLY-UHFFFAOYSA-N -1 0 265.273 -1.530 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H](CO)[C@@H]2CCOC2)c(C#N)c1=O ZINC001472744831 892404433 /nfs/dbraw/zinc/40/44/33/892404433.db2.gz FOSSNKGTCSZNMC-VXNVDRBHSA-N -1 0 280.284 -1.245 20 30 CAEDRM C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H](CO)O1 ZINC001472758544 892404543 /nfs/dbraw/zinc/40/45/43/892404543.db2.gz VXPFVYRYPJTXSD-SFYZADRCSA-N -1 0 280.284 -1.469 20 30 CAEDRM CCN(OC)C(=O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472816182 892406694 /nfs/dbraw/zinc/40/66/94/892406694.db2.gz XZVBOTJQIHCRCE-UHFFFAOYSA-N -1 0 281.272 -1.233 20 30 CAEDRM C[C@@H]1C(=O)N(C)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472763191 892406913 /nfs/dbraw/zinc/40/69/13/892406913.db2.gz YVKRGFVCRPWTDZ-SSDOTTSWSA-N -1 0 277.284 -1.388 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H]2CCCNC2=O)c(C#N)c1=O ZINC001472801412 892408561 /nfs/dbraw/zinc/40/85/61/892408561.db2.gz YKJKZPWHNDSVMD-SSDOTTSWSA-N -1 0 277.284 -1.117 20 30 CAEDRM C[C@H](CC(N)=O)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472784757 892408595 /nfs/dbraw/zinc/40/85/95/892408595.db2.gz NBWMJTJGFVNSCW-RXMQYKEDSA-N -1 0 251.246 -1.379 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H](O)c2c[nH]cn2)c(C#N)c1=O ZINC001472875190 892408728 /nfs/dbraw/zinc/40/87/28/892408728.db2.gz HNJWODRZASORNW-MRVPVSSYSA-N -1 0 276.256 -1.186 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)NCC(=O)[N-]OC ZINC001478285142 892457737 /nfs/dbraw/zinc/45/77/37/892457737.db2.gz UCYUPXNFDKUWFC-UHFFFAOYSA-N -1 0 279.318 -1.436 20 30 CAEDRM N#CCNC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001480675482 892541909 /nfs/dbraw/zinc/54/19/09/892541909.db2.gz FDKRHHVMADQXPQ-QMMMGPOBSA-N -1 0 280.288 -1.349 20 30 CAEDRM N#CCN1CCC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001481067796 892574278 /nfs/dbraw/zinc/57/42/78/892574278.db2.gz YWUKOUSBGUEWMX-MRVPVSSYSA-N -1 0 280.288 -1.207 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNCC#N ZINC001484383362 892851775 /nfs/dbraw/zinc/85/17/75/892851775.db2.gz VBQAMMGJLMHKNR-DTWKUNHWSA-N -1 0 294.315 -1.103 20 30 CAEDRM C[C@@H](C#N)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485400713 892928671 /nfs/dbraw/zinc/92/86/71/892928671.db2.gz OZPAJULYFHCSLN-QMMMGPOBSA-N -1 0 294.315 -1.277 20 30 CAEDRM C=CCCC(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001498126891 893658493 /nfs/dbraw/zinc/65/84/93/893658493.db2.gz WKOSDAVFUQZRTP-UHFFFAOYSA-N -1 0 295.299 -1.018 20 30 CAEDRM CC(C)C#CC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001500829454 893762029 /nfs/dbraw/zinc/76/20/29/893762029.db2.gz DKBDTFZHHJSKLD-UHFFFAOYSA-N -1 0 293.327 -1.167 20 30 CAEDRM C#CCCN1CC(O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001500971602 893777425 /nfs/dbraw/zinc/77/74/25/893777425.db2.gz BQNYJQCHMJXHCC-UHFFFAOYSA-N -1 0 295.299 -2.125 20 30 CAEDRM CON1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001515805185 894188644 /nfs/dbraw/zinc/18/86/44/894188644.db2.gz QOIGYSGYSCXSLQ-UHFFFAOYSA-N -1 0 265.273 -1.371 20 30 CAEDRM C#CCCCC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522607748 894240321 /nfs/dbraw/zinc/24/03/21/894240321.db2.gz WCZGBRVWFHNTDI-UHFFFAOYSA-N -1 0 295.299 -1.275 20 30 CAEDRM N#Cc1cn(CC(=O)NCCCOCCO)c(=O)[n-]c1=O ZINC001546067273 894482653 /nfs/dbraw/zinc/48/26/53/894482653.db2.gz JNUWOYJGHUYVSM-UHFFFAOYSA-N -1 0 296.283 -1.664 20 30 CAEDRM C#C[C@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001556794685 894586096 /nfs/dbraw/zinc/58/60/96/894586096.db2.gz MKWKIOITVAVOGW-SECBINFHSA-N -1 0 288.263 -1.010 20 30 CAEDRM C#C[C@@H](CO)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001556794686 894587564 /nfs/dbraw/zinc/58/75/64/894587564.db2.gz MKWKIOITVAVOGW-VIFPVBQESA-N -1 0 288.263 -1.010 20 30 CAEDRM CON(C)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001557286655 894598377 /nfs/dbraw/zinc/59/83/77/894598377.db2.gz KVMUVBCFLBSWQC-UHFFFAOYSA-N -1 0 281.272 -1.570 20 30 CAEDRM C#CC[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001588398796 983414066 /nfs/dbraw/zinc/41/40/66/983414066.db2.gz MUFILLMYVGTUOM-ZCFIWIBFSA-N -1 0 260.271 -1.600 20 30 CAEDRM CN(C)S(=O)(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001610904608 970782645 /nfs/dbraw/zinc/78/26/45/970782645.db2.gz CHDDXGOAVHZVJD-JTQLQIEISA-N -1 0 291.329 -1.001 20 30 CAEDRM CN(C)c1c(C=NNCCC(=O)[O-])c(=O)n(C)c(=O)n1C ZINC001610904630 970784219 /nfs/dbraw/zinc/78/42/19/970784219.db2.gz GVRYVAWHXDPRGJ-UHFFFAOYSA-N -1 0 297.315 -1.452 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001611291419 970978874 /nfs/dbraw/zinc/97/88/74/970978874.db2.gz YPSIAMFLDAKIRB-HTRCEHHLSA-N -1 0 253.214 -1.033 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001611291422 970978984 /nfs/dbraw/zinc/97/89/84/970978984.db2.gz YPSIAMFLDAKIRB-XPUUQOCRSA-N -1 0 253.214 -1.033 20 30 CAEDRM C#CC[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001602675346 971247721 /nfs/dbraw/zinc/24/77/21/971247721.db2.gz RKQWMURAEIVVCB-VHSXEESVSA-N -1 0 298.295 -1.547 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnnn1C ZINC001602679893 971262520 /nfs/dbraw/zinc/26/25/20/971262520.db2.gz YQTQDEATMNFTJU-UHFFFAOYSA-N -1 0 265.229 -1.700 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C1(n2cnnn2)CCOCC1 ZINC001602681821 971263667 /nfs/dbraw/zinc/26/36/67/971263667.db2.gz AHVFIHFHCGFCIC-UHFFFAOYSA-N -1 0 293.283 -1.275 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1OCCN(C)C1=O ZINC001602682677 971269674 /nfs/dbraw/zinc/26/96/74/971269674.db2.gz TWQZBFFXUAZIIE-SECBINFHSA-N -1 0 254.242 -1.610 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1nc(C)oc1=O ZINC001602684045 971277385 /nfs/dbraw/zinc/27/73/85/971277385.db2.gz OPSKYTUCMJGFPJ-UHFFFAOYSA-N -1 0 253.214 -1.309 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001602686137 971285204 /nfs/dbraw/zinc/28/52/04/971285204.db2.gz RTEHBJOBJGVTNP-DTWKUNHWSA-N -1 0 283.284 -1.251 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)c1cn(CC(N)=O)nn1 ZINC001602692760 971305254 /nfs/dbraw/zinc/30/52/54/971305254.db2.gz ZMHKMYPJHIXKDB-UHFFFAOYSA-N -1 0 265.229 -2.077 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC001602695317 971306454 /nfs/dbraw/zinc/30/64/54/971306454.db2.gz CIRPTYAZBSGSGZ-ZYHUDNBSSA-N -1 0 257.286 -1.091 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC001602695316 971306591 /nfs/dbraw/zinc/30/65/91/971306591.db2.gz CIRPTYAZBSGSGZ-PWSUYJOCSA-N -1 0 257.286 -1.091 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001602699687 971317970 /nfs/dbraw/zinc/31/79/70/971317970.db2.gz YWKIQRVDQIPCRI-JTQLQIEISA-N -1 0 290.341 -1.333 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@@H](OC)C(=O)[O-])CC1 ZINC001602701901 971327279 /nfs/dbraw/zinc/32/72/79/971327279.db2.gz BZZLYJMLXBAMBP-LLVKDONJSA-N -1 0 297.311 -2.020 20 30 CAEDRM C#CCNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001602702897 971331945 /nfs/dbraw/zinc/33/19/45/971331945.db2.gz WZVHSGCEHMXRSI-UHFFFAOYSA-N -1 0 290.235 -2.284 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1CCN(C)C1=O ZINC001602701094 971326331 /nfs/dbraw/zinc/32/63/31/971326331.db2.gz VVOYRLUMQWXZIJ-MRVPVSSYSA-N -1 0 278.272 -1.400 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001603736454 974175658 /nfs/dbraw/zinc/17/56/58/974175658.db2.gz IVSGVGONPLXJAG-SECBINFHSA-N -1 0 279.318 -1.108 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC001602779321 971516112 /nfs/dbraw/zinc/51/61/12/971516112.db2.gz WPBSDLAKXLGOSS-QWRGUYRKSA-N -1 0 269.257 -1.560 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC001602779317 971516127 /nfs/dbraw/zinc/51/61/27/971516127.db2.gz WPBSDLAKXLGOSS-MNOVXSKESA-N -1 0 269.257 -1.560 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001602780410 971517820 /nfs/dbraw/zinc/51/78/20/971517820.db2.gz GGMYQKBCENOOEH-KEHGIVTQSA-N -1 0 279.252 -1.278 20 30 CAEDRM C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001602786001 971530208 /nfs/dbraw/zinc/53/02/08/971530208.db2.gz AGZRTKLDZVNLCS-SNVBAGLBSA-N -1 0 296.327 -1.024 20 30 CAEDRM C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001602786000 971530456 /nfs/dbraw/zinc/53/04/56/971530456.db2.gz AGZRTKLDZVNLCS-JTQLQIEISA-N -1 0 296.327 -1.024 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1C(=O)CN(C)C1=O ZINC000092478693 949150552 /nfs/dbraw/zinc/15/05/52/949150552.db2.gz TWOQRENLZAFGKC-UHFFFAOYSA-N -1 0 267.241 -1.573 20 30 CAEDRM C[C@@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001575864206 949354324 /nfs/dbraw/zinc/35/43/24/949354324.db2.gz GAIAJCWQJKCKOX-ZCFIWIBFSA-N -1 0 285.271 -1.147 20 30 CAEDRM O=C([O-])[C@@]1(C(=O)N[C@H]2CCN(O)C2=O)CCCO1 ZINC001595280192 949973183 /nfs/dbraw/zinc/97/31/83/949973183.db2.gz RTEMRUCNPJQLRR-WKEGUHRASA-N -1 0 258.230 -1.274 20 30 CAEDRM O=C([O-])[C@]1(C(=O)N[C@H]2CCN(O)C2=O)CCCO1 ZINC001595280191 949973211 /nfs/dbraw/zinc/97/32/11/949973211.db2.gz RTEMRUCNPJQLRR-QUBYGPBYSA-N -1 0 258.230 -1.274 20 30 CAEDRM N#CCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396736783 951486251 /nfs/dbraw/zinc/48/62/51/951486251.db2.gz KUYZYQLGXKMCHY-UHFFFAOYSA-N -1 0 254.246 -2.145 20 30 CAEDRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1=O ZINC001595154064 952155242 /nfs/dbraw/zinc/15/52/42/952155242.db2.gz CROUGRMRWNEBRQ-MRVPVSSYSA-N -1 0 295.251 -1.347 20 30 CAEDRM CN(CCC#N)S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001593728309 954299932 /nfs/dbraw/zinc/29/99/32/954299932.db2.gz GVJZQDKGJBMZPM-QMMMGPOBSA-N -1 0 265.291 -1.498 20 30 CAEDRM CN(CCNS(C)(=O)=O)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593750624 954402898 /nfs/dbraw/zinc/40/28/98/954402898.db2.gz DORWQGHIOZOKET-JTQLQIEISA-N -1 0 291.329 -1.001 20 30 CAEDRM Cn1nccc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001594599254 956119743 /nfs/dbraw/zinc/11/97/43/956119743.db2.gz NHJMZKWEWBERFK-UHFFFAOYSA-N -1 0 289.251 -1.252 20 30 CAEDRM Cn1ncnc1C1(O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1 ZINC001594599447 956121068 /nfs/dbraw/zinc/12/10/68/956121068.db2.gz WHHVCKWKYYLCGI-NSHDSACASA-N -1 0 293.283 -1.151 20 30 CAEDRM N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001594601369 956134420 /nfs/dbraw/zinc/13/44/20/956134420.db2.gz BETXBGORBNSQCF-UFBFGSQYSA-N -1 0 299.258 -1.237 20 30 CAEDRM N#C[C@@H](CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594602075 956141609 /nfs/dbraw/zinc/14/16/09/956141609.db2.gz UDHYZWGQRGZTAZ-YUMQZZPRSA-N -1 0 269.257 -1.690 20 30 CAEDRM N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001594605335 956163908 /nfs/dbraw/zinc/16/39/08/956163908.db2.gz BKFRCIKCHFXMDX-IUCAKERBSA-N -1 0 281.268 -1.330 20 30 CAEDRM N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001594605333 956164171 /nfs/dbraw/zinc/16/41/71/956164171.db2.gz BKFRCIKCHFXMDX-DTWKUNHWSA-N -1 0 281.268 -1.330 20 30 CAEDRM N#C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CCN1C1CC1 ZINC001594605801 956172035 /nfs/dbraw/zinc/17/20/35/956172035.db2.gz KAXPOXFOUYMMQV-SNVBAGLBSA-N -1 0 294.311 -1.224 20 30 CAEDRM N#CCC(=O)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001594605792 956172421 /nfs/dbraw/zinc/17/24/21/956172421.db2.gz KAWUHGKYNAQZFM-UHFFFAOYSA-N -1 0 269.257 -1.328 20 30 CAEDRM N#C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CCO1 ZINC001594605856 956173744 /nfs/dbraw/zinc/17/37/44/956173744.db2.gz KVMZCCJWSOGJRL-ZETCQYMHSA-N -1 0 255.230 -1.672 20 30 CAEDRM N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001594606237 956179744 /nfs/dbraw/zinc/17/97/44/956179744.db2.gz SQDSYJITRSYEAL-IUCAKERBSA-N -1 0 289.313 -1.138 20 30 CAEDRM N#C[C@H]1COCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594606505 956184163 /nfs/dbraw/zinc/18/41/63/956184163.db2.gz YOKXDTQLKICWLD-DTWKUNHWSA-N -1 0 253.258 -1.104 20 30 CAEDRM N#CCNC(=O)CNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001594609473 956192304 /nfs/dbraw/zinc/19/23/04/956192304.db2.gz AKBUNFOZGVLJIH-UHFFFAOYSA-N -1 0 251.202 -1.523 20 30 CAEDRM N#CCNC(=O)CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594609609 956193522 /nfs/dbraw/zinc/19/35/22/956193522.db2.gz FXWCZQHNIOGJQL-ZETCQYMHSA-N -1 0 290.301 -1.990 20 30 CAEDRM N#CCNC(=O)CNC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001594609669 956193600 /nfs/dbraw/zinc/19/36/00/956193600.db2.gz GIGBQEAMEOPHPB-SSDOTTSWSA-N -1 0 254.246 -1.258 20 30 CAEDRM N#CCN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594610065 956198457 /nfs/dbraw/zinc/19/84/57/956198457.db2.gz QDPPPAFXUMWBMG-VIFPVBQESA-N -1 0 266.257 -1.116 20 30 CAEDRM N#CCN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001594610064 956198569 /nfs/dbraw/zinc/19/85/69/956198569.db2.gz QDPPPAFXUMWBMG-SECBINFHSA-N -1 0 266.257 -1.116 20 30 CAEDRM C[C@H](O)CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001589152943 956341713 /nfs/dbraw/zinc/34/17/13/956341713.db2.gz UFWYCDUSTSGEGO-ZETCQYMHSA-N -1 0 267.241 -1.263 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2csnn2)c1=O ZINC001594632974 956354782 /nfs/dbraw/zinc/35/47/82/956354782.db2.gz JEWCUTWPBWZAJC-UHFFFAOYSA-N -1 0 293.264 -1.134 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@H]2CCC(=O)O2)c1=O ZINC001594632929 956354969 /nfs/dbraw/zinc/35/49/69/956354969.db2.gz INILIAMIGIPLIL-MRVPVSSYSA-N -1 0 293.235 -1.328 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CCCO)c1=O ZINC001594632973 956355794 /nfs/dbraw/zinc/35/57/94/956355794.db2.gz JDAJBPBNCDEOBG-UHFFFAOYSA-N -1 0 253.214 -1.651 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC(N)=O)c1=O ZINC001594633860 956359621 /nfs/dbraw/zinc/35/96/21/956359621.db2.gz YAXKTOOWHVTRKW-UHFFFAOYSA-N -1 0 252.186 -2.548 20 30 CAEDRM COCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(N)=O ZINC001593990781 956842431 /nfs/dbraw/zinc/84/24/31/956842431.db2.gz PGEDQHFFRQVWKZ-HQJQHLMTSA-N -1 0 271.273 -1.002 20 30 CAEDRM C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001603133771 972224287 /nfs/dbraw/zinc/22/42/87/972224287.db2.gz WEUVYZOKUDYHBH-SFYZADRCSA-N -1 0 277.302 -1.092 20 30 CAEDRM C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001603133773 972224587 /nfs/dbraw/zinc/22/45/87/972224587.db2.gz WEUVYZOKUDYHBH-YUMQZZPRSA-N -1 0 277.302 -1.092 20 30 CAEDRM C[C@H](CO)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001603203199 972312665 /nfs/dbraw/zinc/31/26/65/972312665.db2.gz WGJFZOVDJBDLFN-ZETCQYMHSA-N -1 0 267.241 -1.405 20 30 CAEDRM C#CC[C@H](CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588388523 957994941 /nfs/dbraw/zinc/99/49/41/957994941.db2.gz BWGNEWJVJGWAKQ-NXEZZACHSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@H](COC)NC(=O)C(=O)NCCC(=O)[O-] ZINC001588389140 958005371 /nfs/dbraw/zinc/00/53/71/958005371.db2.gz OJAKDBVFUYHENG-MRVPVSSYSA-N -1 0 256.258 -1.268 20 30 CAEDRM C#CCN(C)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588394970 958037200 /nfs/dbraw/zinc/03/72/00/958037200.db2.gz HNOFMOOPOPBLLP-UHFFFAOYSA-N -1 0 264.241 -1.002 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1nnn(C)c1C ZINC001588397328 958054350 /nfs/dbraw/zinc/05/43/50/958054350.db2.gz DUZKVVSWQSGFPU-UHFFFAOYSA-N -1 0 279.256 -1.392 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccn(C)c1=O ZINC001588397332 958054385 /nfs/dbraw/zinc/05/43/85/958054385.db2.gz DXDLNWIWYOPXEJ-UHFFFAOYSA-N -1 0 291.263 -1.130 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)N=c1nc[nH]n1C ZINC001588397628 958060964 /nfs/dbraw/zinc/06/09/64/958060964.db2.gz OKKKSEKDARXUAQ-UHFFFAOYSA-N -1 0 265.229 -2.278 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](CCC)S(N)(=O)=O ZINC001588397776 958064005 /nfs/dbraw/zinc/06/40/05/958064005.db2.gz UFTFCLCJAFJXRF-QMMMGPOBSA-N -1 0 276.314 -1.010 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001588397851 958064823 /nfs/dbraw/zinc/06/48/23/958064823.db2.gz WONUOKSZBOFVSR-UHFFFAOYSA-N -1 0 289.251 -1.108 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001588399031 958069050 /nfs/dbraw/zinc/06/90/50/958069050.db2.gz FZUVXROFBVQGBK-SSDOTTSWSA-N -1 0 260.271 -1.776 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001588399232 958071462 /nfs/dbraw/zinc/07/14/62/958071462.db2.gz HNSUWKAOAIJRNH-JTQLQIEISA-N -1 0 268.269 -1.220 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001588400103 958077846 /nfs/dbraw/zinc/07/78/46/958077846.db2.gz RGQBCKMKWTVURA-QWRGUYRKSA-N -1 0 265.313 -1.079 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001588400105 958078169 /nfs/dbraw/zinc/07/81/69/958078169.db2.gz RGQBCKMKWTVURA-WDEREUQCSA-N -1 0 265.313 -1.079 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001588401708 958084078 /nfs/dbraw/zinc/08/40/78/958084078.db2.gz AXWDMKJKWHBUIT-UHFFFAOYSA-N -1 0 281.224 -2.047 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CNC(=O)CNC(C)=O ZINC001588401855 958085485 /nfs/dbraw/zinc/08/54/85/958085485.db2.gz FLNAPBSCGRQQMV-UHFFFAOYSA-N -1 0 269.257 -2.215 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C[C@H]1CC(=O)NC1=O ZINC001588401929 958085784 /nfs/dbraw/zinc/08/57/84/958085784.db2.gz GGLPQDLLXHGEDO-SSDOTTSWSA-N -1 0 252.226 -1.414 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1CCCCS1(=O)=O ZINC001588402123 958089266 /nfs/dbraw/zinc/08/92/66/958089266.db2.gz LNCWGQQMLVAJAA-UHFFFAOYSA-N -1 0 288.325 -1.042 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1ncn2nccc2c1=O ZINC001588407446 958099287 /nfs/dbraw/zinc/09/92/87/958099287.db2.gz NFLFFXYQJQFYCP-UHFFFAOYSA-N -1 0 289.251 -1.563 20 30 CAEDRM C[C@@H](CO)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001603203194 972312871 /nfs/dbraw/zinc/31/28/71/972312871.db2.gz WGJFZOVDJBDLFN-SSDOTTSWSA-N -1 0 267.241 -1.405 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1nc(C)n(C)c1=O ZINC001588407788 958103020 /nfs/dbraw/zinc/10/30/20/958103020.db2.gz VFDGASLCACEPSN-UHFFFAOYSA-N -1 0 266.257 -1.563 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001588408229 958106637 /nfs/dbraw/zinc/10/66/37/958106637.db2.gz BXSNKPHLJWATKB-UHFFFAOYSA-N -1 0 293.283 -1.131 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCCS(=O)(=O)NC ZINC001588408427 958109977 /nfs/dbraw/zinc/10/99/77/958109977.db2.gz MMHXATUCNWJVAV-UHFFFAOYSA-N -1 0 291.329 -1.345 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001588417416 958172981 /nfs/dbraw/zinc/17/29/81/958172981.db2.gz NCVGNPKEAPEFAU-JGVFFNPUSA-N -1 0 254.242 -1.434 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC001588417417 958173016 /nfs/dbraw/zinc/17/30/16/958173016.db2.gz NCVGNPKEAPEFAU-SFYZADRCSA-N -1 0 254.242 -1.434 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CSCC(=O)N1 ZINC001588417483 958174368 /nfs/dbraw/zinc/17/43/68/958174368.db2.gz QLCDJKQDRNMCEP-ZETCQYMHSA-N -1 0 256.283 -1.236 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001588417612 958175691 /nfs/dbraw/zinc/17/56/91/958175691.db2.gz ZAHWCTHTSOKLOU-ZETCQYMHSA-N -1 0 288.281 -2.554 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)NC(=O)N[C@H](C)COC ZINC001588420274 958200964 /nfs/dbraw/zinc/20/09/64/958200964.db2.gz SXRTUWGPXYXIHJ-SECBINFHSA-N -1 0 285.300 -1.133 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)N1CCNC(=O)C1 ZINC001588420242 958201766 /nfs/dbraw/zinc/20/17/66/958201766.db2.gz RSFOHOUFAOMVFX-UHFFFAOYSA-N -1 0 253.258 -2.035 20 30 CAEDRM C#CCN(CC(=O)[O-])Cc1cc(=O)n(C)c(=O)n1C ZINC001588423670 958208103 /nfs/dbraw/zinc/20/81/03/958208103.db2.gz BWAMKELEZZVVGF-UHFFFAOYSA-N -1 0 265.269 -1.396 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCC(=O)N(C)C1 ZINC001588426906 958234961 /nfs/dbraw/zinc/23/49/61/958234961.db2.gz GIQAMIHHBGEPIP-VIFPVBQESA-N -1 0 292.299 -1.009 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1COCCO1 ZINC001588427492 958247838 /nfs/dbraw/zinc/24/78/38/958247838.db2.gz ZQDINOPZGFOHFJ-VIFPVBQESA-N -1 0 281.272 -1.387 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001588431266 958266428 /nfs/dbraw/zinc/26/64/28/958266428.db2.gz VTZUMKQQPDXVSH-UHFFFAOYSA-N -1 0 297.311 -2.019 20 30 CAEDRM C#CCO[C@@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588431309 958266873 /nfs/dbraw/zinc/26/68/73/958266873.db2.gz MYVWPUNOCGRHAU-VIFPVBQESA-N -1 0 268.269 -1.220 20 30 CAEDRM C#CCN(CCC(=O)NCC(=O)OC)CC(=O)[O-] ZINC001588432362 958280362 /nfs/dbraw/zinc/28/03/62/958280362.db2.gz NNSYGXDQRSNOMK-UHFFFAOYSA-N -1 0 256.258 -1.315 20 30 CAEDRM C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588451108 958404299 /nfs/dbraw/zinc/40/42/99/958404299.db2.gz MUHZSIQIDSFVTQ-IUCAKERBSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=C[C@H](O)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001588452165 958418909 /nfs/dbraw/zinc/41/89/09/958418909.db2.gz KLUAOAMFDGIMSN-KWQFWETISA-N -1 0 259.258 -1.138 20 30 CAEDRM C=C[C@@H](O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001588453300 958434923 /nfs/dbraw/zinc/43/49/23/958434923.db2.gz WYNQMYXIQZOPAL-IONNQARKSA-N -1 0 258.274 -1.029 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)C(=O)[O-])C1=O ZINC001588464465 958491745 /nfs/dbraw/zinc/49/17/45/958491745.db2.gz RURXQQDSVFWKMO-UHFFFAOYSA-N -1 0 298.207 -1.840 20 30 CAEDRM C=CCOC[C@H](NC(=O)COCC(=O)[O-])C(=O)OC ZINC001588465055 958494920 /nfs/dbraw/zinc/49/49/20/958494920.db2.gz FSGPJHZLPUPIFX-QMMMGPOBSA-N -1 0 275.257 -1.052 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001573337478 958523525 /nfs/dbraw/zinc/52/35/25/958523525.db2.gz OKNGIOMSPGEZFP-QMMMGPOBSA-N -1 0 290.297 -1.067 20 30 CAEDRM CC(=O)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001588485623 958603852 /nfs/dbraw/zinc/60/38/52/958603852.db2.gz AUGLYELEKURRDD-UHFFFAOYSA-N -1 0 279.208 -1.876 20 30 CAEDRM CC(=Nn1ccc(=O)[nH]c1=O)c1cn(CC(=O)[O-])nn1 ZINC001588486173 958609818 /nfs/dbraw/zinc/60/98/18/958609818.db2.gz SWWGZUGSXBLDRB-UHFFFAOYSA-N -1 0 278.228 -1.103 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cn1ccnn1 ZINC001573365530 958621846 /nfs/dbraw/zinc/62/18/46/958621846.db2.gz WAMBPFWNPRVVHA-KCJUWKMLSA-N -1 0 281.272 -1.240 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cn1ccnn1 ZINC001573365533 958622261 /nfs/dbraw/zinc/62/22/61/958622261.db2.gz WAMBPFWNPRVVHA-KWQFWETISA-N -1 0 281.272 -1.240 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cn1ccnn1 ZINC001573365535 958622416 /nfs/dbraw/zinc/62/24/16/958622416.db2.gz WAMBPFWNPRVVHA-LDYMZIIASA-N -1 0 281.272 -1.240 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001588536818 958936294 /nfs/dbraw/zinc/93/62/94/958936294.db2.gz ZSBBZSOAAROFBX-SNVBAGLBSA-N -1 0 289.313 -1.249 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001588538690 958943952 /nfs/dbraw/zinc/94/39/52/958943952.db2.gz MPQXYLAHEPMRCC-MFKMUULPSA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CN1CCOCC1 ZINC001588538686 958944474 /nfs/dbraw/zinc/94/44/74/958944474.db2.gz MPQXYLAHEPMRCC-GWCFXTLKSA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCC#N ZINC001588539067 958951685 /nfs/dbraw/zinc/95/16/85/958951685.db2.gz WFFAMEBXTWNNBB-JTQLQIEISA-N -1 0 252.230 -1.253 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000149590134 959019342 /nfs/dbraw/zinc/01/93/42/959019342.db2.gz WCBYZYWRQWVGGZ-ZETCQYMHSA-N -1 0 265.225 -1.871 20 30 CAEDRM C#CC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000149847908 959029714 /nfs/dbraw/zinc/02/97/14/959029714.db2.gz XRJPIROLMWVTHV-ZETCQYMHSA-N -1 0 281.268 -1.091 20 30 CAEDRM C[C@@](O)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001603262681 972447638 /nfs/dbraw/zinc/44/76/38/972447638.db2.gz AMNVUOHYKYNMJD-IONNQARKSA-N -1 0 293.301 -2.119 20 30 CAEDRM C[C@](O)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001603262680 972447855 /nfs/dbraw/zinc/44/78/55/972447855.db2.gz AMNVUOHYKYNMJD-CBAPKCEASA-N -1 0 293.301 -2.119 20 30 CAEDRM Cc1nnc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)o1 ZINC001594492865 959721220 /nfs/dbraw/zinc/72/12/20/959721220.db2.gz OMILMPAGBKOGRP-UHFFFAOYSA-N -1 0 291.223 -1.294 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571040936 960571016 /nfs/dbraw/zinc/57/10/16/960571016.db2.gz SCRGRTHHULOXSU-WCBMZHEXSA-N -1 0 291.329 -1.013 20 30 CAEDRM N#Cc1ncccc1S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000236503348 960693942 /nfs/dbraw/zinc/69/39/42/960693942.db2.gz DIAHVKRDNHPDRA-SSDOTTSWSA-N -1 0 271.254 -1.323 20 30 CAEDRM Cc1c(C#N)c(=O)n(CC(=O)[O-])c(=O)n1CCO ZINC001574298462 960711883 /nfs/dbraw/zinc/71/18/83/960711883.db2.gz DJEDIZCIXRBWBN-UHFFFAOYSA-N -1 0 253.214 -1.733 20 30 CAEDRM N#C[C@H]1C[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001574479607 961653008 /nfs/dbraw/zinc/65/30/08/961653008.db2.gz LIAFXSCAWKJOGN-BWZBUEFSSA-N -1 0 272.282 -1.144 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574480476 961663497 /nfs/dbraw/zinc/66/34/97/961663497.db2.gz KDIGXWAUIRLHCG-SSDOTTSWSA-N -1 0 265.229 -1.273 20 30 CAEDRM N#Cc1ncn(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)n1 ZINC001574494078 961724506 /nfs/dbraw/zinc/72/45/06/961724506.db2.gz VSLVUJUPBYJKPW-NSHDSACASA-N -1 0 279.256 -1.100 20 30 CAEDRM COC(=O)C1(O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1 ZINC001574046206 962109172 /nfs/dbraw/zinc/10/91/72/962109172.db2.gz NJRUJRMTRRUZAV-SNVBAGLBSA-N -1 0 270.241 -1.263 20 30 CAEDRM CO[C@@H](C(=O)[O-])C(=O)NCCn1cnc(C#N)n1 ZINC001574106651 962445986 /nfs/dbraw/zinc/44/59/86/962445986.db2.gz WYEZCQSYBMWFTC-SSDOTTSWSA-N -1 0 253.218 -1.634 20 30 CAEDRM C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)[O-] ZINC001573301507 962628062 /nfs/dbraw/zinc/62/80/62/962628062.db2.gz FIEYCVOQHZIIDL-VIFPVBQESA-N -1 0 257.290 -1.362 20 30 CAEDRM C#CC[C@H](NC(=O)CCNC(=O)COC)C(=O)[O-] ZINC001573302633 962657088 /nfs/dbraw/zinc/65/70/88/962657088.db2.gz ONXSIULPJOIBGL-QMMMGPOBSA-N -1 0 256.258 -1.268 20 30 CAEDRM C#CC[C@@H](NC(=O)CCNC(=O)COC)C(=O)[O-] ZINC001573302631 962657663 /nfs/dbraw/zinc/65/76/63/962657663.db2.gz ONXSIULPJOIBGL-MRVPVSSYSA-N -1 0 256.258 -1.268 20 30 CAEDRM C#CCN1CC2(C1)C[C@@H](NC(=O)CNC(=O)[O-])CO2 ZINC001573311238 962697063 /nfs/dbraw/zinc/69/70/63/962697063.db2.gz KIYVFZIEVQDMEN-SECBINFHSA-N -1 0 267.285 -1.153 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)CNC(=O)[O-])[C@H](O)C1 ZINC001573311360 962699013 /nfs/dbraw/zinc/69/90/13/962699013.db2.gz NHRWRSDEBVHHMN-RKDXNWHRSA-N -1 0 255.274 -1.561 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)CNC(=O)[O-])[C@@H](O)C1 ZINC001573311359 962699364 /nfs/dbraw/zinc/69/93/64/962699364.db2.gz NHRWRSDEBVHHMN-IUCAKERBSA-N -1 0 255.274 -1.561 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NC[C@]1(CO)COCCN1 ZINC001573331978 962822216 /nfs/dbraw/zinc/82/22/16/962822216.db2.gz BRCMBVCTUVQSLA-LBPRGKRZSA-N -1 0 272.301 -1.126 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CN(C)C(=O)COC)C(=O)[O-] ZINC001573369213 963094630 /nfs/dbraw/zinc/09/46/30/963094630.db2.gz PSCZSHITQLYIJH-SECBINFHSA-N -1 0 288.300 -1.137 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@H]1COC(=O)N1)C(=O)[O-] ZINC001573369428 963096891 /nfs/dbraw/zinc/09/68/91/963096891.db2.gz SRAQIKMXHNEWDP-RQJHMYQMSA-N -1 0 258.230 -1.133 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[O-] ZINC001573369444 963097695 /nfs/dbraw/zinc/09/76/95/963097695.db2.gz SWIHEAGLTAKHNT-GJMOJQLCSA-N -1 0 256.258 -1.120 20 30 CAEDRM N#C[C@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC000230761738 967733607 /nfs/dbraw/zinc/73/36/07/967733607.db2.gz YPVGOIQBBZUNFF-XPUUQOCRSA-N -1 0 253.214 -1.033 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCS(=O)(=O)NCC ZINC000231020369 967736509 /nfs/dbraw/zinc/73/65/09/967736509.db2.gz BHKNNNKENQHKME-UHFFFAOYSA-N -1 0 291.329 -1.345 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCN1C(=O)CCC1=O ZINC000405301533 968330168 /nfs/dbraw/zinc/33/01/68/968330168.db2.gz SWDWXRCRXLNZFA-UHFFFAOYSA-N -1 0 281.268 -1.135 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001609162383 970421024 /nfs/dbraw/zinc/42/10/24/970421024.db2.gz YUQMSYQKIMXVFX-VIFPVBQESA-N -1 0 268.269 -1.315 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001609696339 970457490 /nfs/dbraw/zinc/45/74/90/970457490.db2.gz PBUARWLKTHTZKG-IONNQARKSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@@H](C(=O)OCC(=O)NCC(=O)[O-])n1cnc(C#N)n1 ZINC001609744359 970512810 /nfs/dbraw/zinc/51/28/10/970512810.db2.gz XZLIBXFMBMJALF-LURJTMIESA-N -1 0 281.228 -1.545 20 30 CAEDRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001604134350 972547497 /nfs/dbraw/zinc/54/74/97/972547497.db2.gz YEGGDXBPKJNTGR-LBPRGKRZSA-N -1 0 283.284 -1.203 20 30 CAEDRM COC(=O)CCN(CC#N)CC(=O)NCC(=O)[O-] ZINC001604302878 972942818 /nfs/dbraw/zinc/94/28/18/972942818.db2.gz FBEFALJMVPFHOH-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM CO[C@@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001604432971 973223339 /nfs/dbraw/zinc/22/33/39/973223339.db2.gz WZIKFKKBCKPFPC-URLRMUCDSA-N -1 0 297.267 -1.271 20 30 CAEDRM CO[C@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001604432960 973223936 /nfs/dbraw/zinc/22/39/36/973223936.db2.gz WZIKFKKBCKPFPC-CUQRQBARSA-N -1 0 297.267 -1.271 20 30 CAEDRM COCC#CCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001604504751 973429795 /nfs/dbraw/zinc/42/97/95/973429795.db2.gz DVICQFIWBJHBBO-VIFPVBQESA-N -1 0 261.299 -1.180 20 30 CAEDRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCN(O)C2=O)nn1 ZINC001606325892 973749344 /nfs/dbraw/zinc/74/93/44/973749344.db2.gz IEKGGGGKRGDBKD-YFKPBYRVSA-N -1 0 269.217 -1.917 20 30 CAEDRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCN(O)C2=O)nn1 ZINC001606325891 973749451 /nfs/dbraw/zinc/74/94/51/973749451.db2.gz IEKGGGGKRGDBKD-RXMQYKEDSA-N -1 0 269.217 -1.917 20 30 CAEDRM O=C([O-])Cn1cccc(C(=O)NCC#CCO)c1=O ZINC001606355261 973809087 /nfs/dbraw/zinc/80/90/87/973809087.db2.gz NDHGVYHMRRWJBN-UHFFFAOYSA-N -1 0 264.237 -1.342 20 30 CAEDRM N#CCNC(=O)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605586341 973880708 /nfs/dbraw/zinc/88/07/08/973880708.db2.gz UCPHLQLZEZMQJX-LJGSYFOKSA-N -1 0 254.246 -1.211 20 30 CAEDRM C[C@@](CO)(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001592750701 979314694 /nfs/dbraw/zinc/31/46/94/979314694.db2.gz OAIKRRKPBJGFBX-CBAPKCEASA-N -1 0 293.301 -2.119 20 30 CAEDRM CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001595306984 980463171 /nfs/dbraw/zinc/46/31/71/980463171.db2.gz RUYOECVSOMOQHY-SFYZADRCSA-N -1 0 277.302 -1.092 20 30 CAEDRM CC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001595306983 980463237 /nfs/dbraw/zinc/46/32/37/980463237.db2.gz RUYOECVSOMOQHY-JGVFFNPUSA-N -1 0 277.302 -1.092 20 30 CAEDRM C#C[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCCO1 ZINC001588370785 983322193 /nfs/dbraw/zinc/32/21/93/983322193.db2.gz NIPBUNCWWKSBNY-XHNCKOQMSA-N -1 0 286.259 -1.178 20 30 CAEDRM C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001588371031 983323656 /nfs/dbraw/zinc/32/36/56/983323656.db2.gz UNMKEOXFWBXCSU-QMMMGPOBSA-N -1 0 272.282 -1.004 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001588383803 983384361 /nfs/dbraw/zinc/38/43/61/983384361.db2.gz LDGYIIGTGABMQV-KXUCPTDWSA-N -1 0 280.280 -1.316 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588383859 983384939 /nfs/dbraw/zinc/38/49/39/983384939.db2.gz NCEUWQUFYRWYSM-NXEZZACHSA-N -1 0 280.280 -1.220 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588383878 983385240 /nfs/dbraw/zinc/38/52/40/983385240.db2.gz NVHHOQHURDBSJV-QMMMGPOBSA-N -1 0 264.241 -1.163 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001588383862 983385266 /nfs/dbraw/zinc/38/52/66/983385266.db2.gz NCEUWQUFYRWYSM-ZJUUUORDSA-N -1 0 280.280 -1.220 20 30 CAEDRM C#CC[C@H](CO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001588396398 983408274 /nfs/dbraw/zinc/40/82/74/983408274.db2.gz WECJLTOZJWEOPE-NXEZZACHSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@@H](CO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001588396399 983408494 /nfs/dbraw/zinc/40/84/94/983408494.db2.gz WECJLTOZJWEOPE-UWVGGRQHSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H](O)CC(=O)OCC)C(=O)[O-] ZINC001588398001 983409958 /nfs/dbraw/zinc/40/99/58/983409958.db2.gz APLURSVHHAOHLN-JGVFFNPUSA-N -1 0 257.242 -1.107 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC001588398458 983413123 /nfs/dbraw/zinc/41/31/23/983413123.db2.gz JMYSFWKFNZFXMK-FKTZTGRPSA-N -1 0 282.296 -1.145 20 30 CAEDRM C#CC[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)[O-] ZINC001588404688 983418412 /nfs/dbraw/zinc/41/84/12/983418412.db2.gz GDPQGLAQEWLWSH-ZETCQYMHSA-N -1 0 267.241 -1.527 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001588406455 983425579 /nfs/dbraw/zinc/42/55/79/983425579.db2.gz QQOVYXCUDNSZLK-UWVGGRQHSA-N -1 0 268.269 -1.174 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)[O-] ZINC001588406989 983426711 /nfs/dbraw/zinc/42/67/11/983426711.db2.gz CQVMVRFRDLSXKO-JGVFFNPUSA-N -1 0 266.257 -1.076 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1nc(C)oc1=O)C(=O)[O-] ZINC001588406963 983426813 /nfs/dbraw/zinc/42/68/13/983426813.db2.gz BWPUNXPYXAELJQ-ZETCQYMHSA-N -1 0 253.214 -1.263 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OC ZINC001588407844 983429525 /nfs/dbraw/zinc/42/95/25/983429525.db2.gz PGBQUUVWSUTSCT-ZETCQYMHSA-N -1 0 280.240 -1.343 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H]1CSCC(=O)N1)C(=O)[O-] ZINC001588408034 983430349 /nfs/dbraw/zinc/43/03/49/983430349.db2.gz VSZWPMJNXAINHR-BQBZGAKWSA-N -1 0 256.283 -1.189 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1ncn(C)c1=O)C(=O)[O-] ZINC001588408150 983430778 /nfs/dbraw/zinc/43/07/78/983430778.db2.gz ZGAZQJVBECRGBF-ZETCQYMHSA-N -1 0 252.230 -1.826 20 30 CAEDRM C#CC[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001588415641 983435227 /nfs/dbraw/zinc/43/52/27/983435227.db2.gz CDBFSRCGKFRJNF-MRVPVSSYSA-N -1 0 297.292 -1.065 20 30 CAEDRM C#CC[C@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC001588416214 983436422 /nfs/dbraw/zinc/43/64/22/983436422.db2.gz KXAOHIFCRQRTSJ-LURJTMIESA-N -1 0 265.229 -2.030 20 30 CAEDRM C#CC[C@@H](NC(=O)c1nccnc1C(N)=O)C(=O)[O-] ZINC001588421882 983443203 /nfs/dbraw/zinc/44/32/03/983443203.db2.gz POTPYZXZIRVQTA-ZCFIWIBFSA-N -1 0 262.225 -1.218 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001588423563 983452963 /nfs/dbraw/zinc/45/29/63/983452963.db2.gz LABBOPCKLSLWHQ-IWEMQMMOSA-N -1 0 297.358 -1.128 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001588423861 983454177 /nfs/dbraw/zinc/45/41/77/983454177.db2.gz PWPLECUJRULPRO-SECBINFHSA-N -1 0 275.330 -1.455 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)c1nncn1C)C(=O)[O-] ZINC001588428417 983461713 /nfs/dbraw/zinc/46/17/13/983461713.db2.gz NRPNOSJKQMWKLL-ZCFIWIBFSA-N -1 0 258.259 -1.430 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)c1nncn1C)C(=O)[O-] ZINC001588428416 983461785 /nfs/dbraw/zinc/46/17/85/983461785.db2.gz NRPNOSJKQMWKLL-LURJTMIESA-N -1 0 258.259 -1.430 20 30 CAEDRM C#CCC[C@@H](O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588434781 983472477 /nfs/dbraw/zinc/47/24/77/983472477.db2.gz SUOGWDZPCZVPCQ-MRVPVSSYSA-N -1 0 266.257 -1.133 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001588461100 983488954 /nfs/dbraw/zinc/48/89/54/983488954.db2.gz GGSBJNJDETWFFY-IUCAKERBSA-N -1 0 268.269 -1.628 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001588461101 983488971 /nfs/dbraw/zinc/48/89/71/983488971.db2.gz GGSBJNJDETWFFY-RKDXNWHRSA-N -1 0 268.269 -1.628 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001588461726 983490779 /nfs/dbraw/zinc/49/07/79/983490779.db2.gz ZFGLIAWOOYNNPE-BDAKNGLRSA-N -1 0 296.279 -1.590 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588461731 983490891 /nfs/dbraw/zinc/49/08/91/983490891.db2.gz ZFGLIAWOOYNNPE-RKDXNWHRSA-N -1 0 296.279 -1.590 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001588461730 983490938 /nfs/dbraw/zinc/49/09/38/983490938.db2.gz ZFGLIAWOOYNNPE-IUCAKERBSA-N -1 0 296.279 -1.590 20 30 CAEDRM C#CCN1CCN(C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])CC1 ZINC001588476489 983511329 /nfs/dbraw/zinc/51/13/29/983511329.db2.gz CRTMKJKXDJJIKN-RYUDHWBXSA-N -1 0 295.339 -1.716 20 30 CAEDRM C#CCN1CCN(C(=O)CN[C@](C)(COC)C(=O)[O-])CC1 ZINC001588477740 983517420 /nfs/dbraw/zinc/51/74/20/983517420.db2.gz ZHRUTOOQLHKCPR-CQSZACIVSA-N -1 0 297.355 -1.157 20 30 CAEDRM C#CCNC(=O)CCN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001588479176 983517855 /nfs/dbraw/zinc/51/78/55/983517855.db2.gz BAHIHYUZIWZOEO-VIFPVBQESA-N -1 0 267.285 -1.647 20 30 CAEDRM C#CCNC(=O)CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001588479182 983517874 /nfs/dbraw/zinc/51/78/74/983517874.db2.gz BEVPKSXHAJKRMX-BDAKNGLRSA-N -1 0 295.295 -1.921 20 30 CAEDRM C#CCNC(=O)CC(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001588479184 983517935 /nfs/dbraw/zinc/51/79/35/983517935.db2.gz BEVPKSXHAJKRMX-IUCAKERBSA-N -1 0 295.295 -1.921 20 30 CAEDRM C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001588483757 983521976 /nfs/dbraw/zinc/52/19/76/983521976.db2.gz HDMGCEIWFKOVGM-NXEZZACHSA-N -1 0 281.312 -1.496 20 30 CAEDRM C#CCNC(=O)CN1CCN([C@@H](C=C)C(=O)[O-])CC1 ZINC001588483813 983522193 /nfs/dbraw/zinc/52/21/93/983522193.db2.gz KBYVJSSESMZVER-NSHDSACASA-N -1 0 265.313 -1.007 20 30 CAEDRM C#CCNCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001588485096 983523613 /nfs/dbraw/zinc/52/36/13/983523613.db2.gz AUZWCPRLIBVSSZ-MRVPVSSYSA-N -1 0 253.258 -2.037 20 30 CAEDRM C#CCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588489654 983528598 /nfs/dbraw/zinc/52/85/98/983528598.db2.gz ANYWWQSMIRVFBT-BDAKNGLRSA-N -1 0 289.309 -1.265 20 30 CAEDRM C#CCOCCNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588490985 983534946 /nfs/dbraw/zinc/53/49/46/983534946.db2.gz BCPPBTQVWREQGW-UHFFFAOYSA-N -1 0 252.230 -1.258 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC001588542888 983609968 /nfs/dbraw/zinc/60/99/68/983609968.db2.gz SUPILVZCWCDVAH-DTWKUNHWSA-N -1 0 285.300 -1.098 20 30 CAEDRM C=C(C)C[C@H](NC(=O)Cn1nnc(N)n1)C(=O)[O-] ZINC001588544140 983613315 /nfs/dbraw/zinc/61/33/15/983613315.db2.gz UXMLQPZPGGETBC-LURJTMIESA-N -1 0 254.250 -1.209 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC001588548195 983623228 /nfs/dbraw/zinc/62/32/28/983623228.db2.gz NCPLAXLZOHNWLG-SSDOTTSWSA-N -1 0 281.272 -1.087 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)N(CC(N)=O)CC(N)=O ZINC001588612572 983703467 /nfs/dbraw/zinc/70/34/67/983703467.db2.gz SLCDRXJHUIKWEL-UHFFFAOYSA-N -1 0 257.246 -1.793 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(C1)NC(=O)NC2=O ZINC001588613883 983705412 /nfs/dbraw/zinc/70/54/12/983705412.db2.gz GNGPJVWHMNFLCD-UHFFFAOYSA-N -1 0 267.241 -1.172 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NCCN1CCNC(=O)C1 ZINC001588624305 983731234 /nfs/dbraw/zinc/73/12/34/983731234.db2.gz DQQROJRASPTUJF-UHFFFAOYSA-N -1 0 269.301 -1.045 20 30 CAEDRM C=C(CO)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001588637569 983760363 /nfs/dbraw/zinc/76/03/63/983760363.db2.gz QCUPMIMXCMTEJZ-QMMMGPOBSA-N -1 0 277.298 -1.365 20 30 CAEDRM C=C[C@@H](NCc1nnc2n1CCNC2=O)C(=O)[O-] ZINC001588701499 983914444 /nfs/dbraw/zinc/91/44/44/983914444.db2.gz RNGPBXZOYFSUGE-ZCFIWIBFSA-N -1 0 251.246 -1.250 20 30 CAEDRM C=C[C@H](NCc1nnc2n1CCNC2=O)C(=O)[O-] ZINC001588701496 983914549 /nfs/dbraw/zinc/91/45/49/983914549.db2.gz RNGPBXZOYFSUGE-LURJTMIESA-N -1 0 251.246 -1.250 20 30 CAEDRM C=CC[C@H](C(=O)[O-])N1CCN(CC(N)=O)C(=O)C1 ZINC001588730512 983999851 /nfs/dbraw/zinc/99/98/51/983999851.db2.gz SOOXYUKEEQOHGN-MRVPVSSYSA-N -1 0 255.274 -1.355 20 30 CAEDRM C=CCCN(C)C(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001588805807 984255889 /nfs/dbraw/zinc/25/58/89/984255889.db2.gz OUFUSUZYCOHKJB-UHFFFAOYSA-N -1 0 256.258 -1.321 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)[O-] ZINC001588853556 984384458 /nfs/dbraw/zinc/38/44/58/984384458.db2.gz AFZNQLCWUAHYSV-MRVPVSSYSA-N -1 0 299.283 -1.348 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CN1CCNC(=O)C1)C(=O)[O-] ZINC001588853806 984386077 /nfs/dbraw/zinc/38/60/77/984386077.db2.gz IRMNHBPUEXSJOP-SECBINFHSA-N -1 0 285.300 -1.810 20 30 CAEDRM C=CCOC[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588853842 984386993 /nfs/dbraw/zinc/38/69/93/984386993.db2.gz JMJUCCADYHTNJV-SFYZADRCSA-N -1 0 284.268 -1.189 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@@H]1OCCN(C)C1=O)C(=O)[O-] ZINC001588854443 984390774 /nfs/dbraw/zinc/39/07/74/984390774.db2.gz ZJGORZJJBFKACN-BDAKNGLRSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=CCOC[C@H](NC(=O)CSCC(N)=O)C(=O)[O-] ZINC001588856315 984398976 /nfs/dbraw/zinc/39/89/76/984398976.db2.gz GSALDQGIRFWAFD-ZETCQYMHSA-N -1 0 276.314 -1.023 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CSCC(N)=O)C(=O)[O-] ZINC001588856313 984399043 /nfs/dbraw/zinc/39/90/43/984399043.db2.gz GSALDQGIRFWAFD-SSDOTTSWSA-N -1 0 276.314 -1.023 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001588856943 984402362 /nfs/dbraw/zinc/40/23/62/984402362.db2.gz SRAQIKMXHNEWDP-NKWVEPMBSA-N -1 0 258.230 -1.133 20 30 CAEDRM C=CCOC[C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)[O-] ZINC001588856947 984402433 /nfs/dbraw/zinc/40/24/33/984402433.db2.gz SULVHUWQMSDTHK-QMMMGPOBSA-N -1 0 294.329 -1.350 20 30 CAEDRM C=CCOC[C@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC001588859892 984409148 /nfs/dbraw/zinc/40/91/48/984409148.db2.gz AKDSPDKHLOHHRR-QMMMGPOBSA-N -1 0 297.271 -1.851 20 30 CAEDRM C=CCOC[C@H](NC(=O)c1nc2n(n1)CCCN2)C(=O)[O-] ZINC001588860476 984413261 /nfs/dbraw/zinc/41/32/61/984413261.db2.gz VSIQMFWVZZPZFN-QMMMGPOBSA-N -1 0 295.299 -1.263 20 30 CAEDRM C=CCOC[C@@H](NC(=O)c1nc2n(n1)CCCN2)C(=O)[O-] ZINC001588860475 984413275 /nfs/dbraw/zinc/41/32/75/984413275.db2.gz VSIQMFWVZZPZFN-MRVPVSSYSA-N -1 0 295.299 -1.263 20 30 CAEDRM C=CCSCCNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001588878839 984455521 /nfs/dbraw/zinc/45/55/21/984455521.db2.gz KZIAHBRXBYSEHQ-UHFFFAOYSA-N -1 0 288.325 -1.320 20 30 CAEDRM C=C[C@@H]1OCC[C@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001588916363 984560081 /nfs/dbraw/zinc/56/00/81/984560081.db2.gz HXPJOOMOHMIOOC-SFYZADRCSA-N -1 0 256.258 -1.106 20 30 CAEDRM C=C[C@H](CO)NC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001588919691 984573314 /nfs/dbraw/zinc/57/33/14/984573314.db2.gz IKLDXRRQUVBQGU-MRVPVSSYSA-N -1 0 273.289 -1.187 20 30 CAEDRM C/C(=C/C(=O)[O-])Cn1c(=O)c(C#N)cn(CCO)c1=O ZINC001588952320 984685160 /nfs/dbraw/zinc/68/51/60/984685160.db2.gz NKQVYKAKCQGJEP-YWEYNIOJSA-N -1 0 279.252 -1.095 20 30 CAEDRM C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001599903035 984876592 /nfs/dbraw/zinc/87/65/92/984876592.db2.gz UDCMQMHJWNGCMO-NKWVEPMBSA-N -1 0 263.275 -1.482 20 30 CAEDRM C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001599903034 984877525 /nfs/dbraw/zinc/87/75/25/984877525.db2.gz UDCMQMHJWNGCMO-BQBZGAKWSA-N -1 0 263.275 -1.482 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001589330900 986180623 /nfs/dbraw/zinc/18/06/23/986180623.db2.gz UJPYGXZYGHOTSS-APPZFPTMSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589352141 986321195 /nfs/dbraw/zinc/32/11/95/986321195.db2.gz HJVKQROVTUJHMC-HQJQHLMTSA-N -1 0 279.256 -1.241 20 30 CAEDRM C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])n1cnc(C#N)n1 ZINC001589387937 986493953 /nfs/dbraw/zinc/49/39/53/986493953.db2.gz LCEMBDAWRSTDGD-RITPCOANSA-N -1 0 253.218 -1.728 20 30 CAEDRM C[C@@H](C(=O)NC[C@H](O)C(=O)[O-])n1cnc(C#N)n1 ZINC001589414015 986624928 /nfs/dbraw/zinc/62/49/28/986624928.db2.gz UZZSYNIYUGXISG-WDSKDSINSA-N -1 0 253.218 -1.728 20 30 CAEDRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001599831061 988674631 /nfs/dbraw/zinc/67/46/31/988674631.db2.gz YGXHBQABGZLLQF-YUMQZZPRSA-N -1 0 277.302 -1.140 20 30 CAEDRM CN(C)S(=O)(=O)N(C)CC(=O)N(CC#N)CC(=O)[O-] ZINC001598262860 991103602 /nfs/dbraw/zinc/10/36/02/991103602.db2.gz XFCXNEOIYAPTIE-UHFFFAOYSA-N -1 0 292.317 -1.839 20 30 CAEDRM CN(CCC#N)C(=O)CCN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001598468537 991988846 /nfs/dbraw/zinc/98/88/46/991988846.db2.gz OSZOYDXOQZKYKD-JTQLQIEISA-N -1 0 296.327 -1.024 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001598468987 991994474 /nfs/dbraw/zinc/99/44/74/991994474.db2.gz PBMQAUFDIWLEGW-DTWKUNHWSA-N -1 0 291.329 -1.156 20 30 CAEDRM CN(CCC#N)C[C@@H](O)CN1CC(O)(C(=O)[O-])C1 ZINC001598469200 991997614 /nfs/dbraw/zinc/99/76/14/991997614.db2.gz VFMVFOUQRXUDNF-SECBINFHSA-N -1 0 257.290 -1.676 20 30 CAEDRM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])CC(=O)NCC#N ZINC001598489043 992256828 /nfs/dbraw/zinc/25/68/28/992256828.db2.gz JVBHGRDXTMCKLE-IUCAKERBSA-N -1 0 282.300 -1.605 20 30 CAEDRM CN1C[C@@H](C(=O)[O-])N(CC(=O)NCC#N)CC1=O ZINC001598563582 993116273 /nfs/dbraw/zinc/11/62/73/993116273.db2.gz MSBMPHUZWHOWBB-ZETCQYMHSA-N -1 0 254.246 -2.147 20 30 CAEDRM CN1CC[C@H](C(=O)N(CC#N)CC(=O)[O-])S1(=O)=O ZINC001598579096 993316285 /nfs/dbraw/zinc/31/62/85/993316285.db2.gz VICVJYJYZKSGKR-SSDOTTSWSA-N -1 0 275.286 -1.543 20 30 CAEDRM CN1CCN(CC(=O)N(CC#N)CC(=O)[O-])CC1=O ZINC001598616492 993891631 /nfs/dbraw/zinc/89/16/31/993891631.db2.gz USNOKDMZNWDLLT-UHFFFAOYSA-N -1 0 268.273 -1.803 20 30 CAEDRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCC#N ZINC001598766582 995837928 /nfs/dbraw/zinc/83/79/28/995837928.db2.gz GEIOCNLBINQYBY-BDAKNGLRSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC(=O)NCC#N)C1 ZINC001598779299 995965412 /nfs/dbraw/zinc/96/54/12/995965412.db2.gz OVTURFXLXIYCPS-IUCAKERBSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC(=O)NCC#N)C1 ZINC001598779297 995965619 /nfs/dbraw/zinc/96/56/19/995965619.db2.gz OVTURFXLXIYCPS-DTWKUNHWSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)n1cnc(C#N)n1 ZINC001598860811 996672995 /nfs/dbraw/zinc/67/29/95/996672995.db2.gz JNYUGYYDTLOWCR-ZETCQYMHSA-N -1 0 295.255 -1.203 20 30 CAEDRM C[C@@]1(CC(=O)N(CC#N)CC(=O)[O-])CCS(=O)(=O)N1 ZINC001593996287 997304161 /nfs/dbraw/zinc/30/41/61/997304161.db2.gz OVGRPFDKPDIGCM-JTQLQIEISA-N -1 0 289.313 -1.105 20 30 CAEDRM C[C@]1(CC(=O)N(CC#N)CC(=O)[O-])CCS(=O)(=O)N1 ZINC001593996288 997304388 /nfs/dbraw/zinc/30/43/88/997304388.db2.gz OVGRPFDKPDIGCM-SNVBAGLBSA-N -1 0 289.313 -1.105 20 30 CAEDRM C[C@@]1(CCC(=O)[O-])NC(=O)N(CC(=O)NCC#N)C1=O ZINC001594003288 997397230 /nfs/dbraw/zinc/39/72/30/997397230.db2.gz SNLYEXLRADEHOH-NSHDSACASA-N -1 0 282.256 -1.199 20 30 CAEDRM C[C@]1(CCC(=O)[O-])NC(=O)N(CC(=O)NCC#N)C1=O ZINC001594003287 997398035 /nfs/dbraw/zinc/39/80/35/997398035.db2.gz SNLYEXLRADEHOH-LLVKDONJSA-N -1 0 282.256 -1.199 20 30 CAEDRM CON=CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599320550 997573014 /nfs/dbraw/zinc/57/30/14/997573014.db2.gz QERHNKXALLDVEH-SSDOTTSWSA-N -1 0 257.246 -1.190 20 30 CAEDRM COCC#CC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599138731 998090070 /nfs/dbraw/zinc/09/00/70/998090070.db2.gz ORJHWQGFEPMQDE-UHFFFAOYSA-N -1 0 252.230 -1.258 20 30 CAEDRM COCC#CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001599138988 998093979 /nfs/dbraw/zinc/09/39/79/998093979.db2.gz QOQZXRZQWTYDTP-IUCAKERBSA-N -1 0 269.253 -1.032 20 30 CAEDRM COCC#CCN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001599139074 998095984 /nfs/dbraw/zinc/09/59/84/998095984.db2.gz RZYGIRVDWQMLGU-UWVGGRQHSA-N -1 0 295.295 -1.285 20 30 CAEDRM COCC#CC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001599139710 998106724 /nfs/dbraw/zinc/10/67/24/998106724.db2.gz XHCNGFCJBGIXED-UHFFFAOYSA-N -1 0 289.309 -1.216 20 30 CAEDRM COCCn1cc(C(=O)N(CC#N)CC(=O)[O-])nn1 ZINC001599269733 998529728 /nfs/dbraw/zinc/52/97/28/998529728.db2.gz ASDSOPHVJRXDFW-UHFFFAOYSA-N -1 0 267.245 -1.025 20 30 CAEDRM COC[C@@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])OC ZINC001599167327 998561820 /nfs/dbraw/zinc/56/18/20/998561820.db2.gz VSISFNUZRYOETA-QMMMGPOBSA-N -1 0 280.302 -1.112 20 30 CAEDRM CN(CC(=O)[O-])c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000262102432 529840201 /nfs/dbraw/zinc/84/02/01/529840201.db2.gz IYQAIXQCIJCUER-UHFFFAOYSA-N -1 0 252.230 -1.524 20 30 CAEDRM COC(=O)c1cc(S(=O)(=O)[N-]CC#CCO)on1 ZINC001191935260 781925271 /nfs/dbraw/zinc/92/52/71/781925271.db2.gz RENDXGXODIBNTG-UHFFFAOYSA-N -1 0 274.254 -1.265 20 30 CAEDRM CCOC(=O)[C@H]([N-]S(=O)(=O)CC#N)[C@@H](C)O ZINC001192995448 781960486 /nfs/dbraw/zinc/96/04/86/781960486.db2.gz ZCFFIBFBAFZQGC-RNFRBKRXSA-N -1 0 250.276 -1.258 20 30 CAEDRM N#CCS(=O)(=O)[N-][C@@H]1COCCC12OCCO2 ZINC001192993909 781961008 /nfs/dbraw/zinc/96/10/08/781961008.db2.gz MATIQQALVDGJGG-MRVPVSSYSA-N -1 0 262.287 -1.039 20 30 CAEDRM N#CCS(=O)(=O)[N-][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001192993269 781961211 /nfs/dbraw/zinc/96/12/11/781961211.db2.gz BJYHTOSGOZUZCO-LXGUWJNJSA-N -1 0 282.274 -3.928 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CC(=O)[O-])C1=O ZINC000427710356 372936477 /nfs/dbraw/zinc/93/64/77/372936477.db2.gz DVVPBJNFGFILMO-SSDOTTSWSA-N -1 0 297.267 -1.057 20 30 CAEDRM COC(=O)[C@H](Cc1cncn1C)[N-]S(=O)(=O)CC#N ZINC001193003096 781961331 /nfs/dbraw/zinc/96/13/31/781961331.db2.gz XCRPGWCJSSTKCR-VIFPVBQESA-N -1 0 286.313 -1.053 20 30 CAEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000593252115 373088906 /nfs/dbraw/zinc/08/89/06/373088906.db2.gz YENLTCLWUWRJOE-JGVFFNPUSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000593250955 373090144 /nfs/dbraw/zinc/09/01/44/373090144.db2.gz ICODYXZIQNCAMU-CSMHCCOUSA-N -1 0 279.318 -1.254 20 30 CAEDRM N#CCNC(=O)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595262438 373109323 /nfs/dbraw/zinc/10/93/23/373109323.db2.gz IBNXVIPPIZFSQK-PRHODGIISA-N -1 0 296.283 -1.631 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000563225965 373280040 /nfs/dbraw/zinc/28/00/40/373280040.db2.gz IDDHWKQVKSMOTH-QMMMGPOBSA-N -1 0 279.318 -1.298 20 30 CAEDRM CC(C)CNC(=O)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000569810873 373233551 /nfs/dbraw/zinc/23/35/51/373233551.db2.gz VYNSEKNBQDNXTL-UHFFFAOYSA-N -1 0 293.283 -1.110 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cn1 ZINC000159550711 373303401 /nfs/dbraw/zinc/30/34/01/373303401.db2.gz BOEGHIKYKAKAGJ-MRVPVSSYSA-N -1 0 271.254 -1.323 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000563225413 373280702 /nfs/dbraw/zinc/28/07/02/373280702.db2.gz ICODYXZIQNCAMU-GJMOJQLCSA-N -1 0 279.318 -1.254 20 30 CAEDRM C#CCO[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000291272279 373501044 /nfs/dbraw/zinc/50/10/44/373501044.db2.gz NVZBOVIQIZUBMN-UHFFFAOYSA-N -1 0 291.267 -1.885 20 30 CAEDRM N#CCS(=O)(=O)[N-][C@H]1COCCC12OCCO2 ZINC001192993910 781961408 /nfs/dbraw/zinc/96/14/08/781961408.db2.gz MATIQQALVDGJGG-QMMMGPOBSA-N -1 0 262.287 -1.039 20 30 CAEDRM C=C(C)CS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000514942066 373721903 /nfs/dbraw/zinc/72/19/03/373721903.db2.gz PSPQORBUQYATEX-ZCFIWIBFSA-N -1 0 250.276 -1.190 20 30 CAEDRM COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)CC#N ZINC001192993767 781962199 /nfs/dbraw/zinc/96/21/99/781962199.db2.gz JMXBRKVLGPPRBF-LURJTMIESA-N -1 0 264.259 -1.164 20 30 CAEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@H](C#N)C(N)=O ZINC001193078051 781962793 /nfs/dbraw/zinc/96/27/93/781962793.db2.gz NEXZQJULQJYPFV-ZCFIWIBFSA-N -1 0 277.302 -1.375 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000619708952 373878180 /nfs/dbraw/zinc/87/81/80/373878180.db2.gz BQEQKEHWBHXJKW-SECBINFHSA-N -1 0 277.302 -1.090 20 30 CAEDRM C[C@@H](C#N)S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193168976 781963562 /nfs/dbraw/zinc/96/35/62/781963562.db2.gz OWBDILOPEUAJHM-ZLUOBGJFSA-N -1 0 297.314 -1.780 20 30 CAEDRM C[C@@H](C#N)S(=O)(=O)[N-][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001193168857 781963474 /nfs/dbraw/zinc/96/34/74/781963474.db2.gz MRJCCCWXMKFEGV-OFPUPOEVSA-N -1 0 296.301 -3.540 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N(CCO)CCC(=O)[O-] ZINC000614376010 373875840 /nfs/dbraw/zinc/87/58/40/373875840.db2.gz UJFDLHOPACFMQG-UHFFFAOYSA-N -1 0 279.318 -1.154 20 30 CAEDRM COCCN(CCC#N)S(=O)(=O)NCC(=O)[O-] ZINC000566564069 373948266 /nfs/dbraw/zinc/94/82/66/373948266.db2.gz LYLALUDVJCCTNX-UHFFFAOYSA-N -1 0 265.291 -1.233 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000567114274 373953152 /nfs/dbraw/zinc/95/31/52/373953152.db2.gz ICODYXZIQNCAMU-RNJXMRFFSA-N -1 0 279.318 -1.254 20 30 CAEDRM C=CCCS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000269314173 373956760 /nfs/dbraw/zinc/95/67/60/373956760.db2.gz YJGDSYUUHSRWNV-UHFFFAOYSA-N -1 0 250.276 -1.317 20 30 CAEDRM N#Cc1cc(C(=O)NC(CO)(CO)CO)ccc1[O-] ZINC001193511348 781971209 /nfs/dbraw/zinc/97/12/09/781971209.db2.gz ARGJOOVPDMSWJV-UHFFFAOYSA-N -1 0 266.253 -1.291 20 30 CAEDRM N#Cc1cc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)ccc1[O-] ZINC001193519189 781972862 /nfs/dbraw/zinc/97/28/62/781972862.db2.gz SQMGJPQVKPVEFS-SRVKXCTJSA-N -1 0 288.311 -1.603 20 30 CAEDRM Cn1nnc(C[N-]S(=O)(=O)c2cccnc2C#N)n1 ZINC000362982853 252180232 /nfs/dbraw/zinc/18/02/32/252180232.db2.gz PLFWRZKNMCKCJK-UHFFFAOYSA-N -1 0 279.285 -1.045 20 30 CAEDRM Cn1[n-]c(C(=O)N(O)C(=N)c2nonc2N)cc1=O ZINC001194189861 781986139 /nfs/dbraw/zinc/98/61/39/781986139.db2.gz JNQSLRMAUFPPNK-UHFFFAOYSA-N -1 0 267.205 -1.052 20 30 CAEDRM CO[N-]C(=O)CNS(=O)(=O)N(C)CCC#N ZINC001195566846 782009481 /nfs/dbraw/zinc/00/94/81/782009481.db2.gz RHXABOMLKHBALR-UHFFFAOYSA-N -1 0 250.280 -1.656 20 30 CAEDRM CO[N-]C(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001195567836 782010340 /nfs/dbraw/zinc/01/03/40/782010340.db2.gz VDCKMRSCYZAHJV-ZETCQYMHSA-N -1 0 278.290 -2.277 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)C(=O)[O-])C1=O ZINC000655561492 409420304 /nfs/dbraw/zinc/42/03/04/409420304.db2.gz NFJIHXRGUPMIGO-ZETCQYMHSA-N -1 0 297.267 -1.200 20 30 CAEDRM CN(C)c1nc(N)nc(Cn2c(=O)[n-]cc(C#N)c2=O)n1 ZINC000592354982 409486529 /nfs/dbraw/zinc/48/65/29/409486529.db2.gz PKVWVWAGAUMVIL-UHFFFAOYSA-N -1 0 288.271 -1.710 20 30 CAEDRM C=CCOC[C@H](NC(=O)C1(n2cnnn2)CC1)C(=O)[O-] ZINC000659156235 409553179 /nfs/dbraw/zinc/55/31/79/409553179.db2.gz KEWHGYMRGOWAKR-QMMMGPOBSA-N -1 0 281.272 -1.066 20 30 CAEDRM N#Cc1ccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c([O-])c1 ZINC001195768517 782013740 /nfs/dbraw/zinc/01/37/40/782013740.db2.gz MVJZEGSEQZIEBV-SRVKXCTJSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1ccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c([O-])c1 ZINC001195768515 782015123 /nfs/dbraw/zinc/01/51/23/782015123.db2.gz MVJZEGSEQZIEBV-GRYCIOLGSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1ccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c([O-])c1 ZINC001195768516 782015190 /nfs/dbraw/zinc/01/51/90/782015190.db2.gz MVJZEGSEQZIEBV-SDDRHHMPSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#C[C@H](NC(=O)c1c[nH]c(=S)[nH]c1=O)C(N)=O ZINC001196023896 782022604 /nfs/dbraw/zinc/02/26/04/782022604.db2.gz NNTGBCBLVFUENK-BYPYZUCNSA-N -1 0 253.243 -1.422 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000575200851 335080428 /nfs/dbraw/zinc/08/04/28/335080428.db2.gz MARKEIQIWFOGBF-QMMMGPOBSA-N -1 0 277.302 -1.138 20 30 CAEDRM Cn1c(NCCC(=O)[O-])c(C#N)c(=O)n(C)c1=O ZINC000262153485 230224143 /nfs/dbraw/zinc/22/41/43/230224143.db2.gz ROLVDEAFDMYWNY-UHFFFAOYSA-N -1 0 252.230 -1.158 20 30 CAEDRM N#CCCCS(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000278161027 263045540 /nfs/dbraw/zinc/04/55/40/263045540.db2.gz CEICAHOMPQWQSM-UHFFFAOYSA-N -1 0 277.302 -1.200 20 30 CAEDRM C#CCO[N-]C(=O)CNS(=O)(=O)CCOCC ZINC000291191192 263120733 /nfs/dbraw/zinc/12/07/33/263120733.db2.gz GQVIUJFSAMHOLR-UHFFFAOYSA-N -1 0 264.303 -1.377 20 30 CAEDRM N#C[C@@H]([N-]S(=O)(=O)Cc1ccccn1)C(N)=O ZINC001197849468 782059229 /nfs/dbraw/zinc/05/92/29/782059229.db2.gz XQVGNRUOYFGSLO-MRVPVSSYSA-N -1 0 254.271 -1.122 20 30 CAEDRM COCCCNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000563128953 327927910 /nfs/dbraw/zinc/92/79/10/327927910.db2.gz YROHWTXUTCJPMC-UHFFFAOYSA-N -1 0 266.257 -1.439 20 30 CAEDRM N#CC1(CS(=O)(=O)NCCC(=O)NCC(=O)[O-])CC1 ZINC000278184576 328224282 /nfs/dbraw/zinc/22/42/82/328224282.db2.gz FOYVISOPBAWCDW-UHFFFAOYSA-N -1 0 289.313 -1.200 20 30 CAEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000518542526 327173569 /nfs/dbraw/zinc/17/35/69/327173569.db2.gz YENLTCLWUWRJOE-SFYZADRCSA-N -1 0 279.318 -1.252 20 30 CAEDRM COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000566311134 327301959 /nfs/dbraw/zinc/30/19/59/327301959.db2.gz ADTVFYJTQPBEBV-QMMMGPOBSA-N -1 0 295.317 -1.872 20 30 CAEDRM C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396739803 329317482 /nfs/dbraw/zinc/31/74/82/329317482.db2.gz CCQPVPCLLAMHIZ-VIFPVBQESA-N -1 0 269.301 -1.094 20 30 CAEDRM CCOC(=O)CN(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000584529550 329513407 /nfs/dbraw/zinc/51/34/07/329513407.db2.gz MNHASTFBZAKFGU-UHFFFAOYSA-N -1 0 294.267 -1.570 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000572005219 329936611 /nfs/dbraw/zinc/93/66/11/329936611.db2.gz QFKZEQAAAKSLLK-SSDOTTSWSA-N -1 0 292.317 -1.887 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCC(=O)[O-])C1=O ZINC000262843600 330032455 /nfs/dbraw/zinc/03/24/55/330032455.db2.gz DPPIBGKJXSTZCO-UHFFFAOYSA-N -1 0 297.267 -1.104 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)C(=O)[O-])C1=O ZINC000262882069 330036028 /nfs/dbraw/zinc/03/60/28/330036028.db2.gz LUBZWAUZOFVEFE-ZETCQYMHSA-N -1 0 297.267 -1.105 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)C(=O)[O-])C1=O ZINC000262882065 330036053 /nfs/dbraw/zinc/03/60/53/330036053.db2.gz LUBZWAUZOFVEFE-SSDOTTSWSA-N -1 0 297.267 -1.105 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)[O-])C1=O ZINC000263143015 330043425 /nfs/dbraw/zinc/04/34/25/330043425.db2.gz VPZPKRMBLORHNM-UHFFFAOYSA-N -1 0 283.240 -1.494 20 30 CAEDRM C=CCOCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424252746 330332380 /nfs/dbraw/zinc/33/23/80/330332380.db2.gz WSKYSOMSNMSTBX-MRVPVSSYSA-N -1 0 277.298 -1.101 20 30 CAEDRM CO[C@@H](CNS(=O)(=O)N(C)CCC#N)C(=O)[O-] ZINC000547884856 334128844 /nfs/dbraw/zinc/12/88/44/334128844.db2.gz OLAVDJTWTZTFLE-ZETCQYMHSA-N -1 0 265.291 -1.234 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000564335872 334132303 /nfs/dbraw/zinc/13/23/03/334132303.db2.gz UFHFIFLPNUETIZ-ZETCQYMHSA-N -1 0 292.317 -1.744 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000548234571 334146963 /nfs/dbraw/zinc/14/69/63/334146963.db2.gz JKTGDPFEWGKXSQ-UHFFFAOYSA-N -1 0 265.291 -1.544 20 30 CAEDRM N#CC1(CS(=O)(=O)N(CCO)CC(=O)[O-])CC1 ZINC000548241527 334147001 /nfs/dbraw/zinc/14/70/01/334147001.db2.gz MNSLQACBWMBVDT-UHFFFAOYSA-N -1 0 262.287 -1.001 20 30 CAEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000564662000 334515631 /nfs/dbraw/zinc/51/56/31/334515631.db2.gz WVLMEXBPQIXAIC-YUMQZZPRSA-N -1 0 279.318 -1.252 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000576527811 335215512 /nfs/dbraw/zinc/21/55/12/335215512.db2.gz AZXVAPRUCVUFJD-RKDXNWHRSA-N -1 0 263.319 -1.184 20 30 CAEDRM C[C@H](O)[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-] ZINC000576640837 335229581 /nfs/dbraw/zinc/22/95/81/335229581.db2.gz YKHUIYWVRMLNQW-BIIVOSGPSA-N -1 0 279.318 -1.111 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000579236579 335725119 /nfs/dbraw/zinc/72/51/19/335725119.db2.gz CHYWJGPGBOYBID-NKWVEPMBSA-N -1 0 265.291 -1.642 20 30 CAEDRM CCn1cc(C#N)c(=O)n(CC(=O)NCC(=O)[O-])c1=O ZINC000580893079 335980357 /nfs/dbraw/zinc/98/03/57/335980357.db2.gz NQVVUYCGRZSGIV-UHFFFAOYSA-N -1 0 280.240 -1.898 20 30 CAEDRM COC(=O)CCCS(=O)(=O)N[C@H](C#N)C(N)=O ZINC001201920561 782109161 /nfs/dbraw/zinc/10/91/61/782109161.db2.gz CEANJDZHNIDFJJ-ZCFIWIBFSA-N -1 0 263.275 -1.764 20 30 CAEDRM CC(=O)NCCN(CC(=O)NCC#N)[C@@H](C)C(=O)[O-] ZINC000819770241 582178108 /nfs/dbraw/zinc/17/81/08/582178108.db2.gz LKWOEPXXSBDGON-QMMMGPOBSA-N -1 0 270.289 -1.463 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCNS(C)(=O)=O ZINC000819841568 582178188 /nfs/dbraw/zinc/17/81/88/582178188.db2.gz AZBCVPSLYWOSCQ-SECBINFHSA-N -1 0 277.302 -1.344 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCS(N)(=O)=O ZINC000819841697 582178260 /nfs/dbraw/zinc/17/82/60/582178260.db2.gz CEWYERHCWGPYFX-QMMMGPOBSA-N -1 0 263.275 -1.604 20 30 CAEDRM CC(=NNS(C)(=O)=O)c1cn(CC(=O)[O-])nn1 ZINC000825804846 582189273 /nfs/dbraw/zinc/18/92/73/582189273.db2.gz YKHGBRJLCWKXAV-UHFFFAOYSA-N -1 0 261.263 -1.364 20 30 CAEDRM COC(=O)CN(CC#N)CCC(=O)N(C)CC(=O)[O-] ZINC000831163619 582200792 /nfs/dbraw/zinc/20/07/92/582200792.db2.gz BYDUMIHNWUTAFV-UHFFFAOYSA-N -1 0 271.273 -1.082 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842747954 582213222 /nfs/dbraw/zinc/21/32/22/582213222.db2.gz NTWZJJUDRFAHDL-SSDOTTSWSA-N -1 0 282.343 -1.348 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)N1CCO[C@H](C#N)C1 ZINC000845548112 582219241 /nfs/dbraw/zinc/21/92/41/582219241.db2.gz XQWFYDQGTBGGAN-MRVPVSSYSA-N -1 0 256.262 -1.012 20 30 CAEDRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000344992577 534255796 /nfs/dbraw/zinc/25/57/96/534255796.db2.gz JVUHHDRODBANSC-HTQZYQBOSA-N -1 0 295.292 -1.444 20 30 CAEDRM C#CCO[N-]C(=O)CNS(=O)(=O)CCCOC ZINC000812786612 582109113 /nfs/dbraw/zinc/10/91/13/582109113.db2.gz PGCCNZGFEMARPJ-UHFFFAOYSA-N -1 0 264.303 -1.377 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)[N-]OCC(C)(C)O)C1=O ZINC000791265090 582113825 /nfs/dbraw/zinc/11/38/25/582113825.db2.gz XAZDQBRRRSSBIX-UHFFFAOYSA-N -1 0 299.283 -1.218 20 30 CAEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)[N-]OCCO ZINC000787300395 582119577 /nfs/dbraw/zinc/11/95/77/582119577.db2.gz YYIQGWGPWDXQLJ-UHFFFAOYSA-N -1 0 299.308 -1.235 20 30 CAEDRM N#CCN(CC(=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000833067499 582124041 /nfs/dbraw/zinc/12/40/41/582124041.db2.gz ULUCUKJPTRBTPG-SNVBAGLBSA-N -1 0 257.290 -1.410 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000788067544 582128279 /nfs/dbraw/zinc/12/82/79/582128279.db2.gz GMOZVUUCEXIOMQ-UHFFFAOYSA-N -1 0 286.309 -1.005 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O ZINC000788070908 582129101 /nfs/dbraw/zinc/12/91/01/582129101.db2.gz MQLXHUCRGKEALG-UHFFFAOYSA-N -1 0 286.309 -1.005 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736080406 582129983 /nfs/dbraw/zinc/12/99/83/582129983.db2.gz VQVUYISGASXUTE-GHMZBOCLSA-N -1 0 293.323 -1.399 20 30 CAEDRM C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)[O-])CC1 ZINC000736079008 582130028 /nfs/dbraw/zinc/13/00/28/582130028.db2.gz FSMPSHUYWZKFPW-UHFFFAOYSA-N -1 0 296.327 -1.462 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736080409 582130038 /nfs/dbraw/zinc/13/00/38/582130038.db2.gz VQVUYISGASXUTE-MNOVXSKESA-N -1 0 293.323 -1.399 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[O-])CC1 ZINC000736080322 582130060 /nfs/dbraw/zinc/13/00/60/582130060.db2.gz SYWYFMWTXFJCJD-UHFFFAOYSA-N -1 0 282.300 -1.852 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)[O-])CC1 ZINC000736079150 582130108 /nfs/dbraw/zinc/13/01/08/582130108.db2.gz IHXVGPBVVIWBTM-UHFFFAOYSA-N -1 0 296.327 -1.462 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)[O-])C1=O ZINC000736106969 582130331 /nfs/dbraw/zinc/13/03/31/582130331.db2.gz NUIYIKJUEGXYFI-UHFFFAOYSA-N -1 0 270.197 -1.409 20 30 CAEDRM C=CCNC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O ZINC000736106056 582130344 /nfs/dbraw/zinc/13/03/44/582130344.db2.gz RNGCQBRDNHXCSO-UHFFFAOYSA-N -1 0 291.267 -1.020 20 30 CAEDRM C=CCNC(=O)NC(=O)Cn1cnc(C(=O)[O-])n1 ZINC000736105864 582130367 /nfs/dbraw/zinc/13/03/67/582130367.db2.gz MWJOFRJMCXKYQI-UHFFFAOYSA-N -1 0 253.218 -1.012 20 30 CAEDRM C=CCNC(=O)NC(=O)CN(CC(=O)[O-])CC(=O)OC ZINC000736105778 582130411 /nfs/dbraw/zinc/13/04/11/582130411.db2.gz KAPHKUKYZBDBTN-UHFFFAOYSA-N -1 0 287.272 -1.442 20 30 CAEDRM C=CCOCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000736109339 582130529 /nfs/dbraw/zinc/13/05/29/582130529.db2.gz JGZOKPYOMCFINE-MRVPVSSYSA-N -1 0 256.258 -1.009 20 30 CAEDRM C=CCOCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736109340 582130576 /nfs/dbraw/zinc/13/05/76/582130576.db2.gz JGZOKPYOMCFINE-QMMMGPOBSA-N -1 0 256.258 -1.009 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)N=c1nn[n-]n1CC ZINC000888324364 582131671 /nfs/dbraw/zinc/13/16/71/582131671.db2.gz WBZPCMPFFBUZSZ-MRVPVSSYSA-N -1 0 250.262 -1.019 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NN1CC(=O)NC1=O ZINC000819847308 582132583 /nfs/dbraw/zinc/13/25/83/582132583.db2.gz LCTZFCHATXXCPH-SECBINFHSA-N -1 0 254.202 -1.426 20 30 CAEDRM CCN1CCN(CC(=O)N(CC#N)CC(=O)[O-])C(=O)C1=O ZINC000737115660 582136120 /nfs/dbraw/zinc/13/61/20/582136120.db2.gz OTYWLPZRAJWUTM-UHFFFAOYSA-N -1 0 296.283 -1.886 20 30 CAEDRM CN1CC(=O)N(CC(=O)N(CC#N)CC(=O)[O-])C1=O ZINC000737505289 582137061 /nfs/dbraw/zinc/13/70/61/582137061.db2.gz HNFZQJBIJXMUJR-UHFFFAOYSA-N -1 0 268.229 -1.683 20 30 CAEDRM C#CCOCCNC(=O)c1cnc([O-])n(C)c1=O ZINC000753225948 582144192 /nfs/dbraw/zinc/14/41/92/582144192.db2.gz HJJRSEGGZUOJSA-UHFFFAOYSA-N -1 0 251.242 -1.135 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)CNC(=O)CNC(C)=O ZINC000762066905 582148136 /nfs/dbraw/zinc/14/81/36/582148136.db2.gz RUCVIPANHWOOKL-UHFFFAOYSA-N -1 0 271.273 -1.662 20 30 CAEDRM N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000766926153 582151075 /nfs/dbraw/zinc/15/10/75/582151075.db2.gz GSWSPQFCWRHYJX-UHFFFAOYSA-N -1 0 297.292 -1.132 20 30 CAEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925520 582151093 /nfs/dbraw/zinc/15/10/93/582151093.db2.gz BUTPIXYKIPNFNC-SSDOTTSWSA-N -1 0 264.303 -1.101 20 30 CAEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766927687 582151119 /nfs/dbraw/zinc/15/11/19/582151119.db2.gz POAJAAZXTOMGTO-UHFFFAOYSA-N -1 0 264.303 -1.100 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000772715849 582153666 /nfs/dbraw/zinc/15/36/66/582153666.db2.gz WNFJQJDPDYKYER-UHFFFAOYSA-N -1 0 289.313 -1.050 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000772716879 582153726 /nfs/dbraw/zinc/15/37/26/582153726.db2.gz IUSJHEUIWHDNOZ-UHFFFAOYSA-N -1 0 264.303 -1.277 20 30 CAEDRM C#CCOCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000784606193 582159889 /nfs/dbraw/zinc/15/98/89/582159889.db2.gz LPUVKIFAOTXORS-UHFFFAOYSA-N -1 0 275.268 -1.163 20 30 CAEDRM C=CCOC[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OC ZINC000796458010 582166091 /nfs/dbraw/zinc/16/60/91/582166091.db2.gz GBQGSOWSHZJHBZ-QMMMGPOBSA-N -1 0 269.257 -1.277 20 30 CAEDRM C=CCOCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800552079 582167734 /nfs/dbraw/zinc/16/77/34/582167734.db2.gz ZZKVOACXTSIROG-UHFFFAOYSA-N -1 0 264.303 -1.229 20 30 CAEDRM C#CCOCCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800553155 582167834 /nfs/dbraw/zinc/16/78/34/582167834.db2.gz JMJDQOQYUJGKHN-UHFFFAOYSA-N -1 0 276.314 -1.392 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CS(C)(=O)=O ZINC000810772418 582171690 /nfs/dbraw/zinc/17/16/90/582171690.db2.gz ZVXMVRSJRJDXCG-UHFFFAOYSA-N -1 0 253.301 -1.500 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000810785456 582171704 /nfs/dbraw/zinc/17/17/04/582171704.db2.gz HYGBUFUCWYAXJP-MRVPVSSYSA-N -1 0 258.299 -1.066 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000810777027 582171733 /nfs/dbraw/zinc/17/17/33/582171733.db2.gz RZWQJFQIIYIJIV-UHFFFAOYSA-N -1 0 274.298 -1.686 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000810778661 582171735 /nfs/dbraw/zinc/17/17/35/582171735.db2.gz ILAHGGDVCBIMAX-UHFFFAOYSA-N -1 0 258.299 -1.066 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000810786681 582171757 /nfs/dbraw/zinc/17/17/57/582171757.db2.gz SNTNJVIATXKDBC-UHFFFAOYSA-N -1 0 299.308 -1.984 20 30 CAEDRM C#CCO[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000812783717 582172096 /nfs/dbraw/zinc/17/20/96/582172096.db2.gz CJSFLDYABGXJEC-UHFFFAOYSA-N -1 0 291.267 -1.885 20 30 CAEDRM C[C@H](NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O)C1CC1 ZINC000814223133 582172753 /nfs/dbraw/zinc/17/27/53/582172753.db2.gz BNTUPBFSKMOVHE-BYPYZUCNSA-N -1 0 283.313 -1.029 20 30 CAEDRM COC[C@H](C)NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814215605 582172762 /nfs/dbraw/zinc/17/27/62/582172762.db2.gz QRPCOMMQBBXICG-BYPYZUCNSA-N -1 0 287.301 -1.793 20 30 CAEDRM CSCCNC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814225604 582172801 /nfs/dbraw/zinc/17/28/01/582172801.db2.gz JAIUXEZXCJUEES-UHFFFAOYSA-N -1 0 289.342 -1.465 20 30 CAEDRM O=C1[N-]C(=O)C(=NNC(=S)NC[C@@H]2CCCO2)C(=O)N1 ZINC000814213394 582172823 /nfs/dbraw/zinc/17/28/23/582172823.db2.gz KVBABAXHKKMPAB-YFKPBYRVSA-N -1 0 299.312 -1.649 20 30 CAEDRM C#CCN1CCN(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000817668504 582175111 /nfs/dbraw/zinc/17/51/11/582175111.db2.gz CEKJQXGTMWWEOF-GFCCVEGCSA-N -1 0 295.339 -1.451 20 30 CAEDRM C#CCN1CCN(C(=O)CN(C)CC(=O)[O-])CC1 ZINC000817668681 582175126 /nfs/dbraw/zinc/17/51/26/582175126.db2.gz SQWDDIAKBRRQLR-UHFFFAOYSA-N -1 0 253.302 -1.220 20 30 CAEDRM C#CCN(CC(=O)NCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000819700903 582177720 /nfs/dbraw/zinc/17/77/20/582177720.db2.gz OKCAWFFYAITCJQ-SECBINFHSA-N -1 0 288.325 -1.691 20 30 CAEDRM C#CCNC(=O)C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819700850 582177750 /nfs/dbraw/zinc/17/77/50/582177750.db2.gz KZPDDHWJNSAXMM-UHFFFAOYSA-N -1 0 281.312 -1.351 20 30 CAEDRM C=CCN(CC(=O)NCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000819713491 582177772 /nfs/dbraw/zinc/17/77/72/582177772.db2.gz OURSAARILAIXOK-VIFPVBQESA-N -1 0 290.341 -1.138 20 30 CAEDRM C#CCNC(=O)CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819700864 582177791 /nfs/dbraw/zinc/17/77/91/582177791.db2.gz LSXCKJFHKXSSNG-UHFFFAOYSA-N -1 0 296.327 -2.446 20 30 CAEDRM C#CCCN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819700990 582177794 /nfs/dbraw/zinc/17/77/94/582177794.db2.gz URTDOUABLHPXFX-UHFFFAOYSA-N -1 0 253.302 -1.172 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000819821501 582178011 /nfs/dbraw/zinc/17/80/11/582178011.db2.gz HOFMZRKXEXJCEZ-JVXZTZIISA-N -1 0 294.267 -1.246 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819812091 582178027 /nfs/dbraw/zinc/17/80/27/582178027.db2.gz YQUGVAJGNZNPLC-XCBNKYQSSA-N -1 0 289.313 -1.120 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819812090 582178053 /nfs/dbraw/zinc/17/80/53/582178053.db2.gz YQUGVAJGNZNPLC-OIBJUYFYSA-N -1 0 289.313 -1.120 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCn1ncnn1 ZINC000819843154 582178249 /nfs/dbraw/zinc/17/82/49/582178249.db2.gz YOGZCHKZQWVKAP-SECBINFHSA-N -1 0 252.234 -1.206 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000819833212 582178286 /nfs/dbraw/zinc/17/82/86/582178286.db2.gz FJWZMAGEDZOZNT-ZWNOBZJWSA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NC(N)=O ZINC000819832907 582178291 /nfs/dbraw/zinc/17/82/91/582178291.db2.gz DKWVHLDELHGCAJ-JTQLQIEISA-N -1 0 270.245 -1.308 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC(N)=O ZINC000819866578 582178422 /nfs/dbraw/zinc/17/84/22/582178422.db2.gz YPPMOTFQLVTFFN-SECBINFHSA-N -1 0 257.202 -1.271 20 30 CAEDRM CNC(=O)Cn1cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC000820637101 582180258 /nfs/dbraw/zinc/18/02/58/582180258.db2.gz CFKSCAWPJQQSEP-NSHDSACASA-N -1 0 294.271 -1.033 20 30 CAEDRM CNC(=O)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820637437 582180320 /nfs/dbraw/zinc/18/03/20/582180320.db2.gz MLLBTJZALXRYLB-JTQLQIEISA-N -1 0 271.229 -1.010 20 30 CAEDRM CNC(=O)[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1 ZINC000820631063 582180367 /nfs/dbraw/zinc/18/03/67/582180367.db2.gz OCUCNJZPQCFSAN-PELKAZGASA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820672860 582180674 /nfs/dbraw/zinc/18/06/74/582180674.db2.gz DNPCSGNSHUOOBF-WKEGUHRASA-N -1 0 258.230 -1.359 20 30 CAEDRM COCCNC(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820729877 582180685 /nfs/dbraw/zinc/18/06/85/582180685.db2.gz CUEFQVJDKXXCAW-NSHDSACASA-N -1 0 271.273 -1.130 20 30 CAEDRM COCCN(CC(=O)[O-])c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000820723588 582180698 /nfs/dbraw/zinc/18/06/98/582180698.db2.gz WAMAQPHBJRIXBV-UHFFFAOYSA-N -1 0 296.283 -1.507 20 30 CAEDRM COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(N)=O ZINC000820710787 582180699 /nfs/dbraw/zinc/18/06/99/582180699.db2.gz UBCFATALBVBPDX-WKEGUHRASA-N -1 0 257.246 -1.393 20 30 CAEDRM Cn1nncc1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000821013179 582181171 /nfs/dbraw/zinc/18/11/71/582181171.db2.gz VIVHQSYVKDJEME-SNAWJCMRSA-N -1 0 291.267 -1.186 20 30 CAEDRM C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823456697 582185516 /nfs/dbraw/zinc/18/55/16/582185516.db2.gz PIXUVXZDDYWERV-YIZRAAEISA-N -1 0 284.268 -1.219 20 30 CAEDRM C#CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823456696 582185532 /nfs/dbraw/zinc/18/55/32/582185532.db2.gz PIXUVXZDDYWERV-XHNCKOQMSA-N -1 0 284.268 -1.219 20 30 CAEDRM C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000823456694 582185604 /nfs/dbraw/zinc/18/56/04/582185604.db2.gz PIXUVXZDDYWERV-CIUDSAMLSA-N -1 0 284.268 -1.219 20 30 CAEDRM CC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000823575599 582185800 /nfs/dbraw/zinc/18/58/00/582185800.db2.gz UXXYWMPJQNGSAZ-MRVPVSSYSA-N -1 0 254.246 -1.163 20 30 CAEDRM C#CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000823850998 582186081 /nfs/dbraw/zinc/18/60/81/582186081.db2.gz XLAIPOYQIVNISU-UHFFFAOYSA-N -1 0 261.245 -1.691 20 30 CAEDRM CC#CCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000823944012 582186336 /nfs/dbraw/zinc/18/63/36/582186336.db2.gz WWKOCBPKZZPNLB-UHFFFAOYSA-N -1 0 275.272 -1.301 20 30 CAEDRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC(=O)NCC#N)CCO1 ZINC000825345973 582188504 /nfs/dbraw/zinc/18/85/04/582188504.db2.gz WUYYJIAHJMYBOF-RKDXNWHRSA-N -1 0 270.289 -1.017 20 30 CAEDRM C[C@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NCC#N)CCO1 ZINC000825345971 582188506 /nfs/dbraw/zinc/18/85/06/582188506.db2.gz WUYYJIAHJMYBOF-IUCAKERBSA-N -1 0 270.289 -1.017 20 30 CAEDRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC(=O)NCC#N)CCO1 ZINC000825345963 582188522 /nfs/dbraw/zinc/18/85/22/582188522.db2.gz WUYYJIAHJMYBOF-BDAKNGLRSA-N -1 0 270.289 -1.017 20 30 CAEDRM C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825472323 582188823 /nfs/dbraw/zinc/18/88/23/582188823.db2.gz GZTXPDJIUXXVND-NKWVEPMBSA-N -1 0 269.261 -1.242 20 30 CAEDRM C[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825472326 582188867 /nfs/dbraw/zinc/18/88/67/582188867.db2.gz GZTXPDJIUXXVND-RQJHMYQMSA-N -1 0 269.261 -1.242 20 30 CAEDRM CCNC(=O)NC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N ZINC000825471193 582188943 /nfs/dbraw/zinc/18/89/43/582188943.db2.gz PHBBGULHDAOBPY-UHFFFAOYSA-N -1 0 289.259 -1.219 20 30 CAEDRM C#CCN1CCN(C(=O)CN2CCOC[C@H]2C(=O)[O-])CC1 ZINC000825619853 582189173 /nfs/dbraw/zinc/18/91/73/582189173.db2.gz PZJNXMKGHRUMMT-LBPRGKRZSA-N -1 0 295.339 -1.451 20 30 CAEDRM CCS(=O)(=O)NCCn1cnc(-c2nnn[n-]2)c1C#N ZINC000825663517 582189186 /nfs/dbraw/zinc/18/91/86/582189186.db2.gz RDABUSIXHOZPQG-UHFFFAOYSA-N -1 0 296.316 -1.126 20 30 CAEDRM CCS(=O)(=O)NCCn1cnc(C#N)c1-c1nn[nH]n1 ZINC000825663915 582189249 /nfs/dbraw/zinc/18/92/49/582189249.db2.gz ZURVOKZAKXRFRK-UHFFFAOYSA-N -1 0 296.316 -1.126 20 30 CAEDRM Cn1c(NCCCC#N)c(-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000826355881 582190388 /nfs/dbraw/zinc/19/03/88/582190388.db2.gz QVUYLJKAUNYZDO-UHFFFAOYSA-N -1 0 290.287 -1.020 20 30 CAEDRM C[C@@H](NS(C)(=O)=O)C(=O)N(CC#N)CC(=O)[O-] ZINC000827767908 582193431 /nfs/dbraw/zinc/19/34/31/582193431.db2.gz MSYLNBSTXAQBSS-ZCFIWIBFSA-N -1 0 263.275 -1.639 20 30 CAEDRM CN(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000828051285 582194082 /nfs/dbraw/zinc/19/40/82/582194082.db2.gz LYJWOSZCIHWBCH-ZETCQYMHSA-N -1 0 262.291 -1.019 20 30 CAEDRM CNC(=O)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000828552662 582195504 /nfs/dbraw/zinc/19/55/04/582195504.db2.gz WNPXQYCFLFDNLV-ZETCQYMHSA-N -1 0 269.261 -1.370 20 30 CAEDRM CNC(=O)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N ZINC000828552661 582195520 /nfs/dbraw/zinc/19/55/20/582195520.db2.gz WNPXQYCFLFDNLV-SSDOTTSWSA-N -1 0 269.261 -1.370 20 30 CAEDRM CNC(=O)CNC(=S)NN=CCCNC(=O)[O-] ZINC000828542336 582195529 /nfs/dbraw/zinc/19/55/29/582195529.db2.gz JHUKWRNIOMHXAJ-UHFFFAOYSA-N -1 0 261.307 -1.160 20 30 CAEDRM CNS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000828573549 582195628 /nfs/dbraw/zinc/19/56/28/582195628.db2.gz SXZKXNUBVMRFSM-SSDOTTSWSA-N -1 0 290.301 -1.750 20 30 CAEDRM COC(=O)CN(CC#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828683295 582195931 /nfs/dbraw/zinc/19/59/31/582195931.db2.gz HQEZVOFABOOFOZ-MRVPVSSYSA-N -1 0 285.256 -1.110 20 30 CAEDRM COC[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828885520 582196108 /nfs/dbraw/zinc/19/61/08/582196108.db2.gz HAGDOSSHMIYORV-GFCCVEGCSA-N -1 0 298.299 -1.147 20 30 CAEDRM CS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000829669049 582197042 /nfs/dbraw/zinc/19/70/42/582197042.db2.gz JZLGUVCEEGADJU-SSDOTTSWSA-N -1 0 275.286 -1.255 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSCC(N)=O ZINC000831083079 582200311 /nfs/dbraw/zinc/20/03/11/582200311.db2.gz VSKIBUVDQTXJFM-SSDOTTSWSA-N -1 0 286.313 -1.081 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CCO1 ZINC000831076622 582200322 /nfs/dbraw/zinc/20/03/22/582200322.db2.gz PWFJGJNWNXKZTB-HLTSFMKQSA-N -1 0 269.257 -1.149 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSCC(N)=O ZINC000831083080 582200338 /nfs/dbraw/zinc/20/03/38/582200338.db2.gz VSKIBUVDQTXJFM-ZETCQYMHSA-N -1 0 286.313 -1.081 20 30 CAEDRM N#CCNC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000831102334 582200398 /nfs/dbraw/zinc/20/03/98/582200398.db2.gz HDXTUFSDKAJGHL-QMMMGPOBSA-N -1 0 251.246 -1.186 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CCO1 ZINC000831076623 582200351 /nfs/dbraw/zinc/20/03/51/582200351.db2.gz PWFJGJNWNXKZTB-IWSPIJDZSA-N -1 0 269.257 -1.149 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CCO1 ZINC000831076621 582200360 /nfs/dbraw/zinc/20/03/60/582200360.db2.gz PWFJGJNWNXKZTB-DJLDLDEBSA-N -1 0 269.257 -1.149 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cncn1 ZINC000831088134 582200381 /nfs/dbraw/zinc/20/03/81/582200381.db2.gz YGEPMSYEXLLANP-QMMMGPOBSA-N -1 0 264.245 -1.008 20 30 CAEDRM N#CCNC(=O)COC(=O)COC1CN(C(=O)[O-])C1 ZINC000831102346 582200392 /nfs/dbraw/zinc/20/03/92/582200392.db2.gz HLGKCJDHGMZHGY-UHFFFAOYSA-N -1 0 271.229 -1.452 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cnnn1 ZINC000831087869 582200399 /nfs/dbraw/zinc/20/03/99/582200399.db2.gz SKIPZDDYUKHLLD-SSDOTTSWSA-N -1 0 265.233 -1.613 20 30 CAEDRM N#CCCNC(=O)COC(=O)COC1CN(C(=O)[O-])C1 ZINC000831096981 582200416 /nfs/dbraw/zinc/20/04/16/582200416.db2.gz AOWHFGPXTYWCDK-UHFFFAOYSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#CCN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831102829 582200428 /nfs/dbraw/zinc/20/04/28/582200428.db2.gz VWXPHZGMPYPWSC-NXEZZACHSA-N -1 0 282.300 -1.233 20 30 CAEDRM N#CCN1CCN(C(=O)COCCNC(=O)[O-])CC1 ZINC000831102465 582200443 /nfs/dbraw/zinc/20/04/43/582200443.db2.gz KIKJFBQWFBZZIK-UHFFFAOYSA-N -1 0 270.289 -1.062 20 30 CAEDRM COC(=O)CN(CC#N)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000831164924 582200668 /nfs/dbraw/zinc/20/06/68/582200668.db2.gz VPXHQXDGZZEXCE-UHFFFAOYSA-N -1 0 281.228 -1.499 20 30 CAEDRM COC[C@@H](C)NC(=O)NC(=O)CN(CC#N)CC(=O)[O-] ZINC000831643738 582202860 /nfs/dbraw/zinc/20/28/60/582202860.db2.gz OKWYYXWGZXVUQA-MRVPVSSYSA-N -1 0 286.288 -1.243 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)Cn1cnc2c1ncnc2N ZINC000833066273 582205393 /nfs/dbraw/zinc/20/53/93/582205393.db2.gz RSSQLZSPCNZAFS-UHFFFAOYSA-N -1 0 289.255 -1.155 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833062558 582205397 /nfs/dbraw/zinc/20/53/97/582205397.db2.gz NDMWSGTXGWSZQU-SSDOTTSWSA-N -1 0 265.229 -1.273 20 30 CAEDRM N#CCN(CC(=O)[O-])CC(=O)NC(=O)NC1CC1 ZINC000833066002 582205406 /nfs/dbraw/zinc/20/54/06/582205406.db2.gz MVSYBLAYCXDWIQ-UHFFFAOYSA-N -1 0 254.246 -1.115 20 30 CAEDRM N#CCN(CC(=O)[O-])C[C@@H](O)CN1CCCC1=O ZINC000833067652 582205414 /nfs/dbraw/zinc/20/54/14/582205414.db2.gz WZQMGBISEDWDBC-SECBINFHSA-N -1 0 255.274 -1.120 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])n1 ZINC000833078105 582205419 /nfs/dbraw/zinc/20/54/19/582205419.db2.gz CJGHJHSTUBBPDP-SSDOTTSWSA-N -1 0 292.255 -2.049 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CC1SC(=N)NC1=O ZINC000833065515 582205434 /nfs/dbraw/zinc/20/54/34/582205434.db2.gz BINYEABMJJNGMZ-RXMQYKEDSA-N -1 0 270.270 -1.020 20 30 CAEDRM N#CCN(CC(=O)[O-])CC(=O)NCC(=O)N1CCCC1 ZINC000833066108 582205449 /nfs/dbraw/zinc/20/54/49/582205449.db2.gz ONLCZKRCDQJPKW-UHFFFAOYSA-N -1 0 282.300 -1.365 20 30 CAEDRM C#CCNC(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833365047 582205934 /nfs/dbraw/zinc/20/59/34/582205934.db2.gz AFPJZVRYOXJTJX-LLVKDONJSA-N -1 0 254.286 -1.107 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)CNC(=O)[O-] ZINC000833378752 582206106 /nfs/dbraw/zinc/20/61/06/582206106.db2.gz USOFETTWALODOG-UHFFFAOYSA-N -1 0 250.276 -1.029 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC000833376720 582206117 /nfs/dbraw/zinc/20/61/17/582206117.db2.gz QHFXBFSWJXYLFD-UHFFFAOYSA-N -1 0 285.300 -1.090 20 30 CAEDRM CC(C)(C#N)CS(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000833412591 582206141 /nfs/dbraw/zinc/20/61/41/582206141.db2.gz COAOALFMVBFTAG-LURJTMIESA-N -1 0 250.276 -1.099 20 30 CAEDRM C=CCNC(=O)CNS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000833376888 582206151 /nfs/dbraw/zinc/20/61/51/582206151.db2.gz UCIAVDWXRPCKFQ-ZETCQYMHSA-N -1 0 264.303 -1.071 20 30 CAEDRM NC(=O)CNC(=S)NN=Cc1cccn1CC(=O)[O-] ZINC000833761712 582206690 /nfs/dbraw/zinc/20/66/90/582206690.db2.gz SLWFILBIXYIQDD-UHFFFAOYSA-N -1 0 283.313 -1.144 20 30 CAEDRM COC[C@@](C)(C#N)NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833883012 582207189 /nfs/dbraw/zinc/20/71/89/582207189.db2.gz SXMFIIFYSWFWOE-SNVBAGLBSA-N -1 0 272.261 -1.585 20 30 CAEDRM Cn1c(NCC2CN(C(=O)[O-])C2)c(C#N)c(=O)n(C)c1=O ZINC000833941781 582207281 /nfs/dbraw/zinc/20/72/81/582207281.db2.gz GPSMBZKAHREFMF-UHFFFAOYSA-N -1 0 293.283 -1.023 20 30 CAEDRM N#C[C@H](NC(=O)CNC(=O)CNC(=O)[O-])C1CC1 ZINC000833959697 582207664 /nfs/dbraw/zinc/20/76/64/582207664.db2.gz BZLSSUAGQYIXES-ZETCQYMHSA-N -1 0 254.246 -1.211 20 30 CAEDRM Cn1cnn(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1=O ZINC000833957076 582207703 /nfs/dbraw/zinc/20/77/03/582207703.db2.gz QLYIZZPKBVRCQI-QMMMGPOBSA-N -1 0 294.271 -1.704 20 30 CAEDRM N#C[C@@H]1CN(C(=O)CNC(=O)CNC(=O)[O-])CCO1 ZINC000833965407 582207803 /nfs/dbraw/zinc/20/78/03/582207803.db2.gz AJUJDXVFBNIYLN-SSDOTTSWSA-N -1 0 270.245 -1.879 20 30 CAEDRM N#CCNC(=O)COC(=O)CNC(=O)CNC(=O)[O-] ZINC000833966158 582207813 /nfs/dbraw/zinc/20/78/13/582207813.db2.gz AHHOFHNFSPKRLH-UHFFFAOYSA-N -1 0 272.217 -2.447 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833966064 582207824 /nfs/dbraw/zinc/20/78/24/582207824.db2.gz HBDPJZGFWTWYEK-ZETCQYMHSA-N -1 0 270.245 -1.879 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1(NC(N)=O)CC1 ZINC000833965506 582207839 /nfs/dbraw/zinc/20/78/39/582207839.db2.gz BPNOAKZKBZBIQK-ZETCQYMHSA-N -1 0 281.272 -1.098 20 30 CAEDRM N#CCN(C(=O)CNC(=O)CNC(=O)[O-])C1CC1 ZINC000833967987 582207864 /nfs/dbraw/zinc/20/78/64/582207864.db2.gz WCVYQZHZFLQYLG-UHFFFAOYSA-N -1 0 254.246 -1.115 20 30 CAEDRM N#CCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833967054 582207849 /nfs/dbraw/zinc/20/78/49/582207849.db2.gz OHCAHUFTRIZGFL-QMMMGPOBSA-N -1 0 283.288 -1.834 20 30 CAEDRM N#C[C@H]1CN(C(=O)CNC(=O)CNC(=O)[O-])CCO1 ZINC000833965408 582207850 /nfs/dbraw/zinc/20/78/50/582207850.db2.gz AJUJDXVFBNIYLN-ZETCQYMHSA-N -1 0 270.245 -1.879 20 30 CAEDRM N#C[C@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CCO1 ZINC000833965393 582207856 /nfs/dbraw/zinc/20/78/56/582207856.db2.gz AFJHWWHIGQBAAN-NKWVEPMBSA-N -1 0 270.245 -1.751 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000833968869 582207866 /nfs/dbraw/zinc/20/78/66/582207866.db2.gz YKLNLPXGRAFNJQ-RQJHMYQMSA-N -1 0 295.255 -1.701 20 30 CAEDRM O=C([O-])N1CCC(CN=NC2=NC(=O)C(=O)N2)CC1 ZINC000834288726 582210147 /nfs/dbraw/zinc/21/01/47/582210147.db2.gz IBGXGGVARCIKIO-UHFFFAOYSA-N -1 0 267.245 -1.036 20 30 CAEDRM C=C[C@](C)(O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324894 582210152 /nfs/dbraw/zinc/21/01/52/582210152.db2.gz MTMIBGFQVQLEHH-VIFPVBQESA-N -1 0 264.303 -1.495 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)CCO1 ZINC000842615559 582212899 /nfs/dbraw/zinc/21/28/99/582212899.db2.gz NMSOTXCCAPEGKU-QMMMGPOBSA-N -1 0 278.268 -1.344 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842747955 582213226 /nfs/dbraw/zinc/21/32/26/582213226.db2.gz NTWZJJUDRFAHDL-ZETCQYMHSA-N -1 0 282.343 -1.348 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842779823 582213235 /nfs/dbraw/zinc/21/32/35/582213235.db2.gz IHXXKIJIZPLVFM-QMMMGPOBSA-N -1 0 294.354 -1.510 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842779795 582213244 /nfs/dbraw/zinc/21/32/44/582213244.db2.gz IHXXKIJIZPLVFM-MRVPVSSYSA-N -1 0 294.354 -1.510 20 30 CAEDRM C#CCOCCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000843256943 582213638 /nfs/dbraw/zinc/21/36/38/582213638.db2.gz IXAAZAFSIMUGLE-UHFFFAOYSA-N -1 0 256.258 -1.267 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000844791127 582217105 /nfs/dbraw/zinc/21/71/05/582217105.db2.gz FWXBJMNHLXUKDH-DJLDLDEBSA-N -1 0 291.329 -1.158 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000844793202 582217167 /nfs/dbraw/zinc/21/71/67/582217167.db2.gz KPIPKGJACKTNBM-DJLDLDEBSA-N -1 0 291.329 -1.015 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000844793203 582217253 /nfs/dbraw/zinc/21/72/53/582217253.db2.gz KPIPKGJACKTNBM-IWSPIJDZSA-N -1 0 291.329 -1.015 20 30 CAEDRM C=CCNC(=O)CNC(=O)NCC(=O)[N-]OCC ZINC000845541561 582219075 /nfs/dbraw/zinc/21/90/75/582219075.db2.gz WZMBQVSFJDBXCJ-UHFFFAOYSA-N -1 0 258.278 -1.345 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)NCC(=O)[N-]OCC ZINC000845541998 582219136 /nfs/dbraw/zinc/21/91/36/582219136.db2.gz XYDNNBNKGFACTP-UHFFFAOYSA-N -1 0 293.345 -1.046 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O ZINC000849219518 582227628 /nfs/dbraw/zinc/22/76/28/582227628.db2.gz ZQEUUOAUCODOHW-UHFFFAOYSA-N -1 0 297.354 -1.229 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852916228 582232755 /nfs/dbraw/zinc/23/27/55/582232755.db2.gz ZYNYCMLTGRNHTP-NOZJJQNGSA-N -1 0 280.280 -1.362 20 30 CAEDRM C#CCO[N-]C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000855606551 582237662 /nfs/dbraw/zinc/23/76/62/582237662.db2.gz NCIFXZTUZHYLIT-VIFPVBQESA-N -1 0 281.243 -1.008 20 30 CAEDRM C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000855602992 582237770 /nfs/dbraw/zinc/23/77/70/582237770.db2.gz IMCDKEYGCNHJPP-SNVBAGLBSA-N -1 0 267.285 -1.206 20 30 CAEDRM C[C@@H]1C(=O)N(N=Cc2cn(CC(=O)[O-])nn2)C(=O)N1C ZINC000857215103 582238736 /nfs/dbraw/zinc/23/87/36/582238736.db2.gz ORPYWOWJJXAXCN-ZCFIWIBFSA-N -1 0 280.244 -1.021 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860631032 582243098 /nfs/dbraw/zinc/24/30/98/582243098.db2.gz MGYWFDYVTZSMFM-UHFFFAOYSA-N -1 0 275.286 -1.488 20 30 CAEDRM C=CCNC(=O)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000393825829 598195936 /nfs/dbraw/zinc/19/59/36/598195936.db2.gz OMAQVNLKRACEPU-MRVPVSSYSA-N -1 0 271.273 -1.216 20 30 CAEDRM C=CCNC(=O)CNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000393825830 598195964 /nfs/dbraw/zinc/19/59/64/598195964.db2.gz OMAQVNLKRACEPU-QMMMGPOBSA-N -1 0 271.273 -1.216 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)Cn1nc2ccccn2c1=O ZINC000739078381 600402435 /nfs/dbraw/zinc/40/24/35/600402435.db2.gz GAGMHPFWLJIXGQ-UHFFFAOYSA-N -1 0 289.251 -1.067 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CN1CSCC1=O ZINC000739078779 600403841 /nfs/dbraw/zinc/40/38/41/600403841.db2.gz MRXORBQLQUXVEB-UHFFFAOYSA-N -1 0 257.271 -1.044 20 30 CAEDRM Cn1c(=O)ccn(CC(=O)N(CC#N)CC(=O)[O-])c1=O ZINC000739003539 600406443 /nfs/dbraw/zinc/40/64/43/600406443.db2.gz KLZUQQGEDIDFOS-UHFFFAOYSA-N -1 0 280.240 -2.016 20 30 CAEDRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000093932556 601259450 /nfs/dbraw/zinc/25/94/50/601259450.db2.gz BBOCPKYFASTHDZ-MRVPVSSYSA-N -1 0 277.302 -1.138 20 30 CAEDRM CNC(=O)CNC(=S)NN=C1CN(C(=O)[O-])C1 ZINC000739738321 602456933 /nfs/dbraw/zinc/45/69/33/602456933.db2.gz DAHKWLGCKAAADR-UHFFFAOYSA-N -1 0 259.291 -1.454 20 30 CAEDRM C#CCNC(=O)CN(C)CCN1CCN(C(=O)[O-])CC1 ZINC000738462338 602868904 /nfs/dbraw/zinc/86/89/04/602868904.db2.gz ZAGDHJUYOHEWLJ-UHFFFAOYSA-N -1 0 282.344 -1.037 20 30 CAEDRM CN(CCN1CCN(C(=O)[O-])CC1)CC(=O)NCC#N ZINC000739684777 602873563 /nfs/dbraw/zinc/87/35/63/602873563.db2.gz OWOBEUUMWVVROA-UHFFFAOYSA-N -1 0 283.332 -1.146 20 30 CAEDRM N#C[C@@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCO1 ZINC000740308488 603027051 /nfs/dbraw/zinc/02/70/51/603027051.db2.gz ZCBOTGLLMCONFK-SECBINFHSA-N -1 0 296.283 -1.440 20 30 CAEDRM C=CCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738496514 603143875 /nfs/dbraw/zinc/14/38/75/603143875.db2.gz ZSCXPIJHZDSOPU-YUMQZZPRSA-N -1 0 272.257 -1.055 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738462794 603143876 /nfs/dbraw/zinc/14/38/76/603143876.db2.gz AXVIGSPJVWLMBQ-JGVFFNPUSA-N -1 0 270.241 -1.608 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740307958 603157056 /nfs/dbraw/zinc/15/70/56/603157056.db2.gz DLZNFYWOXWGYCJ-YUMQZZPRSA-N -1 0 285.256 -1.327 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740305552 603159944 /nfs/dbraw/zinc/15/99/44/603159944.db2.gz OLMKIFAOBIPWGM-BQBZGAKWSA-N -1 0 271.229 -1.717 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC[C@@H](NC(=O)[O-])C2)n(C)c1=O ZINC000740282632 604347077 /nfs/dbraw/zinc/34/70/77/604347077.db2.gz QPAAZHCNPJBOOE-SSDOTTSWSA-N -1 0 293.283 -1.198 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000738462864 604966706 /nfs/dbraw/zinc/96/67/06/604966706.db2.gz CUFBCQGVMFPMGI-JTQLQIEISA-N -1 0 296.327 -1.464 20 30 CAEDRM C#CCCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957474739 613009357 /nfs/dbraw/zinc/00/93/57/613009357.db2.gz XXRRUFYRDIFSLA-UHFFFAOYSA-N -1 0 279.300 -1.143 20 30 CAEDRM C#CCN1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949062954 613204699 /nfs/dbraw/zinc/20/46/99/613204699.db2.gz FNDIWCPWFYXEST-UHFFFAOYSA-N -1 0 291.311 -1.007 20 30 CAEDRM C#CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957464916 613206122 /nfs/dbraw/zinc/20/61/22/613206122.db2.gz UCEWJYRNJCWUBN-UHFFFAOYSA-N -1 0 265.273 -1.533 20 30 CAEDRM CC#CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957473790 613563797 /nfs/dbraw/zinc/56/37/97/613563797.db2.gz GXGIVXGTIRAUAU-UHFFFAOYSA-N -1 0 279.300 -1.143 20 30 CAEDRM CN(CC#N)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000980263420 616040302 /nfs/dbraw/zinc/04/03/02/616040302.db2.gz JTBMNHRZAGDTPW-MRVPVSSYSA-N -1 0 280.288 -1.254 20 30 CAEDRM CN(CC#N)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971866259 616040873 /nfs/dbraw/zinc/04/08/73/616040873.db2.gz BOQXMBFZHILBLU-SSDOTTSWSA-N -1 0 278.272 -1.047 20 30 CAEDRM N#CCN[C@@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC000969184280 655995703 /nfs/dbraw/zinc/99/57/03/655995703.db2.gz IAIAFEMPZSVKAK-MRVPVSSYSA-N -1 0 292.299 -1.071 20 30 CAEDRM N#CCN[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000969212235 655995985 /nfs/dbraw/zinc/99/59/85/655995985.db2.gz ZPHGVIBVCCJVMI-ZCFIWIBFSA-N -1 0 264.245 -1.390 20 30 CAEDRM N#CCN[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001020983875 656009482 /nfs/dbraw/zinc/00/94/82/656009482.db2.gz WZPHTYQQJZOEDC-LJGSYFOKSA-N -1 0 266.261 -1.550 20 30 CAEDRM N#CCN[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001022370160 656028247 /nfs/dbraw/zinc/02/82/47/656028247.db2.gz XMOLPSRLRKXYMF-OLQVQODUSA-N -1 0 264.245 -1.343 20 30 CAEDRM C#CCN1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001009327925 656081888 /nfs/dbraw/zinc/08/18/88/656081888.db2.gz JCPPRCTZYXRQBH-VIFPVBQESA-N -1 0 279.300 -1.097 20 30 CAEDRM C#CCN1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001009327921 656082072 /nfs/dbraw/zinc/08/20/72/656082072.db2.gz JCPPRCTZYXRQBH-SECBINFHSA-N -1 0 279.300 -1.097 20 30 CAEDRM C[C@H]1[C@H](NCC#N)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986487459 656137186 /nfs/dbraw/zinc/13/71/86/656137186.db2.gz KKCDSBIJVXIWPA-NKWVEPMBSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986487457 656137262 /nfs/dbraw/zinc/13/72/62/656137262.db2.gz KKCDSBIJVXIWPA-BQBZGAKWSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@@H]1[C@H](NCC#N)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987423109 656140208 /nfs/dbraw/zinc/14/02/08/656140208.db2.gz UVBXBBNNPWWBNO-HTQZYQBOSA-N -1 0 280.288 -1.208 20 30 CAEDRM C[C@H]1C[C@H](NCC#N)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989122383 656147658 /nfs/dbraw/zinc/14/76/58/656147658.db2.gz YFHCCVNXZFWFBJ-BQBZGAKWSA-N -1 0 278.272 -1.001 20 30 CAEDRM N#CCN1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000989563357 656150323 /nfs/dbraw/zinc/15/03/23/656150323.db2.gz WJTZWGHVSZLIQA-UHFFFAOYSA-N -1 0 280.288 -1.253 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NCC#N ZINC000939625154 656397369 /nfs/dbraw/zinc/39/73/69/656397369.db2.gz BDVVMYIOOXSBBR-JGVFFNPUSA-N -1 0 280.288 -1.351 20 30 CAEDRM C[C@H](C#N)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997259270 656503566 /nfs/dbraw/zinc/50/35/66/656503566.db2.gz ARRBIFDECGUEGG-ZCFIWIBFSA-N -1 0 294.271 -1.824 20 30 CAEDRM CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032754642 656602217 /nfs/dbraw/zinc/60/22/17/656602217.db2.gz KWKBZUARZKOEOF-UWVGGRQHSA-N -1 0 291.311 -1.002 20 30 CAEDRM N#CCN[C@@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001000791624 656611859 /nfs/dbraw/zinc/61/18/59/656611859.db2.gz XSCZSCGEVKGQDA-MRVPVSSYSA-N -1 0 280.288 -1.207 20 30 CAEDRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(CC#N)C1 ZINC001033230493 656699689 /nfs/dbraw/zinc/69/96/89/656699689.db2.gz PSQCDXSEVCRQSS-ZETCQYMHSA-N -1 0 278.272 -1.047 20 30 CAEDRM N#CCN1CCO[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035434880 656765370 /nfs/dbraw/zinc/76/53/70/656765370.db2.gz HTUUZYHHQCNQBB-SSDOTTSWSA-N -1 0 294.271 -1.763 20 30 CAEDRM N#CCN1CCO[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035434881 656766815 /nfs/dbraw/zinc/76/68/15/656766815.db2.gz HTUUZYHHQCNQBB-ZETCQYMHSA-N -1 0 294.271 -1.763 20 30 CAEDRM N#CCN1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949062964 656876471 /nfs/dbraw/zinc/87/64/71/656876471.db2.gz GCBGHADQVSOAJW-UHFFFAOYSA-N -1 0 292.299 -1.117 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N1CCOCC1 ZINC000092479742 656912901 /nfs/dbraw/zinc/91/29/01/656912901.db2.gz SZAXSMZVFYAEEU-UHFFFAOYSA-N -1 0 262.287 -1.417 20 30 CAEDRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1[O-] ZINC000957974631 656938042 /nfs/dbraw/zinc/93/80/42/656938042.db2.gz HDBOFHYCQANVKE-RKDXNWHRSA-N -1 0 279.300 -1.030 20 30 CAEDRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1[O-] ZINC000957974630 656939168 /nfs/dbraw/zinc/93/91/68/656939168.db2.gz HDBOFHYCQANVKE-IUCAKERBSA-N -1 0 279.300 -1.030 20 30 CAEDRM N#CCN1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC000958223643 656950919 /nfs/dbraw/zinc/95/09/19/656950919.db2.gz PEOHKWYYMWPEFG-RNFRBKRXSA-N -1 0 294.271 -2.171 20 30 CAEDRM N#CCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958223645 656951876 /nfs/dbraw/zinc/95/18/76/656951876.db2.gz PEOHKWYYMWPEFG-RQJHMYQMSA-N -1 0 294.271 -2.171 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110992 657161023 /nfs/dbraw/zinc/16/10/23/657161023.db2.gz ZWCUTNKWEYOTFL-ZETCQYMHSA-N -1 0 263.257 -1.280 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016109248 657199038 /nfs/dbraw/zinc/19/90/38/657199038.db2.gz BMGQDRCGWXZKRM-SSDOTTSWSA-N -1 0 266.261 -1.597 20 30 CAEDRM N#CCN[C@H]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001019082023 657255681 /nfs/dbraw/zinc/25/56/81/657255681.db2.gz IAIAFEMPZSVKAK-QMMMGPOBSA-N -1 0 292.299 -1.071 20 30 CAEDRM N#CCN[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001019709884 657278144 /nfs/dbraw/zinc/27/81/44/657278144.db2.gz WKQAXNTVDHOSLW-ZETCQYMHSA-N -1 0 266.261 -1.597 20 30 CAEDRM C=C[C@H](O)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001588452162 958418191 /nfs/dbraw/zinc/41/81/91/958418191.db2.gz KLUAOAMFDGIMSN-GZMMTYOYSA-N -1 0 259.258 -1.138 20 30 CAEDRM C#CCN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038466002 782247777 /nfs/dbraw/zinc/24/77/77/782247777.db2.gz PJUFDXNISNHRKC-ZETCQYMHSA-N -1 0 263.257 -1.280 20 30 CAEDRM C#CCN1CC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001038582648 782250750 /nfs/dbraw/zinc/25/07/50/782250750.db2.gz HBYJBEJBARRZEJ-SECBINFHSA-N -1 0 276.296 -1.077 20 30 CAEDRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CN(CC#N)C1 ZINC001043507203 782366699 /nfs/dbraw/zinc/36/66/99/782366699.db2.gz CUNISQBFHMPUCU-UHFFFAOYSA-N -1 0 277.284 -1.234 20 30 CAEDRM C#CCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044231364 782392285 /nfs/dbraw/zinc/39/22/85/782392285.db2.gz PFKHGRNGVSVOCX-UHFFFAOYSA-N -1 0 265.273 -1.535 20 30 CAEDRM C#CCCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236467 782393463 /nfs/dbraw/zinc/39/34/63/782393463.db2.gz NNWYCYBUWISQPW-UHFFFAOYSA-N -1 0 279.300 -1.145 20 30 CAEDRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047443640 782477773 /nfs/dbraw/zinc/47/77/73/782477773.db2.gz KNYBSYVSXNNEHZ-BQBZGAKWSA-N -1 0 294.271 -2.077 20 30 CAEDRM C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001047444047 782477913 /nfs/dbraw/zinc/47/79/13/782477913.db2.gz VDFMNUYFJPUFLX-YUMQZZPRSA-N -1 0 295.299 -1.414 20 30 CAEDRM C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001047443338 782478673 /nfs/dbraw/zinc/47/86/73/782478673.db2.gz DMECNZRPQCTNTC-YUMQZZPRSA-N -1 0 293.283 -1.967 20 30 CAEDRM N#CCN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001048919011 782522393 /nfs/dbraw/zinc/52/23/93/782522393.db2.gz KYFRNJIPTCVBAJ-OCAPTIKFSA-N -1 0 290.283 -1.190 20 30 CAEDRM CN(CCC#N)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000309375658 963343396 /nfs/dbraw/zinc/34/33/96/963343396.db2.gz REIHKONNCFDJOC-LURJTMIESA-N -1 0 251.264 -1.888 20 30 CAEDRM N#C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(N)=O ZINC001260403424 780649542 /nfs/dbraw/zinc/64/95/42/780649542.db2.gz GZUZRJBMMIUJKP-SSDOTTSWSA-N -1 0 299.264 -1.254 20 30 CAEDRM C#CCOC[C@@H](O)CN[C@@H](CCC(=O)[O-])C(=O)OC ZINC001251885114 780578501 /nfs/dbraw/zinc/57/85/01/780578501.db2.gz OASAHRROGBRAEG-UWVGGRQHSA-N -1 0 273.285 -1.007 20 30 CAEDRM C#CCOC[C@H](O)CN[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001251884617 780578527 /nfs/dbraw/zinc/57/85/27/780578527.db2.gz CKXNLXJBFOUORP-YIZRAAEISA-N -1 0 292.313 -2.011 20 30 CAEDRM C#CCOC[C@H](O)C[NH2+]CCOP(=O)([O-])[O-] ZINC001251887843 780578636 /nfs/dbraw/zinc/57/86/36/780578636.db2.gz KQCHDSUTMZKZIB-MRVPVSSYSA-N -1 0 253.191 -1.304 20 30 CAEDRM C#CCC[C@@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001256533006 780625072 /nfs/dbraw/zinc/62/50/72/780625072.db2.gz NWAOSQQPVCZMOR-SECBINFHSA-N -1 0 289.295 -1.038 20 30 CAEDRM C[C@H](C#N)N(C)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662176 781787992 /nfs/dbraw/zinc/78/79/92/781787992.db2.gz PBLRROOZDRBACX-ZCFIWIBFSA-N -1 0 277.221 -1.094 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCC#N ZINC001261543686 780671497 /nfs/dbraw/zinc/67/14/97/780671497.db2.gz UUANBNABKLFGQC-UHFFFAOYSA-N -1 0 256.262 -1.410 20 30 CAEDRM COC(=O)[C@H](CS)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260597072 780654429 /nfs/dbraw/zinc/65/44/29/780654429.db2.gz QVKJYPBMNVWFJO-YFKPBYRVSA-N -1 0 291.372 -1.621 20 30 CAEDRM CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260595923 780654446 /nfs/dbraw/zinc/65/44/46/780654446.db2.gz QKUUASIVLVGRQZ-ZCFIWIBFSA-N -1 0 284.315 -1.637 20 30 CAEDRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCC#N ZINC001054862966 782603353 /nfs/dbraw/zinc/60/33/53/782603353.db2.gz NVEMYHYVNVRFBJ-NKWVEPMBSA-N -1 0 278.272 -1.144 20 30 CAEDRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCC#N ZINC001054862967 782603610 /nfs/dbraw/zinc/60/36/10/782603610.db2.gz NVEMYHYVNVRFBJ-RNFRBKRXSA-N -1 0 278.272 -1.144 20 30 CAEDRM N#CCN1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051009971 782685165 /nfs/dbraw/zinc/68/51/65/782685165.db2.gz OFMIEGJZJJLAOR-SSDOTTSWSA-N -1 0 294.271 -1.763 20 30 CAEDRM C#CCN1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051010535 782685194 /nfs/dbraw/zinc/68/51/94/782685194.db2.gz VXIBPAPMQRTVDD-MRVPVSSYSA-N -1 0 293.283 -1.653 20 30 CAEDRM N#CCN1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1 ZINC001073150287 782790313 /nfs/dbraw/zinc/79/03/13/782790313.db2.gz RSPBEZZTNKQSMA-UHFFFAOYSA-N -1 0 292.299 -1.253 20 30 CAEDRM C#CCNC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001116006967 782884683 /nfs/dbraw/zinc/88/46/83/782884683.db2.gz GGLFGNMWCAXOOG-UHFFFAOYSA-N -1 0 289.251 -1.636 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)[N-]OCC(N)=O)C1=O ZINC001116487061 782899307 /nfs/dbraw/zinc/89/93/07/782899307.db2.gz NRCSEISGEZRUDA-UHFFFAOYSA-N -1 0 284.228 -2.504 20 30 CAEDRM CS(=O)(=O)CC(=O)[N-]S(=O)(=O)CCCC#N ZINC001116488330 782899350 /nfs/dbraw/zinc/89/93/50/782899350.db2.gz PMLRMXMSVWAGBR-UHFFFAOYSA-N -1 0 268.316 -1.219 20 30 CAEDRM C#CCNC(=O)c1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O ZINC001116531175 782901606 /nfs/dbraw/zinc/90/16/06/782901606.db2.gz DFFTVZMHOJTEID-VHSXEESVSA-N -1 0 297.336 -1.243 20 30 CAEDRM N#C[C@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCO1 ZINC000310213288 967941304 /nfs/dbraw/zinc/94/13/04/967941304.db2.gz VHILZVFQJMUICQ-QMMMGPOBSA-N -1 0 262.287 -1.290 20 30 CAEDRM N#CCN[C@H]1C[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001266626352 775155343 /nfs/dbraw/zinc/15/53/43/775155343.db2.gz GVUFZPJFGHJXDO-MGCOHNPYSA-N -1 0 291.311 -1.313 20 30 CAEDRM CN(CCNCC#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001266901596 775182548 /nfs/dbraw/zinc/18/25/48/775182548.db2.gz LCMUWLBGNSMWAC-UHFFFAOYSA-N -1 0 289.299 -1.357 20 30 CAEDRM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)[C@@H](C)O ZINC000707760901 775193732 /nfs/dbraw/zinc/19/37/32/775193732.db2.gz DSDGFXFPNBATCJ-RRKCRQDMSA-N -1 0 250.276 -1.260 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001161393023 775201943 /nfs/dbraw/zinc/20/19/43/775201943.db2.gz LPZAARWLQCPQND-JTQLQIEISA-N -1 0 288.263 -1.319 20 30 CAEDRM CCN(CC#N)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001267254879 775221272 /nfs/dbraw/zinc/22/12/72/775221272.db2.gz JCQLXWNWZCVMQQ-UHFFFAOYSA-N -1 0 268.277 -1.349 20 30 CAEDRM C[C@H](C#N)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267642688 775276836 /nfs/dbraw/zinc/27/68/36/775276836.db2.gz JWNOQVYFYYOLFV-ZCFIWIBFSA-N -1 0 250.262 -1.030 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O ZINC001167847967 775380900 /nfs/dbraw/zinc/38/09/00/775380900.db2.gz LJVAZPQLLPIOBY-ZKCHVHJHSA-N -1 0 264.241 -1.540 20 30 CAEDRM CC(C)[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCC#N ZINC001268226365 775387274 /nfs/dbraw/zinc/38/72/74/775387274.db2.gz ILPIDZGUQWLLBS-MRVPVSSYSA-N -1 0 282.304 -1.057 20 30 CAEDRM C#CC(=O)N1Cc2[nH]nc(C(=O)N=c3nn[n-]n3C)c2C1 ZINC001268850772 775476574 /nfs/dbraw/zinc/47/65/74/775476574.db2.gz AEFCFILHNKECOX-UHFFFAOYSA-N -1 0 286.255 -1.917 20 30 CAEDRM C#CC(=O)N1CCc2cc(C(=O)N=c3nn[n-]n3C)[nH]c2C1 ZINC001268850858 775477191 /nfs/dbraw/zinc/47/71/91/775477191.db2.gz CVMMWMGDUXTUOY-UHFFFAOYSA-N -1 0 299.294 -1.270 20 30 CAEDRM N#CCNC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001269526492 775511819 /nfs/dbraw/zinc/51/18/19/775511819.db2.gz MKOVEEVUTQACDV-UHFFFAOYSA-N -1 0 266.261 -1.549 20 30 CAEDRM C=CCN1C(=O)COCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001269576636 775513377 /nfs/dbraw/zinc/51/33/77/775513377.db2.gz QZNQIWKVGVKDAS-UHFFFAOYSA-N -1 0 292.299 -1.632 20 30 CAEDRM C#CCN1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001269812748 775518217 /nfs/dbraw/zinc/51/82/17/775518217.db2.gz RSBWBMZYJXZETB-UHFFFAOYSA-N -1 0 291.311 -1.009 20 30 CAEDRM CC[C@H](C#CC(=O)OC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225831468 775522240 /nfs/dbraw/zinc/52/22/40/775522240.db2.gz VAYBNQOHUCGGOH-ZCFIWIBFSA-N -1 0 266.205 -1.318 20 30 CAEDRM N#CCN1CCO[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001270691281 775543148 /nfs/dbraw/zinc/54/31/48/775543148.db2.gz IQPYXETVDJWWSJ-MRVPVSSYSA-N -1 0 296.287 -1.970 20 30 CAEDRM N#CCN1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001076499603 775729118 /nfs/dbraw/zinc/72/91/18/775729118.db2.gz MGMLQDCMJNYYMH-DTWKUNHWSA-N -1 0 292.299 -1.254 20 30 CAEDRM C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001076500186 775729941 /nfs/dbraw/zinc/72/99/41/775729941.db2.gz YOKRXZVUZDESEN-VHSXEESVSA-N -1 0 291.311 -1.145 20 30 CAEDRM CC#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001077311207 775815898 /nfs/dbraw/zinc/81/58/98/775815898.db2.gz XIZAKPBOQFCAAG-HTQZYQBOSA-N -1 0 293.283 -1.919 20 30 CAEDRM CC#CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001083608477 775832572 /nfs/dbraw/zinc/83/25/72/775832572.db2.gz XIZAKPBOQFCAAG-SFYZADRCSA-N -1 0 293.283 -1.919 20 30 CAEDRM C#CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001083606763 775833032 /nfs/dbraw/zinc/83/30/32/775833032.db2.gz ORQKBZOVKYISHH-RQJHMYQMSA-N -1 0 279.256 -2.309 20 30 CAEDRM CO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 ZINC001105729124 775855276 /nfs/dbraw/zinc/85/52/76/775855276.db2.gz HYWGVSQCNSQCGX-IUCAKERBSA-N -1 0 279.300 -1.306 20 30 CAEDRM N#C[C@@H]1CC[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234374124 775946951 /nfs/dbraw/zinc/94/69/51/775946951.db2.gz UKJFVYCUULJICU-PHDIDXHHSA-N -1 0 263.205 -1.220 20 30 CAEDRM N#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001078084472 776116498 /nfs/dbraw/zinc/11/64/98/776116498.db2.gz SVHKRVDMTBZZBU-RNFRBKRXSA-N -1 0 282.260 -2.626 20 30 CAEDRM COc1ccnc(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)n1 ZINC001117735116 776193522 /nfs/dbraw/zinc/19/35/22/776193522.db2.gz BZKRSRWQZNNOLS-UHFFFAOYSA-N -1 0 264.201 -1.381 20 30 CAEDRM Cn1cc(S(=O)(=O)[N-]N=C2COC2)c(=O)n(C)c1=O ZINC001117742421 776195327 /nfs/dbraw/zinc/19/53/27/776195327.db2.gz QLUYKDDIIODNGV-UHFFFAOYSA-N -1 0 288.285 -2.252 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC001118437413 776317941 /nfs/dbraw/zinc/31/79/41/776317941.db2.gz GLCUHMNFMTZNBV-NKWVEPMBSA-N -1 0 265.291 -1.500 20 30 CAEDRM C=CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001081899364 776399402 /nfs/dbraw/zinc/39/94/02/776399402.db2.gz OEQCJCKMRJYHCG-HTQZYQBOSA-N -1 0 295.299 -1.102 20 30 CAEDRM C=CCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001083999612 776440638 /nfs/dbraw/zinc/44/06/38/776440638.db2.gz YSNKCLCTAUEJSY-SFYZADRCSA-N -1 0 283.288 -1.963 20 30 CAEDRM N#CCN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001084487206 776454078 /nfs/dbraw/zinc/45/40/78/776454078.db2.gz CMVLOVJKSULIME-HTQZYQBOSA-N -1 0 290.283 -1.047 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001090399500 776456746 /nfs/dbraw/zinc/45/67/46/776456746.db2.gz OFOJEBMHPACLIV-YUMQZZPRSA-N -1 0 293.283 -1.919 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001090400477 776467080 /nfs/dbraw/zinc/46/70/80/776467080.db2.gz VPPHMIITMPGDJB-BQBZGAKWSA-N -1 0 294.271 -2.029 20 30 CAEDRM C=CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001090400348 776467246 /nfs/dbraw/zinc/46/72/46/776467246.db2.gz UVPSXTILXXTTOI-YUMQZZPRSA-N -1 0 295.299 -1.366 20 30 CAEDRM N#CCN[C@H]1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001086138458 776500770 /nfs/dbraw/zinc/50/07/70/776500770.db2.gz KEKFTPPYTJHZPV-KNVOCYPGSA-N -1 0 278.272 -1.096 20 30 CAEDRM N#CCN[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001086418287 776509380 /nfs/dbraw/zinc/50/93/80/776509380.db2.gz KEKFTPPYTJHZPV-LJGSYFOKSA-N -1 0 278.272 -1.096 20 30 CAEDRM C#CCN(CC#N)Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001169655441 776534981 /nfs/dbraw/zinc/53/49/81/776534981.db2.gz FMOSCNGLYKTHLO-UHFFFAOYSA-N -1 0 257.257 -1.041 20 30 CAEDRM N#CCNCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001130752023 776672385 /nfs/dbraw/zinc/67/23/85/776672385.db2.gz OUZOWYFXXXAYPV-UHFFFAOYSA-N -1 0 266.261 -1.555 20 30 CAEDRM CC(C)C#CC(=O)NCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001292709311 778045401 /nfs/dbraw/zinc/04/54/01/778045401.db2.gz LLBGGOBOIRQOGV-UHFFFAOYSA-N -1 0 293.283 -1.212 20 30 CAEDRM N#Cc1cn(CC(=O)NC2(C#N)CC2)c(=O)[n-]c1=O ZINC001293440527 778058966 /nfs/dbraw/zinc/05/89/66/778058966.db2.gz DSQCGCUIRXAWHH-UHFFFAOYSA-N -1 0 259.225 -1.007 20 30 CAEDRM C#CCNC(=O)CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1 ZINC001297089249 778104696 /nfs/dbraw/zinc/10/46/96/778104696.db2.gz BAGMWKIAJVKXAQ-UHFFFAOYSA-N -1 0 290.283 -2.115 20 30 CAEDRM CON(C)CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001299989631 778130428 /nfs/dbraw/zinc/13/04/28/778130428.db2.gz XACYXLFDJWJNDH-UHFFFAOYSA-N -1 0 295.299 -1.180 20 30 CAEDRM N#Cc1cn(CC(=O)Nn2cccn2)c(=O)[n-]c1=O ZINC001300795164 778132819 /nfs/dbraw/zinc/13/28/19/778132819.db2.gz SYDDBRHTRNZPMO-UHFFFAOYSA-N -1 0 260.213 -1.213 20 30 CAEDRM CCOC(=O)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001301211902 778133895 /nfs/dbraw/zinc/13/38/95/778133895.db2.gz QEUXTAMCIZWCBU-UHFFFAOYSA-N -1 0 294.267 -1.110 20 30 CAEDRM C#CCO[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001301213763 778133958 /nfs/dbraw/zinc/13/39/58/778133958.db2.gz SXVQOMFSCMORAG-VIFPVBQESA-N -1 0 290.279 -1.025 20 30 CAEDRM Cn1c(C=NNCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC001117704047 779542013 /nfs/dbraw/zinc/54/20/13/779542013.db2.gz ALQRLWXVUIWRAS-UHFFFAOYSA-N -1 0 280.244 -1.619 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)N2CCNC2=O)c1=O ZINC001118172304 779550157 /nfs/dbraw/zinc/55/01/57/779550157.db2.gz MJPDJKCWLCVWSY-UHFFFAOYSA-N -1 0 263.213 -2.040 20 30 CAEDRM C#CCCCNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001118288025 779560303 /nfs/dbraw/zinc/56/03/03/779560303.db2.gz OUZDYHBPDUJSTM-UHFFFAOYSA-N -1 0 255.274 -1.300 20 30 CAEDRM C=CC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001118312534 779563749 /nfs/dbraw/zinc/56/37/49/779563749.db2.gz DDBREWKLMLEYIH-BQBZGAKWSA-N -1 0 262.287 -1.176 20 30 CAEDRM O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001118379030 779567497 /nfs/dbraw/zinc/56/74/97/779567497.db2.gz NZTUARYPYMFMOX-NKWVEPMBSA-N -1 0 277.302 -1.826 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001119339000 779612133 /nfs/dbraw/zinc/61/21/33/779612133.db2.gz ZGYGLFFDLSIZRD-KXUCPTDWSA-N -1 0 280.280 -1.174 20 30 CAEDRM O=C(NCC#CCO)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001139145579 779733897 /nfs/dbraw/zinc/73/38/97/779733897.db2.gz JTNHXZWUESCBIK-UHFFFAOYSA-N -1 0 288.263 -1.008 20 30 CAEDRM COC(OC)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001140117670 779736812 /nfs/dbraw/zinc/73/68/12/779736812.db2.gz VPTGHESIFVFGEE-SSDOTTSWSA-N -1 0 296.283 -1.056 20 30 CAEDRM COCCN(CC#N)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001141804846 779745159 /nfs/dbraw/zinc/74/51/59/779745159.db2.gz VXHPXFOBRCGRRG-UHFFFAOYSA-N -1 0 291.267 -1.181 20 30 CAEDRM C[C@H]1[C@H](NC(=O)C2(C#N)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001143183165 779769131 /nfs/dbraw/zinc/76/91/31/779769131.db2.gz OQKIDTUQVKNYLE-WDSKDSINSA-N -1 0 273.270 -1.192 20 30 CAEDRM C=CCO[N-]C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001158208780 779931468 /nfs/dbraw/zinc/93/14/68/779931468.db2.gz SDOGDUJRRQKXMH-ZETCQYMHSA-N -1 0 254.250 -1.588 20 30 CAEDRM C#CC1(O)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC001158408539 779933592 /nfs/dbraw/zinc/93/35/92/779933592.db2.gz YQODAZCRWHOBQR-UHFFFAOYSA-N -1 0 284.279 -1.105 20 30 CAEDRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCN(O)C1=O ZINC001159323979 779945432 /nfs/dbraw/zinc/94/54/32/779945432.db2.gz FFGQPDKLPUPDRP-ZETCQYMHSA-N -1 0 292.255 -1.823 20 30 CAEDRM N#CCNCCCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001161873254 780027101 /nfs/dbraw/zinc/02/71/01/780027101.db2.gz XOEBUWHZNUPAGQ-UHFFFAOYSA-N -1 0 252.234 -1.484 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(O)CC2)c(C#N)c1=O ZINC001161947908 780028751 /nfs/dbraw/zinc/02/87/51/780028751.db2.gz QPSUFJTVCIUYOG-UHFFFAOYSA-N -1 0 250.258 -1.094 20 30 CAEDRM COCCNC(=O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001161965014 780029354 /nfs/dbraw/zinc/02/93/54/780029354.db2.gz QUIYDUSBLGGWMA-UHFFFAOYSA-N -1 0 281.272 -1.880 20 30 CAEDRM CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCNC1=O ZINC001162844080 780052873 /nfs/dbraw/zinc/05/28/73/780052873.db2.gz OLJFQGMPOPHYQI-SSDOTTSWSA-N -1 0 263.257 -1.730 20 30 CAEDRM CN(C[C@H](O)CO)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001162854767 780053024 /nfs/dbraw/zinc/05/30/24/780053024.db2.gz BZDQVMMGSJHPKK-LURJTMIESA-N -1 0 254.246 -2.265 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(F)(F)CO)c(C#N)c1=O ZINC001163014369 780053963 /nfs/dbraw/zinc/05/39/63/780053963.db2.gz YGZCEZZYQFMBBK-UHFFFAOYSA-N -1 0 260.200 -1.015 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H](O)C[C@H]2CO)c(C#N)c1=O ZINC001163076521 780054133 /nfs/dbraw/zinc/05/41/33/780054133.db2.gz SWEKPCWKDYRGMW-BQBZGAKWSA-N -1 0 266.257 -2.123 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H](O)C3(CC3)C2)c(C#N)c1=O ZINC001163120045 780055400 /nfs/dbraw/zinc/05/54/00/780055400.db2.gz MXTOUQFBIJKSPS-MRVPVSSYSA-N -1 0 262.269 -1.094 20 30 CAEDRM CCNC(=O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001163681014 780061211 /nfs/dbraw/zinc/06/12/11/780061211.db2.gz BQDPLUCMDWGAED-UHFFFAOYSA-N -1 0 251.246 -1.507 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CCO[C@H](C#N)C1 ZINC001205246403 780105309 /nfs/dbraw/zinc/10/53/09/780105309.db2.gz YRQXZVJNOCKGSP-SSDOTTSWSA-N -1 0 251.250 -1.129 20 30 CAEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)[N-]OC ZINC001213912639 780148079 /nfs/dbraw/zinc/14/80/79/780148079.db2.gz INROXUPUTCCBOU-QMMMGPOBSA-N -1 0 278.334 -1.020 20 30 CAEDRM CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)[N-]OC ZINC001213912638 780148227 /nfs/dbraw/zinc/14/82/27/780148227.db2.gz INROXUPUTCCBOU-MRVPVSSYSA-N -1 0 278.334 -1.020 20 30 CAEDRM CC(=O)OC[C@H](N)C(=O)N(O)C(=N)c1nonc1N ZINC001218516327 780166780 /nfs/dbraw/zinc/16/67/80/780166780.db2.gz FAPRQYRNSQBCPZ-BYPYZUCNSA-N -1 0 272.221 -1.915 20 30 CAEDRM N#CN=C(NC(O)=C(N)Cc1nnn[n-]1)c1ccncc1 ZINC001219972167 780286528 /nfs/dbraw/zinc/28/65/28/780286528.db2.gz LINVZIFHEYLGPW-QMMMGPOBSA-N -1 0 285.271 -1.491 20 30 CAEDRM C#C[C@](C)(N)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001220099654 780302581 /nfs/dbraw/zinc/30/25/81/780302581.db2.gz WNPKSZOJGYZBKB-WATHFIQWSA-N -1 0 275.286 -2.145 20 30 CAEDRM Cc1ccc(C(=NC(=O)[C@@H](N)Cc2nnn[n-]2)NO)nc1 ZINC001220337084 780339982 /nfs/dbraw/zinc/33/99/82/780339982.db2.gz KVQPALROQAJVOP-ZETCQYMHSA-N -1 0 290.287 -1.275 20 30 CAEDRM C#C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)C(=O)OCC ZINC001225829863 780439538 /nfs/dbraw/zinc/43/95/38/780439538.db2.gz BWNXQAOJQADISB-YFKPBYRVSA-N -1 0 252.178 -1.708 20 30 CAEDRM N#CCN1CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225830304 780439554 /nfs/dbraw/zinc/43/95/54/780439554.db2.gz HMWYNMKFRHOZHO-ZCFIWIBFSA-N -1 0 250.210 -1.675 20 30 CAEDRM CN1[C@@H]2C[C@@H](Oc3c([O-])c(=O)c3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226604307 780443331 /nfs/dbraw/zinc/44/33/31/780443331.db2.gz CRDTUGUCHZRWNX-RMCNPPMOSA-N -1 0 251.238 -1.021 20 30 CAEDRM C#C[C@@H](CCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234377711 780483906 /nfs/dbraw/zinc/48/39/06/780483906.db2.gz DPMJJZXKKKJZEK-LURJTMIESA-N -1 0 250.206 -1.111 20 30 CAEDRM CC#C[C@H](CC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234378681 780484026 /nfs/dbraw/zinc/48/40/26/780484026.db2.gz OMZVAXIXCUYZHI-LURJTMIESA-N -1 0 250.206 -1.111 20 30 CAEDRM C#CC[C@@H](CC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234378404 780484147 /nfs/dbraw/zinc/48/41/47/780484147.db2.gz LTAUHQAEXTVWAS-ZCFIWIBFSA-N -1 0 250.206 -1.111 20 30 CAEDRM O=C1C=C[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234377482 780484165 /nfs/dbraw/zinc/48/41/65/780484165.db2.gz CSOVDWOSIYGVTE-RXMQYKEDSA-N -1 0 250.162 -2.015 20 30 CAEDRM C#CC[C@H](CC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234378403 780484182 /nfs/dbraw/zinc/48/41/82/780484182.db2.gz LTAUHQAEXTVWAS-LURJTMIESA-N -1 0 250.206 -1.111 20 30 CAEDRM CC1=C(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C(=O)[C@@H](C)O1 ZINC001234377227 780484212 /nfs/dbraw/zinc/48/42/12/780484212.db2.gz YHIFBKIHDPABJU-GSVOUGTGSA-N -1 0 280.188 -1.693 20 30 CAEDRM C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@H](C)S ZINC001234377806 780484393 /nfs/dbraw/zinc/48/43/93/780484393.db2.gz GHNZLLGYFNSORB-DMTCNVIQSA-N -1 0 258.251 -1.206 20 30 CAEDRM CC[C@H](C#CC(=O)OC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234379690 780484397 /nfs/dbraw/zinc/48/43/97/780484397.db2.gz ZGFQSUKCHJPHFO-ZCFIWIBFSA-N -1 0 294.215 -1.958 20 30 CAEDRM C#C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(=O)OCC ZINC001234378630 780484533 /nfs/dbraw/zinc/48/45/33/780484533.db2.gz NPZDSHVSQYWNIS-RXMQYKEDSA-N -1 0 280.188 -2.348 20 30 CAEDRM C#CCO[C@H](C)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278077660 780504556 /nfs/dbraw/zinc/50/45/56/780504556.db2.gz MSGAJSGRNUYOMJ-RKDXNWHRSA-N -1 0 297.315 -1.885 20 30 CAEDRM C#CCO[C@@H](C)C(=O)NC[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278077658 780505210 /nfs/dbraw/zinc/50/52/10/780505210.db2.gz MSGAJSGRNUYOMJ-DTWKUNHWSA-N -1 0 297.315 -1.885 20 30 CAEDRM C#CCO[C@H](C)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278077657 780505360 /nfs/dbraw/zinc/50/53/60/780505360.db2.gz MSGAJSGRNUYOMJ-BDAKNGLRSA-N -1 0 297.315 -1.885 20 30 CAEDRM N#CCN[C@@H](CO)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001278164408 780511968 /nfs/dbraw/zinc/51/19/68/780511968.db2.gz DXCLRKUPXNDYJM-MRVPVSSYSA-N -1 0 290.283 -1.774 20 30 CAEDRM C#CCOCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001260262788 780648410 /nfs/dbraw/zinc/64/84/10/780648410.db2.gz AYRNPWQMZFJSTC-SNVBAGLBSA-N -1 0 270.285 -1.163 20 30 CAEDRM C#CCOCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1 ZINC001260262787 780648730 /nfs/dbraw/zinc/64/87/30/780648730.db2.gz AYRNPWQMZFJSTC-JTQLQIEISA-N -1 0 270.285 -1.163 20 30 CAEDRM COCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1 ZINC001263294346 780726175 /nfs/dbraw/zinc/72/61/75/780726175.db2.gz TXOPCZGUWPIZEL-SSDOTTSWSA-N -1 0 251.246 -1.100 20 30 CAEDRM COCCNC(=O)C(C#N)=C([O-])c1cnnn1C ZINC001263293700 780726651 /nfs/dbraw/zinc/72/66/51/780726651.db2.gz WWOHSBOMNWQLJL-SSDOTTSWSA-N -1 0 251.246 -1.100 20 30 CAEDRM COCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1 ZINC001263294347 780726875 /nfs/dbraw/zinc/72/68/75/780726875.db2.gz TXOPCZGUWPIZEL-ZETCQYMHSA-N -1 0 251.246 -1.100 20 30 CAEDRM CON(C)C1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001304147787 780810219 /nfs/dbraw/zinc/81/02/19/780810219.db2.gz UKYXHFDPIOETGO-UHFFFAOYSA-N -1 0 293.283 -1.475 20 30 CAEDRM C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(CC#N)C1 ZINC001282737568 780822765 /nfs/dbraw/zinc/82/27/65/780822765.db2.gz MIHOCTMDVGHSNG-ZETCQYMHSA-N -1 0 280.288 -1.351 20 30 CAEDRM N#CCNCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001135465307 781369043 /nfs/dbraw/zinc/36/90/43/781369043.db2.gz DAUHRZUUDXFVLL-UHFFFAOYSA-N -1 0 275.272 -1.699 20 30 CAEDRM C[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001136173302 781395018 /nfs/dbraw/zinc/39/50/18/781395018.db2.gz FADSGNOXXULJCW-ZETCQYMHSA-N -1 0 266.257 -1.292 20 30 CAEDRM COCCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001136443195 781405265 /nfs/dbraw/zinc/40/52/65/781405265.db2.gz UHBAMMLJGCZYCF-UHFFFAOYSA-N -1 0 266.257 -1.075 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](O)C1 ZINC001090759320 781428966 /nfs/dbraw/zinc/42/89/66/781428966.db2.gz HXQVHGSFPXGBNV-RKDXNWHRSA-N -1 0 295.299 -2.126 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001090759317 781429202 /nfs/dbraw/zinc/42/92/02/781429202.db2.gz HXQVHGSFPXGBNV-BDAKNGLRSA-N -1 0 295.299 -2.126 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](O)C1 ZINC001090759161 781429286 /nfs/dbraw/zinc/42/92/86/781429286.db2.gz DZNZUUQUBNBNJP-HTQZYQBOSA-N -1 0 296.287 -2.236 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001090759164 781429771 /nfs/dbraw/zinc/42/97/71/781429771.db2.gz DZNZUUQUBNBNJP-YUMQZZPRSA-N -1 0 296.287 -2.236 20 30 CAEDRM C#CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001143915531 781441199 /nfs/dbraw/zinc/44/11/99/781441199.db2.gz FLFBPNIIFQOFOT-VIFPVBQESA-N -1 0 278.268 -1.339 20 30 CAEDRM COC(=O)/C=C/C(=O)N(O)C(=N)c1nonc1N ZINC001144095207 781443220 /nfs/dbraw/zinc/44/32/20/781443220.db2.gz QLUGXFBPIJDCKW-FAYCRXAESA-N -1 0 255.190 -1.076 20 30 CAEDRM C=C(C)CO[N-]C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001144640448 781462690 /nfs/dbraw/zinc/46/26/90/781462690.db2.gz XGTQVZBHYWDDNR-ZETCQYMHSA-N -1 0 262.287 -1.477 20 30 CAEDRM Nc1nonc1C(=Nc1cnn(CC(=O)[O-])c1)NO ZINC001176264807 781599017 /nfs/dbraw/zinc/59/90/17/781599017.db2.gz XOBNYOQNGAFJMS-UHFFFAOYSA-N -1 0 267.205 -1.010 20 30 CAEDRM C=C(C)C(=O)NCCCNC(=O)Cc1nnn[n-]1 ZINC001176845580 781610118 /nfs/dbraw/zinc/61/01/18/781610118.db2.gz PVUZBWFSMHRIGO-UHFFFAOYSA-N -1 0 252.278 -1.059 20 30 CAEDRM N#C[C@H]1CNCCN1C(=O)Cn1nn[n-]c1=S ZINC001177736623 781624632 /nfs/dbraw/zinc/62/46/32/781624632.db2.gz WRGOEQWGVCMTPI-LURJTMIESA-N -1 0 253.291 -1.714 20 30 CAEDRM CCOC(=O)[C@@H](C#N)NC(=O)Cn1nn[n-]c1=S ZINC001177742562 781626294 /nfs/dbraw/zinc/62/62/94/781626294.db2.gz GDGAEWLKJVXFAZ-RXMQYKEDSA-N -1 0 270.274 -1.467 20 30 CAEDRM C=CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000150039530 781646603 /nfs/dbraw/zinc/64/66/03/781646603.db2.gz IAARQOIOTVTDFS-SSDOTTSWSA-N -1 0 267.241 -1.318 20 30 CAEDRM C[C@@H](C#N)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001179901307 781652252 /nfs/dbraw/zinc/65/22/52/781652252.db2.gz WFHVRLNRXOBPNK-ZLUOBGJFSA-N -1 0 261.259 -1.336 20 30 CAEDRM CC(=O)N[C@H](C(=O)N(O)C(=N)c1nonc1N)[C@@H](C)O ZINC001183696169 781748236 /nfs/dbraw/zinc/74/82/36/781748236.db2.gz KWHZEBJWZRITOY-WUJLRWPWSA-N -1 0 286.248 -1.920 20 30 CAEDRM O=C(CCC(=O)C1=CC=C[CH]1)NC(CO)(CO)CO ZINC001184244323 781765607 /nfs/dbraw/zinc/76/56/07/781765607.db2.gz PLYKBCJDFGVKGB-UHFFFAOYSA-N -1 0 268.289 -1.132 20 30 CAEDRM N[C@@H]1NCN(C(=O)CCC(=O)C2=CC=C[CH]2)[C@H]2NCN[C@@H]21 ZINC001184247176 781765915 /nfs/dbraw/zinc/76/59/15/781765915.db2.gz IILHKWANKVVEDM-MGPQQGTHSA-N -1 0 290.347 -1.445 20 30 CAEDRM C#C[C@H](C)NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664652 781788453 /nfs/dbraw/zinc/78/84/53/781788453.db2.gz XTZCPLGAVCAQKN-LURJTMIESA-N -1 0 262.206 -1.327 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2CCC(=O)NC2=O)c(C#N)c1=O ZINC001185888292 781789874 /nfs/dbraw/zinc/78/98/74/781789874.db2.gz GDCCEWAIGVAOAU-LURJTMIESA-N -1 0 277.240 -1.838 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2CCC(=O)NC2=O)c(C#N)c1=O ZINC001185888293 781790295 /nfs/dbraw/zinc/79/02/95/781790295.db2.gz GDCCEWAIGVAOAU-ZCFIWIBFSA-N -1 0 277.240 -1.838 20 30 CAEDRM CN(CCC(N)=O)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001186381109 781805696 /nfs/dbraw/zinc/80/56/96/781805696.db2.gz QXVUZSPJVSGWRZ-UHFFFAOYSA-N -1 0 251.246 -1.743 20 30 CAEDRM CON(C)C1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001187733358 781829242 /nfs/dbraw/zinc/82/92/42/781829242.db2.gz ZLIYHYKKXOFOTD-UHFFFAOYSA-N -1 0 265.273 -1.373 20 30 CAEDRM CCOC(=O)C(C#N)[N-]S(=O)(=O)CCC(=O)OC ZINC001188409228 781841185 /nfs/dbraw/zinc/84/11/85/781841185.db2.gz HRAHPBPCSYPUQT-ZETCQYMHSA-N -1 0 278.286 -1.076 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592221982 977403767 /nfs/dbraw/zinc/40/37/67/977403767.db2.gz QOGCLYMZAGBFRZ-ZETCQYMHSA-N -1 0 277.302 -1.404 20 30 CAEDRM CS(C)(=O)=NS(=O)(=O)[N-]CC(=O)NCC#N ZINC001475275254 892440853 /nfs/dbraw/zinc/44/08/53/892440853.db2.gz JTFLEKGGNHZVPE-UHFFFAOYSA-N -1 0 268.320 -1.812 20 30 CAEDRM CNC(=O)CNC(=S)NN=Cc1c(C(=O)[O-])cnn1C ZINC001326830055 884839417 /nfs/dbraw/zinc/83/94/17/884839417.db2.gz YFGVZPNPLDTVGM-UHFFFAOYSA-N -1 0 298.328 -1.338 20 30 CAEDRM C#C[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001328723484 885017549 /nfs/dbraw/zinc/01/75/49/885017549.db2.gz GCPRFXFCOXKGPG-SSDOTTSWSA-N -1 0 261.241 -1.819 20 30 CAEDRM C#CCO[N-]C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001334471237 885545525 /nfs/dbraw/zinc/54/55/25/885545525.db2.gz NHXGAPICZDDWHI-UHFFFAOYSA-N -1 0 258.259 -1.789 20 30 CAEDRM COC(=O)c1cn[n-]c1S(=O)(=O)O[C@H]1CNOC1 ZINC001336726450 885682631 /nfs/dbraw/zinc/68/26/31/885682631.db2.gz UNRSNVKJVKXKER-YFKPBYRVSA-N -1 0 277.258 -1.195 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC001338372396 885743977 /nfs/dbraw/zinc/74/39/77/885743977.db2.gz XZIJAICPPKKYKY-ZETCQYMHSA-N -1 0 265.291 -1.498 20 30 CAEDRM C=CCOC[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)OC ZINC001344437831 885939716 /nfs/dbraw/zinc/93/97/16/885939716.db2.gz ANVTZDGRWDPDSN-LURJTMIESA-N -1 0 270.245 -1.016 20 30 CAEDRM C#CCC[C@@H](O)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001344550349 885944845 /nfs/dbraw/zinc/94/48/45/885944845.db2.gz ZIXBGMGKLJZZOZ-ZCFIWIBFSA-N -1 0 252.230 -1.213 20 30 CAEDRM C[S@](=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362129052 886541144 /nfs/dbraw/zinc/54/11/44/886541144.db2.gz VSNCHRQBNOPUFL-IBGZPJMESA-N -1 0 284.297 -1.685 20 30 CAEDRM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193178084 884072644 /nfs/dbraw/zinc/07/26/44/884072644.db2.gz AUOMUXNPTKYUMD-NTSWFWBYSA-N -1 0 263.275 -1.765 20 30 CAEDRM CCNC(=O)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001306937332 884120582 /nfs/dbraw/zinc/12/05/82/884120582.db2.gz ZLUISFLNISTDCC-UHFFFAOYSA-N -1 0 265.273 -1.482 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(O)(CC#N)C2)c(C#N)c1=O ZINC001307101848 884120756 /nfs/dbraw/zinc/12/07/56/884120756.db2.gz MOUNXHROUNHKST-UHFFFAOYSA-N -1 0 261.241 -1.590 20 30 CAEDRM COCCN(CCO)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001306990942 884120868 /nfs/dbraw/zinc/12/08/68/884120868.db2.gz PTSMMNOHDZGLEL-UHFFFAOYSA-N -1 0 268.273 -1.610 20 30 CAEDRM CN(CC#N)CCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001316864788 884160782 /nfs/dbraw/zinc/16/07/82/884160782.db2.gz LPIPDJJLCYIYKH-UHFFFAOYSA-N -1 0 268.277 -1.349 20 30 CAEDRM CN(CCNCC#N)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001317657432 884233678 /nfs/dbraw/zinc/23/36/78/884233678.db2.gz PQVGCSVBSGNQSP-UHFFFAOYSA-N -1 0 254.250 -1.739 20 30 CAEDRM CC(C)=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001319403711 884325968 /nfs/dbraw/zinc/32/59/68/884325968.db2.gz MYZATFKHMNKJJO-UHFFFAOYSA-N -1 0 274.302 -1.242 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001319882874 884354869 /nfs/dbraw/zinc/35/48/69/884354869.db2.gz FFLAUPIIPQGJEL-UHFFFAOYSA-N -1 0 275.246 -1.182 20 30 CAEDRM N#Cc1ccc2c(c1)N(C(=O)C(=O)[N-]OCC(N)=O)CC2 ZINC001320617667 884436439 /nfs/dbraw/zinc/43/64/39/884436439.db2.gz GFGOVQWNWVNSQY-UHFFFAOYSA-N -1 0 288.263 -1.020 20 30 CAEDRM CCN(CCNCC#N)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001320781739 884445571 /nfs/dbraw/zinc/44/55/71/884445571.db2.gz KLEYVWLESNQKJZ-UHFFFAOYSA-N -1 0 266.261 -1.142 20 30 CAEDRM C#CCOCCNC(=O)C(=O)[N-]OCCOCC ZINC001323262133 884606856 /nfs/dbraw/zinc/60/68/56/884606856.db2.gz PYFXXPRBULSBQI-UHFFFAOYSA-N -1 0 258.274 -1.163 20 30 CAEDRM C#CCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC001323410630 884617015 /nfs/dbraw/zinc/61/70/15/884617015.db2.gz AUROQIUHAWAXMR-UHFFFAOYSA-N -1 0 299.308 -1.204 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC001324831752 884691515 /nfs/dbraw/zinc/69/15/15/884691515.db2.gz KRJSCCOEDPFSKJ-UHFFFAOYSA-N -1 0 273.274 -1.991 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)Cn1cnc(C(N)=O)n1 ZINC001326505592 884802551 /nfs/dbraw/zinc/80/25/51/884802551.db2.gz JTFQPOZYNHVHCA-UHFFFAOYSA-N -1 0 285.285 -2.154 20 30 CAEDRM C#CCOCCNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001326648218 884818294 /nfs/dbraw/zinc/81/82/94/884818294.db2.gz XZQNRTYQXJJFCV-UHFFFAOYSA-N -1 0 271.273 -2.064 20 30 CAEDRM CS(=O)(=O)CCCn1c(=O)[n-]cc(C#N)c1=O ZINC001326978187 884851163 /nfs/dbraw/zinc/85/11/63/884851163.db2.gz OECPAGNFFJNRDX-UHFFFAOYSA-N -1 0 257.271 -1.157 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NCC(=O)[N-]OCC ZINC001327049772 884857174 /nfs/dbraw/zinc/85/71/74/884857174.db2.gz MHXZTBUDDKJIQQ-SECBINFHSA-N -1 0 283.284 -1.969 20 30 CAEDRM C#C[C@@H]1COCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001328906819 885035116 /nfs/dbraw/zinc/03/51/16/885035116.db2.gz TWEAWHFZMLGWHU-SECBINFHSA-N -1 0 274.284 -1.166 20 30 CAEDRM C=C[C@H](COC)NC(=O)C(=O)NCC(=O)[N-]OCC ZINC001328945937 885036441 /nfs/dbraw/zinc/03/64/41/885036441.db2.gz FVVGJYNVERZZPW-MRVPVSSYSA-N -1 0 273.289 -1.513 20 30 CAEDRM N#CCCCS(=O)(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001329115436 885063942 /nfs/dbraw/zinc/06/39/42/885063942.db2.gz WJCYRHHEQWICIK-VIFPVBQESA-N -1 0 261.303 -1.146 20 30 CAEDRM N#CCCCS(=O)(=O)N[C@]1(C(N)=O)CCOC1 ZINC001329115433 885066025 /nfs/dbraw/zinc/06/60/25/885066025.db2.gz WJCYRHHEQWICIK-SECBINFHSA-N -1 0 261.303 -1.146 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@H](CCO)C(=O)[O-] ZINC001330051149 885169912 /nfs/dbraw/zinc/16/99/12/885169912.db2.gz XZIJAICPPKKYKY-SSDOTTSWSA-N -1 0 265.291 -1.498 20 30 CAEDRM C#CC[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001331189746 885261840 /nfs/dbraw/zinc/26/18/40/885261840.db2.gz RSSRHYUNPLTYRS-MRVPVSSYSA-N -1 0 275.268 -1.428 20 30 CAEDRM C=CCn1cc(CNC(=O)C(=O)NCCC(=O)[O-])nn1 ZINC001331950657 885371062 /nfs/dbraw/zinc/37/10/62/885371062.db2.gz PPITWWXEVVZPKT-UHFFFAOYSA-N -1 0 281.272 -1.329 20 30 CAEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC001332629094 885429570 /nfs/dbraw/zinc/42/95/70/885429570.db2.gz ZHXCCQYDCQABII-RQJHMYQMSA-N -1 0 279.318 -1.598 20 30 CAEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001332818458 885439498 /nfs/dbraw/zinc/43/94/98/885439498.db2.gz JSUYIPDJKUPLCN-UWVGGRQHSA-N -1 0 299.327 -1.122 20 30 CAEDRM COCCN(CC#N)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001332928226 885451599 /nfs/dbraw/zinc/45/15/99/885451599.db2.gz YJGQOQBPFKYBKP-UHFFFAOYSA-N -1 0 298.303 -1.723 20 30 CAEDRM C=CCN(C(=O)C(=O)NCC(=O)[N-]OC)C1CC1 ZINC001333775023 885508502 /nfs/dbraw/zinc/50/85/02/885508502.db2.gz MRVZCONFMGCQAD-UHFFFAOYSA-N -1 0 255.274 -1.043 20 30 CAEDRM COCC#CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001335075131 885578877 /nfs/dbraw/zinc/57/88/77/885578877.db2.gz DZQWGJODDRMUIN-MRVPVSSYSA-N -1 0 251.246 -1.251 20 30 CAEDRM C=CCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@H](C)COC ZINC001335143510 885585356 /nfs/dbraw/zinc/58/53/56/885585356.db2.gz ILVXCZBEJAARIX-SECBINFHSA-N -1 0 287.316 -1.170 20 30 CAEDRM C=CCO[C@@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001335144971 885587125 /nfs/dbraw/zinc/58/71/25/885587125.db2.gz OYCAOTJBSZNHQA-SECBINFHSA-N -1 0 285.300 -1.416 20 30 CAEDRM C#CCOCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC001335209657 885592892 /nfs/dbraw/zinc/59/28/92/885592892.db2.gz REDMGYAORCDJEK-UHFFFAOYSA-N -1 0 252.230 -1.150 20 30 CAEDRM C#C[C@@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001337908647 885730127 /nfs/dbraw/zinc/73/01/27/885730127.db2.gz COAWVKKANGBKAU-MRVPVSSYSA-N -1 0 260.253 -1.216 20 30 CAEDRM C#CCNC(=O)C1CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC001340145578 885795140 /nfs/dbraw/zinc/79/51/40/885795140.db2.gz GTVBVZKCTBWOHN-UHFFFAOYSA-N -1 0 296.327 -1.165 20 30 CAEDRM C#CCOCCNC(=O)C(=O)[N-]OC1CCOCC1 ZINC001342446659 885890256 /nfs/dbraw/zinc/89/02/56/885890256.db2.gz TWTGHEOEADQSSO-UHFFFAOYSA-N -1 0 270.285 -1.021 20 30 CAEDRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC001342658037 885892748 /nfs/dbraw/zinc/89/27/48/885892748.db2.gz RGPOWYXGDAOCJH-ZETCQYMHSA-N -1 0 262.287 -1.257 20 30 CAEDRM C=CCN(CCOC)C(=O)C(=O)NCC(=O)[N-]OCC ZINC001346415952 886003850 /nfs/dbraw/zinc/00/38/50/886003850.db2.gz RMFLQTCSWFORLO-UHFFFAOYSA-N -1 0 287.316 -1.169 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001346415954 886005286 /nfs/dbraw/zinc/00/52/86/886005286.db2.gz ROZGTUZQHXFFSC-LBPRGKRZSA-N -1 0 298.299 -1.953 20 30 CAEDRM COC(=O)C(C)(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361616049 886467288 /nfs/dbraw/zinc/46/72/88/886467288.db2.gz XJLHVFWMOCHGBY-UHFFFAOYSA-N -1 0 294.267 -1.112 20 30 CAEDRM CN(C)C(=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361853213 886496494 /nfs/dbraw/zinc/49/64/94/886496494.db2.gz HUMVJNPLNWKOJS-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM CCNC(=O)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361901110 886499786 /nfs/dbraw/zinc/49/97/86/886499786.db2.gz BBUMTZKXWRRRPJ-SSDOTTSWSA-N -1 0 293.283 -1.539 20 30 CAEDRM C[C@@H]1CC(=O)NN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001361896926 886499912 /nfs/dbraw/zinc/49/99/12/886499912.db2.gz FWXNSUVWFUTCOW-SSDOTTSWSA-N -1 0 291.267 -1.137 20 30 CAEDRM Cn1cc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001361969038 886513502 /nfs/dbraw/zinc/51/35/02/886513502.db2.gz SWDTXWPHEKDXPR-UHFFFAOYSA-N -1 0 288.267 -1.130 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CC[C@H](O)C2)c(=O)[n-]c1=O ZINC001362066313 886526276 /nfs/dbraw/zinc/52/62/76/886526276.db2.gz VZOKEVQNKMQNHG-VIFPVBQESA-N -1 0 278.268 -1.196 20 30 CAEDRM CCOC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362079522 886528952 /nfs/dbraw/zinc/52/89/52/886528952.db2.gz PSRYURLZTYBRQU-ZETCQYMHSA-N -1 0 294.267 -1.112 20 30 CAEDRM CCOC(=O)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362079519 886531093 /nfs/dbraw/zinc/53/10/93/886531093.db2.gz PSRYURLZTYBRQU-SSDOTTSWSA-N -1 0 294.267 -1.112 20 30 CAEDRM N#Cc1cn(CC(=O)NCCn2cccn2)c(=O)[n-]c1=O ZINC001362154156 886547846 /nfs/dbraw/zinc/54/78/46/886547846.db2.gz YAUHGKOGUCFYTC-UHFFFAOYSA-N -1 0 288.267 -1.167 20 30 CAEDRM CN1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1=O ZINC001362251665 886566791 /nfs/dbraw/zinc/56/67/91/886566791.db2.gz CZWYANQQVFKCLP-UHFFFAOYSA-N -1 0 291.267 -1.879 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H](CO)C2CC2)c(=O)[n-]c1=O ZINC001362276959 886573553 /nfs/dbraw/zinc/57/35/53/886573553.db2.gz LHLUUXBBIBJWHW-SECBINFHSA-N -1 0 278.268 -1.292 20 30 CAEDRM COC[C@@H](O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362292244 886578071 /nfs/dbraw/zinc/57/80/71/886578071.db2.gz NFKCGZBTECGOTP-VIFPVBQESA-N -1 0 296.283 -1.666 20 30 CAEDRM CNC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362290276 886578665 /nfs/dbraw/zinc/57/86/65/886578665.db2.gz FNGACZFLIASAMN-LURJTMIESA-N -1 0 279.256 -1.929 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2ncc[nH]2)c(=O)[n-]c1=O ZINC001362283703 886578756 /nfs/dbraw/zinc/57/87/56/886578756.db2.gz JMXGPKXRVOCHSL-UHFFFAOYSA-N -1 0 274.240 -1.140 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@]2(CO)CCOC2)c(=O)[n-]c1=O ZINC001362322644 886586778 /nfs/dbraw/zinc/58/67/78/886586778.db2.gz IBULYPQBNSENKV-LBPRGKRZSA-N -1 0 294.267 -1.912 20 30 CAEDRM Cn1[nH]cnc1=NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362341076 886591021 /nfs/dbraw/zinc/59/10/21/886591021.db2.gz UKMUKTSQZLGXGU-UHFFFAOYSA-N -1 0 275.228 -1.990 20 30 CAEDRM CO[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1 ZINC001362369974 886602057 /nfs/dbraw/zinc/60/20/57/886602057.db2.gz KWCXNPNDTBVSMJ-SNVBAGLBSA-N -1 0 294.267 -1.348 20 30 CAEDRM COC[C@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362385127 886603941 /nfs/dbraw/zinc/60/39/41/886603941.db2.gz LLPIWWWGWHVDBI-SECBINFHSA-N -1 0 296.283 -1.666 20 30 CAEDRM CNC(=O)[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362488388 886627055 /nfs/dbraw/zinc/62/70/55/886627055.db2.gz PBEHCSJCGSZWSQ-SSDOTTSWSA-N -1 0 293.283 -1.539 20 30 CAEDRM Cn1[nH]cnc1=NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362519058 886636063 /nfs/dbraw/zinc/63/60/63/886636063.db2.gz VNZJLXZMQKSPAG-UHFFFAOYSA-N -1 0 289.255 -1.600 20 30 CAEDRM COC[C@@H](CCO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362560065 886646003 /nfs/dbraw/zinc/64/60/03/886646003.db2.gz XKUZOCXZHCSREI-SECBINFHSA-N -1 0 296.283 -1.666 20 30 CAEDRM COC[C@H](CCO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362560071 886648094 /nfs/dbraw/zinc/64/80/94/886648094.db2.gz XKUZOCXZHCSREI-VIFPVBQESA-N -1 0 296.283 -1.666 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CCCNC2=O)c(=O)[n-]c1=O ZINC001362600391 886655750 /nfs/dbraw/zinc/65/57/50/886655750.db2.gz FKSAWQDNELEWLG-QMMMGPOBSA-N -1 0 291.267 -1.785 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1O ZINC001362601675 886656395 /nfs/dbraw/zinc/65/63/95/886656395.db2.gz NTYZESZRNOKXDD-CBAPKCEASA-N -1 0 278.268 -1.340 20 30 CAEDRM CC1(O)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001362623340 886662946 /nfs/dbraw/zinc/66/29/46/886662946.db2.gz RQJZJDMLCLLBDD-UHFFFAOYSA-N -1 0 278.268 -1.196 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CCOCCN2)c(=O)[n-]c1=O ZINC001362638512 886664383 /nfs/dbraw/zinc/66/43/83/886664383.db2.gz IECUBBMKPLFBMN-UHFFFAOYSA-N -1 0 293.283 -1.426 20 30 CAEDRM Cc1nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nn1C ZINC001362765728 886700579 /nfs/dbraw/zinc/70/05/79/886700579.db2.gz CUQWLZQQEIUNIF-UHFFFAOYSA-N -1 0 289.255 -1.104 20 30 CAEDRM COC(=O)[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362818078 886714861 /nfs/dbraw/zinc/71/48/61/886714861.db2.gz OEOLVKNVYBJUQQ-SSDOTTSWSA-N -1 0 294.267 -1.160 20 30 CAEDRM N#Cc1cn(CC(=O)NC2(CCO)CC2)c(=O)[n-]c1=O ZINC001362942801 886750023 /nfs/dbraw/zinc/75/00/23/886750023.db2.gz HWVSKFLLZHGBCV-UHFFFAOYSA-N -1 0 278.268 -1.148 20 30 CAEDRM Cn1nncc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362996773 886763606 /nfs/dbraw/zinc/76/36/06/886763606.db2.gz QWPNIFXDMFPYFN-UHFFFAOYSA-N -1 0 289.255 -1.022 20 30 CAEDRM COCC[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363039665 886775534 /nfs/dbraw/zinc/77/55/34/886775534.db2.gz AJAHGIXRXBKPAC-SECBINFHSA-N -1 0 296.283 -1.666 20 30 CAEDRM Cn1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001363129509 886799706 /nfs/dbraw/zinc/79/97/06/886799706.db2.gz SCAFHCJRIGMBNK-UHFFFAOYSA-N -1 0 288.267 -1.016 20 30 CAEDRM C[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(=O)O1 ZINC001363139449 886801135 /nfs/dbraw/zinc/80/11/35/886801135.db2.gz HNTABJBOGFSJNO-POYBYMJQSA-N -1 0 292.251 -1.359 20 30 CAEDRM Cn1ncc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001363130318 886801257 /nfs/dbraw/zinc/80/12/57/886801257.db2.gz WAHFUGMBODDHFT-UHFFFAOYSA-N -1 0 289.255 -1.621 20 30 CAEDRM C[C@@H]1CS(=O)(=O)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363140805 886803069 /nfs/dbraw/zinc/80/30/69/886803069.db2.gz GTGSRIPOQGWJPU-SSDOTTSWSA-N -1 0 298.324 -1.431 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@](C)(C(N)=O)C2)c(C#N)c1=O ZINC001363160371 886807242 /nfs/dbraw/zinc/80/72/42/886807242.db2.gz SLVIYDFSUBCZHE-LBPRGKRZSA-N -1 0 277.284 -1.353 20 30 CAEDRM CN(Cc1cn(C)nn1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363156777 886809706 /nfs/dbraw/zinc/80/97/06/886809706.db2.gz SRBURNCKIHODRV-UHFFFAOYSA-N -1 0 275.272 -1.290 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](S(C)(=O)=O)C2)c(C#N)c1=O ZINC001363162143 886811147 /nfs/dbraw/zinc/81/11/47/886811147.db2.gz WRZCMMXCPSZLNO-ZETCQYMHSA-N -1 0 298.324 -1.431 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](S(C)(=O)=O)C2)c(C#N)c1=O ZINC001363162141 886812610 /nfs/dbraw/zinc/81/26/10/886812610.db2.gz WRZCMMXCPSZLNO-SSDOTTSWSA-N -1 0 298.324 -1.431 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@@H]3COCC[C@@H]32)c(C#N)c1=O ZINC001363170286 886813186 /nfs/dbraw/zinc/81/31/86/886813186.db2.gz ZGJSTQMJIJIUHY-VHSXEESVSA-N -1 0 292.295 -1.061 20 30 CAEDRM Cn1nccc1[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363162712 886813199 /nfs/dbraw/zinc/81/31/99/886813199.db2.gz NUAPUZGQUUBZEK-SECBINFHSA-N -1 0 290.283 -1.176 20 30 CAEDRM C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC(=O)N1C ZINC001363160440 886813365 /nfs/dbraw/zinc/81/33/65/886813365.db2.gz SOJAWYHTSFSTFY-SSDOTTSWSA-N -1 0 277.284 -1.388 20 30 CAEDRM Cn1cncc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363181295 886819411 /nfs/dbraw/zinc/81/94/11/886819411.db2.gz SLQYQTXLMCGBLV-UHFFFAOYSA-N -1 0 288.267 -1.130 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H](O)[C@H](CO)C2)c(=O)[n-]c1=O ZINC001363246836 886838272 /nfs/dbraw/zinc/83/82/72/886838272.db2.gz JVGACMQVEZWBLF-IUCAKERBSA-N -1 0 294.267 -2.368 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@@]2(O)CCOC2)c(=O)[n-]c1=O ZINC001363289131 886858020 /nfs/dbraw/zinc/85/80/20/886858020.db2.gz VDOMPNHMFNLMRU-GFCCVEGCSA-N -1 0 294.267 -1.912 20 30 CAEDRM CCNC(=O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001363473480 886908514 /nfs/dbraw/zinc/90/85/14/886908514.db2.gz PIRVEAISLXRCOI-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM CC(=O)N[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001363483524 886912072 /nfs/dbraw/zinc/91/20/72/886912072.db2.gz MQYQZDDSITYPTE-SSDOTTSWSA-N -1 0 293.283 -1.539 20 30 CAEDRM N#Cc1cn(CCNC(=O)CC2OCCO2)c(=O)[n-]c1=O ZINC001363485304 886913506 /nfs/dbraw/zinc/91/35/06/886913506.db2.gz YCYAUXYNGTXLKA-UHFFFAOYSA-N -1 0 294.267 -1.300 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2CCC(=O)N2)c(=O)[n-]c1=O ZINC001363482310 886913529 /nfs/dbraw/zinc/91/35/29/886913529.db2.gz KWXCBAMGDQZVTM-MRVPVSSYSA-N -1 0 291.267 -1.785 20 30 CAEDRM COC(=O)[C@@H](F)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363573011 886937256 /nfs/dbraw/zinc/93/72/56/886937256.db2.gz ACGNDYDPVAXCAF-ZETCQYMHSA-N -1 0 298.230 -1.552 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@@H](O)[C@@H](O)C2)c(=O)[n-]c1=O ZINC001363631094 886950400 /nfs/dbraw/zinc/95/04/00/886950400.db2.gz QTCQVGPAMXACEM-BDAKNGLRSA-N -1 0 294.267 -2.225 20 30 CAEDRM N#Cc1cn(CC(=O)Nn2ccccc2=O)c(=O)[n-]c1=O ZINC001363716766 886966326 /nfs/dbraw/zinc/96/63/26/886966326.db2.gz XVAAOUPUYQKIGO-UHFFFAOYSA-N -1 0 287.235 -1.247 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@]2(CO)COCCN2)c(C#N)c1=O ZINC001363741574 886968994 /nfs/dbraw/zinc/96/89/94/886968994.db2.gz TZQAMQVJUMEDJN-LBPRGKRZSA-N -1 0 295.299 -2.292 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN(CCO)CC2)c(C#N)c1=O ZINC001363733847 886969664 /nfs/dbraw/zinc/96/96/64/886969664.db2.gz GAIFCRLIKCMURS-UHFFFAOYSA-N -1 0 279.300 -1.940 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@]2(CO)COCCN2)c(C#N)c1=O ZINC001363741551 886969729 /nfs/dbraw/zinc/96/97/29/886969729.db2.gz TZQAMQVJUMEDJN-GFCCVEGCSA-N -1 0 295.299 -2.292 20 30 CAEDRM COCC1(O)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001363724636 886969802 /nfs/dbraw/zinc/96/98/02/886969802.db2.gz NFLDUAOAVKJRBM-UHFFFAOYSA-N -1 0 294.311 -1.077 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN(C(=O)C3CC3)C2)c(C#N)c1=O ZINC001363730816 886970223 /nfs/dbraw/zinc/97/02/23/886970223.db2.gz PKFAFVSBDMSWGO-UHFFFAOYSA-N -1 0 289.295 -1.039 20 30 CAEDRM CN(C)C(=O)NCCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363725091 886970295 /nfs/dbraw/zinc/97/02/95/886970295.db2.gz OOSGJUFJJYPYPL-UHFFFAOYSA-N -1 0 294.315 -1.347 20 30 CAEDRM COC[C@]1(CO)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363733309 886970827 /nfs/dbraw/zinc/97/08/27/886970827.db2.gz PXSIAYDUJNOQKH-CYBMUJFWSA-N -1 0 294.311 -1.220 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H](CO)c2ncc[nH]2)c(C#N)c1=O ZINC001363753049 886972345 /nfs/dbraw/zinc/97/23/45/886972345.db2.gz UMTZZBCQXBBCGP-ZETCQYMHSA-N -1 0 276.256 -1.186 20 30 CAEDRM CN(C[C@H]1COCCO1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363744648 886972444 /nfs/dbraw/zinc/97/24/44/886972444.db2.gz PDYBAMKSMHRYPL-QMMMGPOBSA-N -1 0 280.284 -1.203 20 30 CAEDRM CN1CCOC[C@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363746442 886972638 /nfs/dbraw/zinc/97/26/38/886972638.db2.gz UVNOBNUIHYENFI-MRVPVSSYSA-N -1 0 279.300 -1.312 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN(CCC#N)CC2)c(C#N)c1=O ZINC001363745505 886972686 /nfs/dbraw/zinc/97/26/86/886972686.db2.gz RBGQCAQWPHSQKG-UHFFFAOYSA-N -1 0 288.311 -1.019 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2C(=O)NCC2(C)C)c(C#N)c1=O ZINC001363745811 886973342 /nfs/dbraw/zinc/97/33/42/886973342.db2.gz VRIUEZPTAKKDQM-SSDOTTSWSA-N -1 0 277.284 -1.118 20 30 CAEDRM CCNC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363860231 886998653 /nfs/dbraw/zinc/99/86/53/886998653.db2.gz ZJTSEQIKLNSKOI-UHFFFAOYSA-N -1 0 279.256 -1.927 20 30 CAEDRM Cn1nncc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001364110316 887034524 /nfs/dbraw/zinc/03/45/24/887034524.db2.gz XXMGSVLTZKHGLK-UHFFFAOYSA-N -1 0 289.255 -1.621 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(n3cncn3)C2)c(C#N)c1=O ZINC001364170003 887038705 /nfs/dbraw/zinc/03/87/05/887038705.db2.gz MVISGCXVGRWSGD-UHFFFAOYSA-N -1 0 273.256 -1.402 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@@H](C(N)=O)C2)c(C#N)c1=O ZINC001364151471 887038901 /nfs/dbraw/zinc/03/89/01/887038901.db2.gz UZSSTAMUTPLBLR-SSDOTTSWSA-N -1 0 279.256 -2.364 20 30 CAEDRM C[C@H]1CCNC(=O)[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364172969 887039060 /nfs/dbraw/zinc/03/90/60/887039060.db2.gz SMQZEGIRWPXSQG-POYBYMJQSA-N -1 0 277.284 -1.118 20 30 CAEDRM CN1CC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001364172876 887039093 /nfs/dbraw/zinc/03/90/93/887039093.db2.gz SECWXIGBDJYTMY-SSDOTTSWSA-N -1 0 277.284 -1.022 20 30 CAEDRM CN1CC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001364172880 887039165 /nfs/dbraw/zinc/03/91/65/887039165.db2.gz SECWXIGBDJYTMY-ZETCQYMHSA-N -1 0 277.284 -1.022 20 30 CAEDRM C[C@@H](CS(C)(=O)=O)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364161052 887039194 /nfs/dbraw/zinc/03/91/94/887039194.db2.gz BEGQKFNSTFDYGO-LURJTMIESA-N -1 0 286.313 -1.210 20 30 CAEDRM C[C@H](CS(C)(=O)=O)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364161055 887040112 /nfs/dbraw/zinc/04/01/12/887040112.db2.gz BEGQKFNSTFDYGO-ZCFIWIBFSA-N -1 0 286.313 -1.210 20 30 CAEDRM C[C@@H](O)C[C@@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364182928 887042394 /nfs/dbraw/zinc/04/23/94/887042394.db2.gz NRHSLJYMJDTCGA-RKDXNWHRSA-N -1 0 294.311 -1.079 20 30 CAEDRM CCC[C@H](O)[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364187799 887043478 /nfs/dbraw/zinc/04/34/78/887043478.db2.gz BWGGELMMKNRCHV-IUCAKERBSA-N -1 0 282.300 -1.121 20 30 CAEDRM Cn1cc([C@@H](CO)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1 ZINC001364179158 887043519 /nfs/dbraw/zinc/04/35/19/887043519.db2.gz CYEXCWCCGCSPOV-SECBINFHSA-N -1 0 290.283 -1.176 20 30 CAEDRM C[C@H](O)[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001364198207 887043722 /nfs/dbraw/zinc/04/37/22/887043722.db2.gz DYVIAGWIXNVVGK-CBAPKCEASA-N -1 0 280.284 -1.469 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC3(C2)CNC(=O)O3)c(C#N)c1=O ZINC001364205148 887046414 /nfs/dbraw/zinc/04/64/14/887046414.db2.gz UPEJZWKPGCKDLG-UHFFFAOYSA-N -1 0 277.240 -1.756 20 30 CAEDRM CNC(=O)[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364201330 887046644 /nfs/dbraw/zinc/04/66/44/887046644.db2.gz OBOLVYOLZTWRNT-SSDOTTSWSA-N -1 0 277.284 -1.482 20 30 CAEDRM CC(=O)N1CC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364229406 887049692 /nfs/dbraw/zinc/04/96/92/887049692.db2.gz VENMLJGFXAGOTC-MRVPVSSYSA-N -1 0 277.284 -1.022 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](CCO)[C@H](CO)C2)c(C#N)c1=O ZINC001364265459 887052522 /nfs/dbraw/zinc/05/25/22/887052522.db2.gz JTTIGAKYZLSFTQ-IUCAKERBSA-N -1 0 294.311 -1.628 20 30 CAEDRM C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364250032 887052983 /nfs/dbraw/zinc/05/29/83/887052983.db2.gz IULYDPJBGITNAT-SVRRBLITSA-N -1 0 298.324 -1.210 20 30 CAEDRM N#C[C@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001364551078 887104266 /nfs/dbraw/zinc/10/42/66/887104266.db2.gz UVXYZOKJMMIMRC-OIBJUYFYSA-N -1 0 283.313 -1.120 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC[C@@H](C(N)=O)C2)c(C#N)c1=O ZINC001364547294 887105825 /nfs/dbraw/zinc/10/58/25/887105825.db2.gz RCMVIFOUFMDTOJ-SSDOTTSWSA-N -1 0 277.284 -1.353 20 30 CAEDRM CNC(=O)C1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001364532691 887106198 /nfs/dbraw/zinc/10/61/98/887106198.db2.gz LLHNNDBBMKPHHB-UHFFFAOYSA-N -1 0 291.311 -1.092 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC[C@H](C(N)=O)C2)c(C#N)c1=O ZINC001364547296 887106261 /nfs/dbraw/zinc/10/62/61/887106261.db2.gz RCMVIFOUFMDTOJ-ZETCQYMHSA-N -1 0 277.284 -1.353 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H]2CCS(=O)(=O)C2)c(C#N)c1=O ZINC001364531610 887106685 /nfs/dbraw/zinc/10/66/85/887106685.db2.gz IFDADXNXHGOMDH-ZETCQYMHSA-N -1 0 298.324 -1.208 20 30 CAEDRM CNC(=O)N[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364558028 887109797 /nfs/dbraw/zinc/10/97/97/887109797.db2.gz SGPBNIXRLGFWBH-ZETCQYMHSA-N -1 0 292.299 -1.547 20 30 CAEDRM Cc1nnc(C2CN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)[nH]1 ZINC001364591570 887112322 /nfs/dbraw/zinc/11/23/22/887112322.db2.gz YFKYHRIQFSKJQL-UHFFFAOYSA-N -1 0 287.283 -1.024 20 30 CAEDRM N#C[C@@H]1COCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001364653111 887117972 /nfs/dbraw/zinc/11/79/72/887117972.db2.gz YEQQZOIBQBNSOW-MRVPVSSYSA-N -1 0 275.272 -1.276 20 30 CAEDRM N#C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001364814112 887139099 /nfs/dbraw/zinc/13/90/99/887139099.db2.gz UVXYZOKJMMIMRC-XVKPBYJWSA-N -1 0 283.313 -1.120 20 30 CAEDRM N#Cc1cn(CCNS(=O)(=O)C2CC2)c(=O)[n-]c1=O ZINC001364889320 887152299 /nfs/dbraw/zinc/15/22/99/887152299.db2.gz UKZCXQWZHVIAKG-UHFFFAOYSA-N -1 0 284.297 -1.098 20 30 CAEDRM CCN1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001365227683 887181111 /nfs/dbraw/zinc/18/11/11/887181111.db2.gz OTKWXURNYCEFOF-SSDOTTSWSA-N -1 0 277.284 -1.022 20 30 CAEDRM CCOC(=O)[C@@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365226681 887181177 /nfs/dbraw/zinc/18/11/77/887181177.db2.gz XXKARTVYQHMFSZ-LBPRGKRZSA-N -1 0 296.283 -1.329 20 30 CAEDRM CO[C@@]1(CO)CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001365228647 887182284 /nfs/dbraw/zinc/18/22/84/887182284.db2.gz CQADINPDBKYAGV-ZDUSSCGKSA-N -1 0 294.311 -1.077 20 30 CAEDRM CCN1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001365227685 887182658 /nfs/dbraw/zinc/18/26/58/887182658.db2.gz OTKWXURNYCEFOF-ZETCQYMHSA-N -1 0 277.284 -1.022 20 30 CAEDRM C[C@H]1OCC[C@]1(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365220751 887182753 /nfs/dbraw/zinc/18/27/53/887182753.db2.gz HRFXRAYCJOTVSZ-KRTXAFLBSA-N -1 0 280.284 -1.103 20 30 CAEDRM C[C@H]1OCC[C@@]1(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365220747 887182773 /nfs/dbraw/zinc/18/27/73/887182773.db2.gz HRFXRAYCJOTVSZ-JMCQJSRRSA-N -1 0 280.284 -1.103 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(N3CCCC3=O)C2)c(C#N)c1=O ZINC001365238818 887185479 /nfs/dbraw/zinc/18/54/79/887185479.db2.gz OQCQQQRXSPRAAF-UHFFFAOYSA-N -1 0 289.295 -1.244 20 30 CAEDRM CN(C)[S@@](C)(=O)=NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC001365260611 887187793 /nfs/dbraw/zinc/18/77/93/887187793.db2.gz PIKAOKZOXJGQTH-FQEVSTJZSA-N -1 0 299.312 -1.491 20 30 CAEDRM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403923741 889391826 /nfs/dbraw/zinc/39/18/26/889391826.db2.gz ZRLRBFNZZHEEDN-BDAKNGLRSA-N -1 0 296.331 -1.079 20 30 CAEDRM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403923759 889392588 /nfs/dbraw/zinc/39/25/88/889392588.db2.gz ZRLRBFNZZHEEDN-IUCAKERBSA-N -1 0 296.331 -1.079 20 30 CAEDRM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403923767 889392889 /nfs/dbraw/zinc/39/28/89/889392889.db2.gz ZRLRBFNZZHEEDN-RKDXNWHRSA-N -1 0 296.331 -1.079 20 30 CAEDRM C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001405726230 889469143 /nfs/dbraw/zinc/46/91/43/889469143.db2.gz FITYRLQCHMCKJU-RKDXNWHRSA-N -1 0 294.315 -1.013 20 30 CAEDRM CNC(=O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001411629159 889756487 /nfs/dbraw/zinc/75/64/87/889756487.db2.gz JDYOOBQAOJWSFM-UHFFFAOYSA-N -1 0 279.256 -1.927 20 30 CAEDRM N#Cc1cn(CC(=O)NCCc2ncc[nH]2)c(=O)[n-]c1=O ZINC001411800885 889765486 /nfs/dbraw/zinc/76/54/86/889765486.db2.gz NKEVZVFHXHAIQE-UHFFFAOYSA-N -1 0 288.267 -1.097 20 30 CAEDRM COC[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)OC ZINC001412007164 889780965 /nfs/dbraw/zinc/78/09/65/889780965.db2.gz MHTAULLHAVYXKU-SECBINFHSA-N -1 0 296.283 -1.402 20 30 CAEDRM COC[C@@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001412095965 889789161 /nfs/dbraw/zinc/78/91/61/889789161.db2.gz KBSMFIDGVRTVPN-SECBINFHSA-N -1 0 296.283 -1.666 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O ZINC001412368480 889815040 /nfs/dbraw/zinc/81/50/40/889815040.db2.gz GOTKOCIPXZZDNT-KYZUINATSA-N -1 0 278.268 -1.150 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@@]3(O)C[C@H]3C2)c(=O)[n-]c1=O ZINC001412347083 889815151 /nfs/dbraw/zinc/81/51/51/889815151.db2.gz WFWRZMGAHPEAEV-TVQRCGJNSA-N -1 0 290.279 -1.196 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CCC[C@@H]2O)c(=O)[n-]c1=O ZINC001412404681 889824720 /nfs/dbraw/zinc/82/47/20/889824720.db2.gz XBEKWYWTXNKWJK-IUCAKERBSA-N -1 0 278.268 -1.150 20 30 CAEDRM CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(=O)OC ZINC001412617337 889856960 /nfs/dbraw/zinc/85/69/60/889856960.db2.gz IMLALAQYRSLECU-QMMMGPOBSA-N -1 0 294.267 -1.112 20 30 CAEDRM N#Cc1cn(CC(=O)N(CCO)C2CC2)c(=O)[n-]c1=O ZINC001412702040 889865545 /nfs/dbraw/zinc/86/55/45/889865545.db2.gz XLMKYGBSDABACV-UHFFFAOYSA-N -1 0 278.268 -1.196 20 30 CAEDRM COC(=O)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001412681765 889866388 /nfs/dbraw/zinc/86/63/88/889866388.db2.gz YXVCKLAXJBDXGM-ZCFIWIBFSA-N -1 0 280.240 -1.502 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H]3COC[C@H](C2)O3)c(C#N)c1=O ZINC001412884771 889903794 /nfs/dbraw/zinc/90/37/94/889903794.db2.gz OVGDVXFTPDHACY-OCAPTIKFSA-N -1 0 278.268 -1.451 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](CO)[C@H](O)C2)c(C#N)c1=O ZINC001412881740 889904006 /nfs/dbraw/zinc/90/40/06/889904006.db2.gz JEEJFJBULDRHIW-IONNQARKSA-N -1 0 280.284 -1.875 20 30 CAEDRM Cn1c(=O)[n-]c(NC2CCS(=O)(=O)CC2)c(C#N)c1=O ZINC001412873820 889905780 /nfs/dbraw/zinc/90/57/80/889905780.db2.gz ZZIJYVCFTYPHAH-UHFFFAOYSA-N -1 0 298.324 -1.066 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@H](CC(N)=O)C2)c(C#N)c1=O ZINC001412891621 889908045 /nfs/dbraw/zinc/90/80/45/889908045.db2.gz IHQQPVRENIFUOJ-SSDOTTSWSA-N -1 0 293.283 -1.974 20 30 CAEDRM CS(C)(=O)=NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC001412924153 889911033 /nfs/dbraw/zinc/91/10/33/889911033.db2.gz YNHJPLXGWCYSFV-UHFFFAOYSA-N -1 0 270.270 -1.338 20 30 CAEDRM Cn1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001413026981 889929953 /nfs/dbraw/zinc/92/99/53/889929953.db2.gz KJPCTIDVVPFQRZ-UHFFFAOYSA-N -1 0 289.255 -1.022 20 30 CAEDRM N#Cc1cn(CCNS(=O)(=O)N2CCC2)c(=O)[n-]c1=O ZINC001413399371 889976524 /nfs/dbraw/zinc/97/65/24/889976524.db2.gz NXYPPEGBDXKAMF-UHFFFAOYSA-N -1 0 299.312 -1.639 20 30 CAEDRM COC[C@@](C)(CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001413407919 889981630 /nfs/dbraw/zinc/98/16/30/889981630.db2.gz WSZZUKICPQJDFT-GFCCVEGCSA-N -1 0 296.283 -1.666 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@](F)(CO)C2)c(=O)[n-]c1=O ZINC001413849981 890020668 /nfs/dbraw/zinc/02/06/68/890020668.db2.gz OQIDGNJMOBRROJ-GFCCVEGCSA-N -1 0 296.258 -1.247 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCSC[C@H]2CO)c(C#N)c1=O ZINC001413885477 890025970 /nfs/dbraw/zinc/02/59/70/890025970.db2.gz TZGBEBZVPNANGE-SSDOTTSWSA-N -1 0 282.325 -1.141 20 30 CAEDRM COC(=O)[C@H]1C[C@@H](O)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001413911577 890026438 /nfs/dbraw/zinc/02/64/38/890026438.db2.gz KVYBILWIUCZHMJ-HTRCEHHLSA-N -1 0 294.267 -1.942 20 30 CAEDRM CN(C)C(=O)[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001413896633 890026765 /nfs/dbraw/zinc/02/67/65/890026765.db2.gz PNZKKMMJWQLWPY-MRVPVSSYSA-N -1 0 291.311 -1.140 20 30 CAEDRM CC(=O)N[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001413894492 890027024 /nfs/dbraw/zinc/02/70/24/890027024.db2.gz PFQGBEZCKYRWEC-QMMMGPOBSA-N -1 0 277.284 -1.340 20 30 CAEDRM CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1CCNC1=O ZINC001417683143 890154917 /nfs/dbraw/zinc/15/49/17/890154917.db2.gz GXSVOQKSZAXNJA-MRVPVSSYSA-N -1 0 291.267 -1.833 20 30 CAEDRM CN1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1=O ZINC001417721975 890165751 /nfs/dbraw/zinc/16/57/51/890165751.db2.gz QKHYRKZGRDAVRF-QMMMGPOBSA-N -1 0 291.267 -1.833 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H]2COCO2)c(=O)[n-]c1=O ZINC001417890150 890176443 /nfs/dbraw/zinc/17/64/43/890176443.db2.gz CXBRPSVONLGEDH-QMMMGPOBSA-N -1 0 280.240 -1.690 20 30 CAEDRM C[C@H]1C(=O)N(C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001418329166 890212259 /nfs/dbraw/zinc/21/22/59/890212259.db2.gz LJOLZHAWYHAMRB-ZETCQYMHSA-N -1 0 291.267 -1.533 20 30 CAEDRM CC[C@H](CO)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001418536172 890239427 /nfs/dbraw/zinc/23/94/27/890239427.db2.gz HEIFGBHQPFZPAE-MRVPVSSYSA-N -1 0 280.284 -1.045 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2COC[C@@H]2O)c(=O)[n-]c1=O ZINC001418861560 890272602 /nfs/dbraw/zinc/27/26/02/890272602.db2.gz FPQSHPDTYYBNIO-SFYZADRCSA-N -1 0 280.240 -2.304 20 30 CAEDRM N#C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C1CC1 ZINC001418948937 890274122 /nfs/dbraw/zinc/27/41/22/890274122.db2.gz UHYZMAUNVCUHAZ-SECBINFHSA-N -1 0 292.299 -1.112 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCCNC(=O)C2)c(=O)[n-]c1=O ZINC001419281532 890316414 /nfs/dbraw/zinc/31/64/14/890316414.db2.gz APSWJWVWSMCSNE-UHFFFAOYSA-N -1 0 291.267 -1.831 20 30 CAEDRM CCNC(=O)CN(CC)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421038518 890481247 /nfs/dbraw/zinc/48/12/47/890481247.db2.gz KIYPVPMNOGOCJY-UHFFFAOYSA-N -1 0 279.300 -1.092 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)CC[C@H]3C2)c(C#N)c1=O ZINC001421089256 890484056 /nfs/dbraw/zinc/48/40/56/890484056.db2.gz OUOFQCXOLHZOCX-QMMMGPOBSA-N -1 0 289.295 -1.244 20 30 CAEDRM CN1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1=O ZINC001421081890 890485538 /nfs/dbraw/zinc/48/55/38/890485538.db2.gz MLGZKZSPTKYHGM-ZETCQYMHSA-N -1 0 277.284 -1.022 20 30 CAEDRM C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)NCCF ZINC001421120941 890487138 /nfs/dbraw/zinc/48/71/38/890487138.db2.gz GGKKJRLGDZEVCU-ZCFIWIBFSA-N -1 0 283.263 -1.169 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(=O)N2CCCO2)c(C#N)c1=O ZINC001421162801 890489220 /nfs/dbraw/zinc/48/92/20/890489220.db2.gz ZGYZLEWQLAHDFE-UHFFFAOYSA-N -1 0 279.256 -1.479 20 30 CAEDRM N#C[C@H]1CN(Cc2cc(=O)n3[n-]c(N)nc3n2)CCO1 ZINC001421493640 890518390 /nfs/dbraw/zinc/51/83/90/890518390.db2.gz KTRLPZRRQYHHJM-QMMMGPOBSA-N -1 0 275.272 -1.276 20 30 CAEDRM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423752869 890693166 /nfs/dbraw/zinc/69/31/66/890693166.db2.gz ZREUGDCCUZNITD-QPUJVOFHSA-N -1 0 294.315 -1.277 20 30 CAEDRM CC[S@](=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433703279 891047665 /nfs/dbraw/zinc/04/76/65/891047665.db2.gz MKEXVGZEXZJTBF-FQEVSTJZSA-N -1 0 298.324 -1.295 20 30 CAEDRM CNC(=O)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001433708178 891048673 /nfs/dbraw/zinc/04/86/73/891048673.db2.gz CNSXXLMCDWNOCB-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM COC[C@](C)(O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433735038 891048998 /nfs/dbraw/zinc/04/89/98/891048998.db2.gz JGSFFTMATOZPTQ-GFCCVEGCSA-N -1 0 296.283 -1.666 20 30 CAEDRM COC[C@@](C)(O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433735039 891049298 /nfs/dbraw/zinc/04/92/98/891049298.db2.gz JGSFFTMATOZPTQ-LBPRGKRZSA-N -1 0 296.283 -1.666 20 30 CAEDRM Cn1cnc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001433823851 891054495 /nfs/dbraw/zinc/05/44/95/891054495.db2.gz XBNMOPKUGOTKGI-UHFFFAOYSA-N -1 0 289.255 -1.735 20 30 CAEDRM CO[C@@H]1COC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001434053940 891074160 /nfs/dbraw/zinc/07/41/60/891074160.db2.gz FYAQOCABZRRYFX-DTWKUNHWSA-N -1 0 294.267 -1.649 20 30 CAEDRM N#Cc1cn(CCNC(=O)c2cnc[nH]2)c(=O)[n-]c1=O ZINC001434205831 891088652 /nfs/dbraw/zinc/08/86/52/891088652.db2.gz DGRFEGSJGOCTKT-UHFFFAOYSA-N -1 0 274.240 -1.026 20 30 CAEDRM N#Cc1cn(CCNC(=O)c2ccn[nH]2)c(=O)[n-]c1=O ZINC001434208133 891088844 /nfs/dbraw/zinc/08/88/44/891088844.db2.gz RGCMAQHBHJPGJQ-UHFFFAOYSA-N -1 0 274.240 -1.026 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@@H]3COC[C@@H]3C2)c(=O)[n-]c1=O ZINC001434349416 891107631 /nfs/dbraw/zinc/10/76/31/891107631.db2.gz HJGGYAHXSDURCR-AOOOYVTPSA-N -1 0 290.279 -1.075 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCCN(C(N)=O)CC2)c(C#N)c1=O ZINC001434435980 891116303 /nfs/dbraw/zinc/11/63/03/891116303.db2.gz KPLZOLFXNAXFJR-UHFFFAOYSA-N -1 0 292.299 -1.464 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H]2CCCS2(=O)=O)c(C#N)c1=O ZINC001434444953 891117909 /nfs/dbraw/zinc/11/79/09/891117909.db2.gz QLRCVRGLURCAQC-ZETCQYMHSA-N -1 0 298.324 -1.066 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(=O)N2CCOCC2)c(C#N)c1=O ZINC001434442793 891117919 /nfs/dbraw/zinc/11/79/19/891117919.db2.gz NFXUNVQBQFVOFZ-UHFFFAOYSA-N -1 0 293.283 -1.784 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCOC[C@H]2CC(N)=O)c(C#N)c1=O ZINC001434449508 891117956 /nfs/dbraw/zinc/11/79/56/891117956.db2.gz XXAJFDDJFOMEDM-SSDOTTSWSA-N -1 0 293.283 -1.974 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](NC(N)=O)C2)c(C#N)c1=O ZINC001434442610 891118090 /nfs/dbraw/zinc/11/80/90/891118090.db2.gz JFTRXUJSMQLNQO-ZCFIWIBFSA-N -1 0 278.272 -1.808 20 30 CAEDRM Cn1nc2c(c1N)CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C2 ZINC001434446918 891118293 /nfs/dbraw/zinc/11/82/93/891118293.db2.gz ZIODFNCDEVAXFQ-UHFFFAOYSA-N -1 0 287.283 -1.219 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H](O)[C@H]2CCCO2)c(C#N)c1=O ZINC001434448036 891118487 /nfs/dbraw/zinc/11/84/87/891118487.db2.gz CXHMVTBKBNVMBQ-DTWKUNHWSA-N -1 0 280.284 -1.103 20 30 CAEDRM N#Cc1cn(CCC(=O)NCCO)c(=O)[n-]c1=O ZINC001440482525 891368075 /nfs/dbraw/zinc/36/80/75/891368075.db2.gz XFFKMEKMAOJJJH-UHFFFAOYSA-N -1 0 252.230 -1.681 20 30 CAEDRM CN(C)C(=O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001440651396 891379239 /nfs/dbraw/zinc/37/92/39/891379239.db2.gz JTIYHJWQJWDVQD-UHFFFAOYSA-N -1 0 293.283 -1.633 20 30 CAEDRM N#Cc1cn(CC(=O)NCC(=O)NC2CC2)c(=O)[n-]c1=O ZINC001440647983 891379571 /nfs/dbraw/zinc/37/95/71/891379571.db2.gz VPLKLSMJKLQNSB-UHFFFAOYSA-N -1 0 291.267 -1.785 20 30 CAEDRM CN(C)C(=O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001440762796 891381312 /nfs/dbraw/zinc/38/13/12/891381312.db2.gz PNYWYITUZDPEFV-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM N#C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001443309747 891522086 /nfs/dbraw/zinc/52/20/86/891522086.db2.gz DUPYFDJRPBWPKB-LURJTMIESA-N -1 0 253.218 -1.560 20 30 CAEDRM CCN(CC(=O)NC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001443477000 891525632 /nfs/dbraw/zinc/52/56/32/891525632.db2.gz BMMJYRBROHLPPM-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM CN1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1=O ZINC001443541723 891530657 /nfs/dbraw/zinc/53/06/57/891530657.db2.gz UCXBMRFIHXGUSY-MRVPVSSYSA-N -1 0 291.267 -1.833 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443962085 891544039 /nfs/dbraw/zinc/54/40/39/891544039.db2.gz KJYYQUVPSPUFFH-YFKPBYRVSA-N -1 0 251.202 -1.353 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCN1C ZINC001444104209 891555193 /nfs/dbraw/zinc/55/51/93/891555193.db2.gz YDJJXZCSSIWHQI-VIFPVBQESA-N -1 0 291.311 -1.017 20 30 CAEDRM C[C@H](O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001445406838 891632251 /nfs/dbraw/zinc/63/22/51/891632251.db2.gz GWAIXKXDNYHUSK-ZETCQYMHSA-N -1 0 266.257 -1.340 20 30 CAEDRM C[C@@H](O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001445406832 891633694 /nfs/dbraw/zinc/63/36/94/891633694.db2.gz GWAIXKXDNYHUSK-SSDOTTSWSA-N -1 0 266.257 -1.340 20 30 CAEDRM C#CCOCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001446783451 891691648 /nfs/dbraw/zinc/69/16/48/891691648.db2.gz LCKLTAZFQBFETN-UHFFFAOYSA-N -1 0 290.279 -1.023 20 30 CAEDRM C[C@H](C#N)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446827639 891693526 /nfs/dbraw/zinc/69/35/26/891693526.db2.gz HHXMWACHMBFQRM-SSDOTTSWSA-N -1 0 280.288 -1.667 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCC[C@@H]2CO)c(=O)[n-]c1=O ZINC001447955179 891745882 /nfs/dbraw/zinc/74/58/82/891745882.db2.gz ZQTUXKVMMZJFRX-SECBINFHSA-N -1 0 278.268 -1.196 20 30 CAEDRM COC[C@@H](OC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001453843386 891981974 /nfs/dbraw/zinc/98/19/74/891981974.db2.gz OLEMSDQNGLNPOR-SECBINFHSA-N -1 0 296.283 -1.402 20 30 CAEDRM COC[C@@](C)(O)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001453840674 891982421 /nfs/dbraw/zinc/98/24/21/891982421.db2.gz FLMMOKJHNMYPQJ-GFCCVEGCSA-N -1 0 296.283 -1.666 20 30 CAEDRM CC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)COC1 ZINC001453843200 891982580 /nfs/dbraw/zinc/98/25/80/891982580.db2.gz NHNNZCSKDZCSGM-UHFFFAOYSA-N -1 0 278.268 -1.027 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001455132494 892024696 /nfs/dbraw/zinc/02/46/96/892024696.db2.gz MKWZHJQXAGJGAG-ZETCQYMHSA-N -1 0 273.260 -1.321 20 30 CAEDRM COC[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001455215334 892031434 /nfs/dbraw/zinc/03/14/34/892031434.db2.gz RBYDEGQQTSWTTE-ZETCQYMHSA-N -1 0 266.257 -1.028 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CCOCN2)c(=O)[n-]c1=O ZINC001455951523 892062296 /nfs/dbraw/zinc/06/22/96/892062296.db2.gz MFVWRSSXPPTEQS-UHFFFAOYSA-N -1 0 279.256 -1.468 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(C(N)=O)CC2)c(C#N)c1=O ZINC001458063460 892115410 /nfs/dbraw/zinc/11/54/10/892115410.db2.gz VMJAOACMOMIDCG-UHFFFAOYSA-N -1 0 277.284 -1.353 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC3(CC(=O)N3)CC2)c(C#N)c1=O ZINC001458145281 892117489 /nfs/dbraw/zinc/11/74/89/892117489.db2.gz UFWVPIIILVLWGQ-UHFFFAOYSA-N -1 0 289.295 -1.196 20 30 CAEDRM CNC(=O)[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001458177900 892118126 /nfs/dbraw/zinc/11/81/26/892118126.db2.gz GLGRGAWPVGBUQI-QMMMGPOBSA-N -1 0 291.311 -1.092 20 30 CAEDRM CN(C)C(=O)NCCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458260855 892118742 /nfs/dbraw/zinc/11/87/42/892118742.db2.gz KEBCPDIKEKNBOB-UHFFFAOYSA-N -1 0 280.288 -1.372 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)OC[C@@H]3C2)c(C#N)c1=O ZINC001458237923 892118761 /nfs/dbraw/zinc/11/87/61/892118761.db2.gz PXXREDQPGKGFRM-ZETCQYMHSA-N -1 0 291.267 -1.414 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC[C@@H]2CO)c(C#N)c1=O ZINC001458130575 892119010 /nfs/dbraw/zinc/11/90/10/892119010.db2.gz AXQRYJJRHJNRKF-SSDOTTSWSA-N -1 0 250.258 -1.094 20 30 CAEDRM COC(=O)[C@@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458307476 892119176 /nfs/dbraw/zinc/11/91/76/892119176.db2.gz VFRMNXVMWJYABE-NSHDSACASA-N -1 0 282.256 -1.719 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](CO)C2)c(C#N)c1=O ZINC001458205839 892119255 /nfs/dbraw/zinc/11/92/55/892119255.db2.gz XOLSZXBFHTXZQV-SSDOTTSWSA-N -1 0 250.258 -1.236 20 30 CAEDRM Cn1c(=O)[n-]c(NCCS(=O)(=O)C2CC2)c(C#N)c1=O ZINC001458426937 892123480 /nfs/dbraw/zinc/12/34/80/892123480.db2.gz DKDYQQLEVYURKV-UHFFFAOYSA-N -1 0 298.324 -1.066 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](O)[C@H](CO)C2)c(C#N)c1=O ZINC001458437912 892123631 /nfs/dbraw/zinc/12/36/31/892123631.db2.gz BBDBTCRUACHHCW-IONNQARKSA-N -1 0 280.284 -1.875 20 30 CAEDRM CNC(=O)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001463704289 892171521 /nfs/dbraw/zinc/17/15/21/892171521.db2.gz AMJPEXRELFIKPG-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM COC(=O)CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001463766470 892171634 /nfs/dbraw/zinc/17/16/34/892171634.db2.gz DFRPUEJRLHOABI-UHFFFAOYSA-N -1 0 294.267 -1.110 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@H](O)C2)c(=O)[n-]c1=O ZINC001465722546 892208082 /nfs/dbraw/zinc/20/80/82/892208082.db2.gz YPAMFBOPAUUTBC-QMMMGPOBSA-N -1 0 264.241 -1.586 20 30 CAEDRM N#Cc1cn(CC(=O)NCC(=O)C2CC2)c(=O)[n-]c1=O ZINC001466353223 892224237 /nfs/dbraw/zinc/22/42/37/892224237.db2.gz BJXFYMBFCDWQIU-UHFFFAOYSA-N -1 0 276.252 -1.084 20 30 CAEDRM C#CCC[C@H](O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001467455235 892245598 /nfs/dbraw/zinc/24/55/98/892245598.db2.gz CIZNZIWDTNZPBB-JTQLQIEISA-N -1 0 290.279 -1.289 20 30 CAEDRM C=CCO[N-]C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001468109684 892265305 /nfs/dbraw/zinc/26/53/05/892265305.db2.gz SDOGDUJRRQKXMH-SSDOTTSWSA-N -1 0 254.250 -1.588 20 30 CAEDRM C=CCn1cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001469216561 892290321 /nfs/dbraw/zinc/29/03/21/892290321.db2.gz XOAUYACHWCCEAT-UHFFFAOYSA-N -1 0 279.260 -1.217 20 30 CAEDRM C=C[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001470411215 892316344 /nfs/dbraw/zinc/31/63/44/892316344.db2.gz YOQUPQPHCWBLRW-MRVPVSSYSA-N -1 0 264.241 -1.516 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2CCS(=O)(=O)C2)c(C#N)c1=O ZINC001472651994 892403679 /nfs/dbraw/zinc/40/36/79/892403679.db2.gz QPSXTJQPROPESC-ZCFIWIBFSA-N -1 0 284.297 -1.456 20 30 CAEDRM C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H](CO)O1 ZINC001472758543 892403925 /nfs/dbraw/zinc/40/39/25/892403925.db2.gz VXPFVYRYPJTXSD-JGVFFNPUSA-N -1 0 280.284 -1.469 20 30 CAEDRM CCNC(=O)[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472652218 892404370 /nfs/dbraw/zinc/40/43/70/892404370.db2.gz CLTNJVXLTHQXFW-ZCFIWIBFSA-N -1 0 265.273 -1.118 20 30 CAEDRM Cn1c(=O)[n-]c(NCCN2CCNC(=O)C2)c(C#N)c1=O ZINC001472753703 892404651 /nfs/dbraw/zinc/40/46/51/892404651.db2.gz KRPQPHSDIHOMAE-UHFFFAOYSA-N -1 0 292.299 -2.211 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H](CO)[C@H]2CCOC2)c(C#N)c1=O ZINC001472744830 892404673 /nfs/dbraw/zinc/40/46/73/892404673.db2.gz FOSSNKGTCSZNMC-IONNQARKSA-N -1 0 280.284 -1.245 20 30 CAEDRM CCCN(CC(=O)NC)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472702949 892404690 /nfs/dbraw/zinc/40/46/90/892404690.db2.gz BGOHOVVSYGNENH-UHFFFAOYSA-N -1 0 279.300 -1.092 20 30 CAEDRM CCNC(=O)[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472652217 892404909 /nfs/dbraw/zinc/40/49/09/892404909.db2.gz CLTNJVXLTHQXFW-LURJTMIESA-N -1 0 265.273 -1.118 20 30 CAEDRM CO[C@@H]1COC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472817067 892407438 /nfs/dbraw/zinc/40/74/38/892407438.db2.gz FZIBMWOZZZXAAY-HTQZYQBOSA-N -1 0 266.257 -1.229 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H](O)c2c[nH]cn2)c(C#N)c1=O ZINC001472875192 892407282 /nfs/dbraw/zinc/40/72/82/892407282.db2.gz HNJWODRZASORNW-QMMMGPOBSA-N -1 0 276.256 -1.186 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2C[C@H](S(C)(=O)=O)C2)c(C#N)c1=O ZINC001472861434 892408779 /nfs/dbraw/zinc/40/87/79/892408779.db2.gz FEBMHUZACVTILW-LJGSYFOKSA-N -1 0 298.324 -1.067 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H]2CCCNC2=O)c(C#N)c1=O ZINC001472801413 892408919 /nfs/dbraw/zinc/40/89/19/892408919.db2.gz YKJKZPWHNDSVMD-ZETCQYMHSA-N -1 0 277.284 -1.117 20 30 CAEDRM CS(=O)(=O)N1CC(Cn2c(=O)[n-]cc(C#N)c2=O)C1 ZINC001473047557 892411665 /nfs/dbraw/zinc/41/16/65/892411665.db2.gz ALANYNQXSRQIPS-UHFFFAOYSA-N -1 0 284.297 -1.700 20 30 CAEDRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cn1 ZINC001475744774 892449842 /nfs/dbraw/zinc/44/98/42/892449842.db2.gz FUWPICQKNDSCPA-UHFFFAOYSA-N -1 0 270.270 -1.091 20 30 CAEDRM N#CCN[C@H]1C[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001479410408 892474624 /nfs/dbraw/zinc/47/46/24/892474624.db2.gz FXZADDKHXQNMAO-ZKCHVHJHSA-N -1 0 280.288 -1.303 20 30 CAEDRM COCC#CCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001494485800 893439789 /nfs/dbraw/zinc/43/97/89/893439789.db2.gz GNEGVYCAOXPXDT-UHFFFAOYSA-N -1 0 295.299 -1.861 20 30 CAEDRM C[C@@H](CN(C)CC#N)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001498444177 893679338 /nfs/dbraw/zinc/67/93/38/893679338.db2.gz MOVOQKCSPXZTRF-ZETCQYMHSA-N -1 0 268.277 -1.351 20 30 CAEDRM CC#CCN1CC[C@@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001499109150 893705584 /nfs/dbraw/zinc/70/55/84/893705584.db2.gz XZYORMJVVPXXEE-SECBINFHSA-N -1 0 279.300 -1.097 20 30 CAEDRM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(CC#N)C1 ZINC001500280723 893736142 /nfs/dbraw/zinc/73/61/42/893736142.db2.gz JLVJXYGUOUXRQT-LLVKDONJSA-N -1 0 280.288 -1.207 20 30 CAEDRM C[C@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NCC#N ZINC001507147681 893961181 /nfs/dbraw/zinc/96/11/81/893961181.db2.gz KGUWHEGNKQEALU-SSDOTTSWSA-N -1 0 268.277 -1.351 20 30 CAEDRM COCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1 ZINC001515157927 894185657 /nfs/dbraw/zinc/18/56/57/894185657.db2.gz FACCISQYZCIYAG-ZETCQYMHSA-N -1 0 251.246 -1.100 20 30 CAEDRM COCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1 ZINC001515157918 894185841 /nfs/dbraw/zinc/18/58/41/894185841.db2.gz FACCISQYZCIYAG-SSDOTTSWSA-N -1 0 251.246 -1.100 20 30 CAEDRM CC(C)C#CC(=O)NCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001522622019 894243844 /nfs/dbraw/zinc/24/38/44/894243844.db2.gz CFGIGVDJBLSUOY-UHFFFAOYSA-N -1 0 295.299 -1.419 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)[N-]OC)C1=O ZINC001536984878 894444583 /nfs/dbraw/zinc/44/45/83/894444583.db2.gz QPHUOASRQAAKPS-UHFFFAOYSA-N -1 0 298.255 -2.243 20 30 CAEDRM CC(=O)NCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001540338169 894453339 /nfs/dbraw/zinc/45/33/39/894453339.db2.gz QLLOFTKFDWWNOK-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM CC(=O)NCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001540680955 894458411 /nfs/dbraw/zinc/45/84/11/894458411.db2.gz YWMJRKABLSSJFC-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM C[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001540695242 894459278 /nfs/dbraw/zinc/45/92/78/894459278.db2.gz SRLYMAZZLSLTJR-LURJTMIESA-N -1 0 252.230 -1.682 20 30 CAEDRM C[C@H](CCO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001546022013 894482996 /nfs/dbraw/zinc/48/29/96/894482996.db2.gz UDJKKVPMDUAMOJ-SSDOTTSWSA-N -1 0 266.257 -1.292 20 30 CAEDRM C=CCO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC001556633478 894582636 /nfs/dbraw/zinc/58/26/36/894582636.db2.gz HHFCZEZDLBIOSX-UHFFFAOYSA-N -1 0 274.302 -1.068 20 30 CAEDRM C#CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)OC ZINC001556970817 894590466 /nfs/dbraw/zinc/59/04/66/894590466.db2.gz JICKBEJYKVIEKA-SECBINFHSA-N -1 0 293.279 -1.392 20 30 CAEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001557327100 894597639 /nfs/dbraw/zinc/59/76/39/894597639.db2.gz XXMQKABHOMFACH-SFYZADRCSA-N -1 0 268.277 -1.200 20 30 CAEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001557325769 894598342 /nfs/dbraw/zinc/59/83/42/894598342.db2.gz IEAVCELAWVBTAO-RQJHMYQMSA-N -1 0 262.287 -1.478 20 30 CAEDRM C=C[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001557624187 894601707 /nfs/dbraw/zinc/60/17/07/894601707.db2.gz XNVVUBHKESPMRG-SECBINFHSA-N -1 0 278.268 -1.126 20 30 CAEDRM C=CCC1(O)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001558318348 894616243 /nfs/dbraw/zinc/61/62/43/894616243.db2.gz YQENVQXOCLLPBN-UHFFFAOYSA-N -1 0 290.279 -1.030 20 30 CAEDRM C#CC[C@@H](NC(=O)CNS(=O)(=O)CC)C(=O)[O-] ZINC001588405234 983420458 /nfs/dbraw/zinc/42/04/58/983420458.db2.gz KYDPZGZQSXIBTP-SSDOTTSWSA-N -1 0 262.287 -1.482 20 30 CAEDRM C#CC[C@H](NC(=O)CN1CCN(C)CC1)C(=O)[O-] ZINC001588405468 983421674 /nfs/dbraw/zinc/42/16/74/983421674.db2.gz PHBYNQSSMFIDQQ-JTQLQIEISA-N -1 0 253.302 -1.174 20 30 CAEDRM C=C[C@H](O)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588704119 983922934 /nfs/dbraw/zinc/92/29/34/983922934.db2.gz CANUCRUSKIZRQV-ZETCQYMHSA-N -1 0 277.298 -1.319 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)NC(=O)NC1CC1 ZINC000092482242 949153820 /nfs/dbraw/zinc/15/38/20/949153820.db2.gz FAQKSNIRTPVHOH-UHFFFAOYSA-N -1 0 253.258 -1.006 20 30 CAEDRM N#Cc1ncn(CCNC(=O)[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001611304617 970983538 /nfs/dbraw/zinc/98/35/38/970983538.db2.gz AJXYRNHLXADEDN-SSDOTTSWSA-N -1 0 278.228 -1.505 20 30 CAEDRM N#Cc1ncn(CCNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n1 ZINC001611304618 970983679 /nfs/dbraw/zinc/98/36/79/970983679.db2.gz AJXYRNHLXADEDN-ZETCQYMHSA-N -1 0 278.228 -1.505 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001602675257 971246497 /nfs/dbraw/zinc/24/64/97/971246497.db2.gz OHYHTSKUASBGNH-HTRCEHHLSA-N -1 0 268.225 -1.103 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncn(C)n1 ZINC001602678768 971256965 /nfs/dbraw/zinc/25/69/65/971256965.db2.gz FUCHADSAEASKFB-UHFFFAOYSA-N -1 0 265.229 -1.700 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncncc1OC ZINC001602678763 971256986 /nfs/dbraw/zinc/25/69/86/971256986.db2.gz FKXWJMVHVCRAFM-UHFFFAOYSA-N -1 0 292.251 -1.030 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001602679118 971258184 /nfs/dbraw/zinc/25/81/84/971258184.db2.gz KQGWXZQNFZNZGH-MRVPVSSYSA-N -1 0 276.314 -1.139 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)CC ZINC001602679119 971258293 /nfs/dbraw/zinc/25/82/93/971258293.db2.gz KQGWXZQNFZNZGH-QMMMGPOBSA-N -1 0 276.314 -1.139 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001602679834 971262326 /nfs/dbraw/zinc/26/23/26/971262326.db2.gz WOLRKGKXBCCLAO-QMMMGPOBSA-N -1 0 254.242 -1.610 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001602679833 971262493 /nfs/dbraw/zinc/26/24/93/971262493.db2.gz WOLRKGKXBCCLAO-MRVPVSSYSA-N -1 0 254.242 -1.610 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C[C@@H]1NC(=O)NC1=O ZINC001602684330 971279826 /nfs/dbraw/zinc/27/98/26/971279826.db2.gz WEMHIJVAZNEKMX-LURJTMIESA-N -1 0 253.214 -1.869 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001602684350 971280994 /nfs/dbraw/zinc/28/09/94/971280994.db2.gz XGKBLGHNHNKEOY-UHFFFAOYSA-N -1 0 267.201 -1.267 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCCc1nnnn1C ZINC001602685865 971283274 /nfs/dbraw/zinc/28/32/74/971283274.db2.gz ISYHKLMTXUMQCB-UHFFFAOYSA-N -1 0 280.288 -1.128 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001602685957 971283975 /nfs/dbraw/zinc/28/39/75/971283975.db2.gz LMKBGKGPYLKVLN-UHFFFAOYSA-N -1 0 294.267 -1.285 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCc1nnnn1C ZINC001602686229 971286395 /nfs/dbraw/zinc/28/63/95/971286395.db2.gz WIXPYAMFMRLUCK-UHFFFAOYSA-N -1 0 266.261 -1.518 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)c1cn(C(F)(F)CO)nn1 ZINC001602692190 971300690 /nfs/dbraw/zinc/30/06/90/971300690.db2.gz GWJAGYQHRHWRDU-UHFFFAOYSA-N -1 0 288.210 -1.020 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001602695706 971311203 /nfs/dbraw/zinc/31/12/03/971311203.db2.gz QLMBUGSHMPNYFX-VIFPVBQESA-N -1 0 269.301 -1.401 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](COC)OC ZINC001602699146 971315851 /nfs/dbraw/zinc/31/58/51/971315851.db2.gz KLPIIFHBZPLMMC-VIFPVBQESA-N -1 0 279.314 -1.003 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H](OC)C(=O)[O-])CC1 ZINC001602701905 971327887 /nfs/dbraw/zinc/32/78/87/971327887.db2.gz BZZLYJMLXBAMBP-NSHDSACASA-N -1 0 297.311 -2.020 20 30 CAEDRM C=C[C@](C)(O)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001602717561 971369351 /nfs/dbraw/zinc/36/93/51/971369351.db2.gz RIMXZTQYABIRAE-NSHDSACASA-N -1 0 256.258 -1.321 20 30 CAEDRM C=CC[C@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602718515 971374943 /nfs/dbraw/zinc/37/49/43/971374943.db2.gz ORGSVQUYHKDXEC-MRVPVSSYSA-N -1 0 296.283 -1.041 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C(=O)[O-])C2)C1=O ZINC001602722775 971389270 /nfs/dbraw/zinc/38/92/70/971389270.db2.gz NTLVQOWMPUCRCB-UHFFFAOYSA-N -1 0 295.251 -1.494 20 30 CAEDRM CC#CC[C@@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602734973 971414895 /nfs/dbraw/zinc/41/48/95/971414895.db2.gz GJXQQBOPDOHVIH-QMMMGPOBSA-N -1 0 266.257 -1.133 20 30 CAEDRM CC#CC[C@H](CO)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001602734972 971414740 /nfs/dbraw/zinc/41/47/40/971414740.db2.gz GJXQQBOPDOHVIH-MRVPVSSYSA-N -1 0 266.257 -1.133 20 30 CAEDRM CC#CC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573359247 947680978 /nfs/dbraw/zinc/68/09/78/947680978.db2.gz RPQYKQVGSNDVBP-UHFFFAOYSA-N -1 0 289.255 -1.732 20 30 CAEDRM CC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001602740512 971434797 /nfs/dbraw/zinc/43/47/97/971434797.db2.gz HGERCFMWCUOJDQ-UHFFFAOYSA-N -1 0 251.198 -1.445 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC001602779323 971516060 /nfs/dbraw/zinc/51/60/60/971516060.db2.gz WPBSDLAKXLGOSS-WDEREUQCSA-N -1 0 269.257 -1.560 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001602780413 971518639 /nfs/dbraw/zinc/51/86/39/971518639.db2.gz GGMYQKBCENOOEH-KJNMHVQDSA-N -1 0 279.252 -1.278 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000381333418 951207073 /nfs/dbraw/zinc/20/70/73/951207073.db2.gz ITEVSMZFMRIEMZ-MRVPVSSYSA-N -1 0 253.258 -1.054 20 30 CAEDRM CCOCC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001591765408 951223045 /nfs/dbraw/zinc/22/30/45/951223045.db2.gz VGRQQIQTDAHMHH-UHFFFAOYSA-N -1 0 295.251 -1.428 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCCCS(N)(=O)=O ZINC000389089339 951344203 /nfs/dbraw/zinc/34/42/03/951344203.db2.gz GHDXVKYWLCLAPZ-UHFFFAOYSA-N -1 0 291.329 -1.216 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000394099385 951446411 /nfs/dbraw/zinc/44/64/11/951446411.db2.gz RFMUNNSYDGXQMB-LLVKDONJSA-N -1 0 256.302 -1.301 20 30 CAEDRM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1=O ZINC001595154065 952155087 /nfs/dbraw/zinc/15/50/87/952155087.db2.gz CROUGRMRWNEBRQ-QMMMGPOBSA-N -1 0 295.251 -1.347 20 30 CAEDRM O=C([O-])C1=NO[C@@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC001594894112 954556987 /nfs/dbraw/zinc/55/69/87/954556987.db2.gz ZDCVXUWVRSNJTP-INEUFUBQSA-N -1 0 257.202 -1.678 20 30 CAEDRM COC(=O)CN(CC#N)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001593850590 955452475 /nfs/dbraw/zinc/45/24/75/955452475.db2.gz KBGUPPJMTSQAEW-MRVPVSSYSA-N -1 0 269.257 -1.330 20 30 CAEDRM C[C@H](CN(C)C(=O)NCC(=O)NCC#N)C(=O)[O-] ZINC001589023371 955491623 /nfs/dbraw/zinc/49/16/23/955491623.db2.gz HSYAPYZTWMFJMQ-SSDOTTSWSA-N -1 0 256.262 -1.012 20 30 CAEDRM C[C@@H](CN(C)C(=O)NCC(=O)NCC#N)C(=O)[O-] ZINC001589023375 955491680 /nfs/dbraw/zinc/49/16/80/955491680.db2.gz HSYAPYZTWMFJMQ-ZETCQYMHSA-N -1 0 256.262 -1.012 20 30 CAEDRM C[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)C(=O)[O-] ZINC001589036597 955552788 /nfs/dbraw/zinc/55/27/88/955552788.db2.gz CJKPDZNXEBGUKS-SECBINFHSA-N -1 0 296.327 -1.073 20 30 CAEDRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1CCN(O)C1=O ZINC001594564789 955832105 /nfs/dbraw/zinc/83/21/05/955832105.db2.gz FVLBBUFXWHENEP-RXMQYKEDSA-N -1 0 268.229 -1.162 20 30 CAEDRM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CCN(O)C1=O ZINC001594564790 955832561 /nfs/dbraw/zinc/83/25/61/955832561.db2.gz FVLBBUFXWHENEP-YFKPBYRVSA-N -1 0 268.229 -1.162 20 30 CAEDRM Cn1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC001594596140 956089246 /nfs/dbraw/zinc/08/92/46/956089246.db2.gz DANHIBIIMPMNKX-SECBINFHSA-N -1 0 252.234 -1.169 20 30 CAEDRM Cn1ncnc1C1(O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1 ZINC001594599446 956120599 /nfs/dbraw/zinc/12/05/99/956120599.db2.gz WHHVCKWKYYLCGI-LLVKDONJSA-N -1 0 293.283 -1.151 20 30 CAEDRM N#C[C@]1(F)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001594601365 956133850 /nfs/dbraw/zinc/13/38/50/956133850.db2.gz BETXBGORBNSQCF-PRHODGIISA-N -1 0 299.258 -1.237 20 30 CAEDRM N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001594601362 956134483 /nfs/dbraw/zinc/13/44/83/956134483.db2.gz BETXBGORBNSQCF-PELKAZGASA-N -1 0 299.258 -1.237 20 30 CAEDRM N#C[C@@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594601938 956140171 /nfs/dbraw/zinc/14/01/71/956140171.db2.gz SMPLGHBXPQESOR-ZETCQYMHSA-N -1 0 265.225 -1.453 20 30 CAEDRM N#C[C@H](CO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594601927 956140665 /nfs/dbraw/zinc/14/06/65/956140665.db2.gz SMPLGHBXPQESOR-SSDOTTSWSA-N -1 0 265.225 -1.453 20 30 CAEDRM N#C[C@H](CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594602074 956142014 /nfs/dbraw/zinc/14/20/14/956142014.db2.gz UDHYZWGQRGZTAZ-SFYZADRCSA-N -1 0 269.257 -1.690 20 30 CAEDRM N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001594605337 956164485 /nfs/dbraw/zinc/16/44/85/956164485.db2.gz BKFRCIKCHFXMDX-RKDXNWHRSA-N -1 0 281.268 -1.330 20 30 CAEDRM N#C[C@H]1CN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001594605957 956174504 /nfs/dbraw/zinc/17/45/04/956174504.db2.gz NDPCTAZGGBBOMA-YIZRAAEISA-N -1 0 289.313 -1.092 20 30 CAEDRM N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001594606239 956179822 /nfs/dbraw/zinc/17/98/22/956179822.db2.gz SQDSYJITRSYEAL-RKDXNWHRSA-N -1 0 289.313 -1.138 20 30 CAEDRM N#CCNC(=O)CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001594609585 956192850 /nfs/dbraw/zinc/19/28/50/956192850.db2.gz FCRJCJMSXIHHDN-UHFFFAOYSA-N -1 0 269.257 -1.376 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC(=O)N2CCC2)c1=O ZINC001594633085 956357005 /nfs/dbraw/zinc/35/70/05/956357005.db2.gz MOIVTHBCUTWHMO-UHFFFAOYSA-N -1 0 292.251 -1.801 20 30 CAEDRM COC[C@@]1(C(=O)[O-])CN(C(=O)NCC#CCO)CCO1 ZINC001593971021 956616387 /nfs/dbraw/zinc/61/63/87/956616387.db2.gz NJGWOTZOWUDYQK-GFCCVEGCSA-N -1 0 286.284 -1.506 20 30 CAEDRM COCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(N)=O ZINC001593990780 956841885 /nfs/dbraw/zinc/84/18/85/956841885.db2.gz PGEDQHFFRQVWKZ-CPCISQLKSA-N -1 0 271.273 -1.002 20 30 CAEDRM COCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(N)=O ZINC001593990783 956842787 /nfs/dbraw/zinc/84/27/87/956842787.db2.gz PGEDQHFFRQVWKZ-WRWORJQWSA-N -1 0 271.273 -1.002 20 30 CAEDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCN(O)C2=O)[nH]n1 ZINC001594734580 957057389 /nfs/dbraw/zinc/05/73/89/957057389.db2.gz DDHZRBJPGDSLRC-SCSAIBSYSA-N -1 0 254.202 -1.172 20 30 CAEDRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001603144621 972240204 /nfs/dbraw/zinc/24/02/04/972240204.db2.gz CUKDZIGJMWDBNK-BDAKNGLRSA-N -1 0 283.284 -1.084 20 30 CAEDRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001603144622 972240229 /nfs/dbraw/zinc/24/02/29/972240229.db2.gz CUKDZIGJMWDBNK-DTWKUNHWSA-N -1 0 283.284 -1.084 20 30 CAEDRM CC(=O)N[C@@H](CSCC(=O)NCC#N)C(=O)[O-] ZINC000069555373 957652364 /nfs/dbraw/zinc/65/23/64/957652364.db2.gz YRWFANIKNGPXDL-ZETCQYMHSA-N -1 0 259.287 -1.051 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000071246642 957712670 /nfs/dbraw/zinc/71/26/70/957712670.db2.gz LEYIUYPGXSSJKX-MRVPVSSYSA-N -1 0 298.299 -1.727 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071246631 957713032 /nfs/dbraw/zinc/71/30/32/957713032.db2.gz LEYIUYPGXSSJKX-QMMMGPOBSA-N -1 0 298.299 -1.727 20 30 CAEDRM C#CC[C@@H](CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001588388526 957995584 /nfs/dbraw/zinc/99/55/84/957995584.db2.gz BWGNEWJVJGWAKQ-VHSXEESVSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@@H](COC)NC(=O)C(=O)NCCC(=O)[O-] ZINC001588389144 958005901 /nfs/dbraw/zinc/00/59/01/958005901.db2.gz OJAKDBVFUYHENG-QMMMGPOBSA-N -1 0 256.258 -1.268 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588389386 958007191 /nfs/dbraw/zinc/00/71/91/958007191.db2.gz UFCOQVVRJKBGKW-NXEZZACHSA-N -1 0 296.279 -1.841 20 30 CAEDRM C#CCCn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001588395127 958037776 /nfs/dbraw/zinc/03/77/76/958037776.db2.gz COSHCULLCLNSLQ-MRVPVSSYSA-N -1 0 251.246 -1.014 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC001588397785 958064085 /nfs/dbraw/zinc/06/40/85/958064085.db2.gz UNQOQXHMDMLMHD-JTQLQIEISA-N -1 0 265.269 -1.130 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@]1(OC)CCS(=O)(=O)C1 ZINC001588398884 958069120 /nfs/dbraw/zinc/06/91/20/958069120.db2.gz DEDVBKFTIIXSRB-NSHDSACASA-N -1 0 289.309 -1.264 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001588399038 958069383 /nfs/dbraw/zinc/06/93/83/958069383.db2.gz FZUVXROFBVQGBK-ZETCQYMHSA-N -1 0 260.271 -1.776 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001588399233 958070669 /nfs/dbraw/zinc/07/06/69/958070669.db2.gz HNSUWKAOAIJRNH-SNVBAGLBSA-N -1 0 268.269 -1.220 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C1(S(N)(=O)=O)CC1 ZINC001588399099 958070786 /nfs/dbraw/zinc/07/07/86/958070786.db2.gz GNFMMQOTUNQTLB-UHFFFAOYSA-N -1 0 260.271 -1.646 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C1=CCS(=O)(=O)C1 ZINC001588400000 958078101 /nfs/dbraw/zinc/07/81/01/958078101.db2.gz QJQVFGBMDGOYFM-UHFFFAOYSA-N -1 0 257.267 -1.112 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CCn1ncn(C)c1=O ZINC001588401809 958085056 /nfs/dbraw/zinc/08/50/56/958085056.db2.gz DBYQDSCYVWAQIB-UHFFFAOYSA-N -1 0 266.257 -1.482 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1CC(=O)NC1=O ZINC001588402011 958087452 /nfs/dbraw/zinc/08/74/52/958087452.db2.gz IYWWCTSXVWHDDU-UHFFFAOYSA-N -1 0 253.214 -1.915 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC001588402315 958090758 /nfs/dbraw/zinc/09/07/58/958090758.db2.gz RAJRSZXDOSYSGA-UHFFFAOYSA-N -1 0 291.329 -1.729 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1ncn(C)c1=O ZINC001588406577 958095073 /nfs/dbraw/zinc/09/50/73/958095073.db2.gz APECQHVJBDPFLJ-UHFFFAOYSA-N -1 0 252.230 -1.872 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CS(=O)(=O)N(C)C ZINC001588407659 958101555 /nfs/dbraw/zinc/10/15/55/958101555.db2.gz SZXRYGDZFKYPBG-UHFFFAOYSA-N -1 0 262.287 -1.576 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCN1CCNC1=O ZINC001588408473 958111311 /nfs/dbraw/zinc/11/13/11/958111311.db2.gz OJLGROOEKURYLN-UHFFFAOYSA-N -1 0 268.273 -1.259 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCn1cnc(C#N)n1 ZINC001588409509 958127497 /nfs/dbraw/zinc/12/74/97/958127497.db2.gz YFNUUPXUODABAW-UHFFFAOYSA-N -1 0 276.256 -1.121 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC001588417437 958172428 /nfs/dbraw/zinc/17/24/28/958172428.db2.gz OJFOHLYXMJDIEG-UHFFFAOYSA-N -1 0 266.213 -1.370 20 30 CAEDRM C#CCN(CC(=O)[O-])Cc1nnc2c(=O)n(C)ccn12 ZINC001588425407 958225069 /nfs/dbraw/zinc/22/50/69/958225069.db2.gz RFMZZDFLXOJCHS-UHFFFAOYSA-N -1 0 275.268 -1.052 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N1CCCOCC1 ZINC001588425477 958226209 /nfs/dbraw/zinc/22/62/09/958226209.db2.gz UMLNPTOWSWSFPP-UHFFFAOYSA-N -1 0 276.314 -1.027 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1Cc1cnn(C)c1 ZINC001588426744 958232174 /nfs/dbraw/zinc/23/21/74/958232174.db2.gz AUGOTDJPFPIMNR-UHFFFAOYSA-N -1 0 275.272 -1.021 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1CCC(=O)N(C)C1 ZINC001588426905 958235673 /nfs/dbraw/zinc/23/56/73/958235673.db2.gz GIQAMIHHBGEPIP-SECBINFHSA-N -1 0 292.299 -1.009 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnc(CO)n1CCOC ZINC001588426960 958236398 /nfs/dbraw/zinc/23/63/98/958236398.db2.gz IBLFOKLSQPKYES-UHFFFAOYSA-N -1 0 268.273 -1.059 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1COCCO1 ZINC001588427491 958248425 /nfs/dbraw/zinc/24/84/25/958248425.db2.gz ZQDINOPZGFOHFJ-SECBINFHSA-N -1 0 281.272 -1.387 20 30 CAEDRM C#CCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588430203 958252518 /nfs/dbraw/zinc/25/25/18/958252518.db2.gz JUCATRQPTOPOCW-QMMMGPOBSA-N -1 0 274.298 -2.081 20 30 CAEDRM C#CCOCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588430297 958252568 /nfs/dbraw/zinc/25/25/68/958252568.db2.gz AFYCIZZJXAOELZ-VIFPVBQESA-N -1 0 289.309 -1.264 20 30 CAEDRM C#CCN(CCCN1C(=O)CNC1=O)CC(=O)[O-] ZINC001588432248 958278444 /nfs/dbraw/zinc/27/84/44/958278444.db2.gz GXGFGLLRXPSFHG-UHFFFAOYSA-N -1 0 253.258 -1.052 20 30 CAEDRM C#CCN(CCN1C(=O)N[C@@H](C)C1=O)CC(=O)[O-] ZINC001588432396 958284426 /nfs/dbraw/zinc/28/44/26/958284426.db2.gz QGFQKRNLFMALPH-QMMMGPOBSA-N -1 0 253.258 -1.054 20 30 CAEDRM C#CCN(CCN1C(=O)N[C@H](C)C1=O)CC(=O)[O-] ZINC001588432395 958284637 /nfs/dbraw/zinc/28/46/37/958284637.db2.gz QGFQKRNLFMALPH-MRVPVSSYSA-N -1 0 253.258 -1.054 20 30 CAEDRM C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588451109 958404529 /nfs/dbraw/zinc/40/45/29/958404529.db2.gz MUHZSIQIDSFVTQ-RKDXNWHRSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588451106 958404742 /nfs/dbraw/zinc/40/47/42/958404742.db2.gz MUHZSIQIDSFVTQ-BDAKNGLRSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588451107 958404917 /nfs/dbraw/zinc/40/49/17/958404917.db2.gz MUHZSIQIDSFVTQ-DTWKUNHWSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=C[C@@H](O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001588453302 958434929 /nfs/dbraw/zinc/43/49/29/958434929.db2.gz WYNQMYXIQZOPAL-VXNVDRBHSA-N -1 0 258.274 -1.029 20 30 CAEDRM C=C[C@H](O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC001588453299 958435161 /nfs/dbraw/zinc/43/51/61/958435161.db2.gz WYNQMYXIQZOPAL-CBAPKCEASA-N -1 0 258.274 -1.029 20 30 CAEDRM C=C[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588453273 958435336 /nfs/dbraw/zinc/43/53/36/958435336.db2.gz WNIZOFNFAGAWTN-BQBZGAKWSA-N -1 0 263.271 -1.757 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001573319614 958474007 /nfs/dbraw/zinc/47/40/07/958474007.db2.gz DSEHVKOYZWWSGG-HTQZYQBOSA-N -1 0 263.271 -1.904 20 30 CAEDRM C=CCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588465397 958501792 /nfs/dbraw/zinc/50/17/92/958501792.db2.gz IANAYJZNIPCRBJ-QMMMGPOBSA-N -1 0 276.314 -1.528 20 30 CAEDRM C=C(CO)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573329173 958506983 /nfs/dbraw/zinc/50/69/83/958506983.db2.gz AIHHHLYKGRUNKZ-SSDOTTSWSA-N -1 0 263.271 -1.755 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001573337476 958524149 /nfs/dbraw/zinc/52/41/49/958524149.db2.gz OKNGIOMSPGEZFP-MRVPVSSYSA-N -1 0 290.297 -1.067 20 30 CAEDRM C#CCNC(=O)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000124806992 958544934 /nfs/dbraw/zinc/54/49/34/958544934.db2.gz NQACRNOSQHIAJU-SECBINFHSA-N -1 0 288.325 -1.691 20 30 CAEDRM C=CCn1nnnc1N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588474450 958556915 /nfs/dbraw/zinc/55/69/15/958556915.db2.gz JYCQWULXEHVWQF-UHFFFAOYSA-N -1 0 266.261 -1.408 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001573359849 958587917 /nfs/dbraw/zinc/58/79/17/958587917.db2.gz KRHIHUYJCJEKOC-VAOFZXAKSA-N -1 0 256.258 -1.197 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001573359843 958588322 /nfs/dbraw/zinc/58/83/22/958588322.db2.gz KOHFQBVREQTWMR-NSHDSACASA-N -1 0 283.284 -1.170 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001573359847 958588692 /nfs/dbraw/zinc/58/86/92/958588692.db2.gz KRHIHUYJCJEKOC-DKCNOQQISA-N -1 0 256.258 -1.197 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001573364589 958615504 /nfs/dbraw/zinc/61/55/04/958615504.db2.gz PMILQSJOBJLQON-GMSGAONNSA-N -1 0 292.313 -1.487 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001573364594 958616166 /nfs/dbraw/zinc/61/61/66/958616166.db2.gz PMILQSJOBJLQON-XVKPBYJWSA-N -1 0 292.313 -1.487 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cn1ccnn1 ZINC001573365528 958622158 /nfs/dbraw/zinc/62/21/58/958622158.db2.gz WAMBPFWNPRVVHA-GZMMTYOYSA-N -1 0 281.272 -1.240 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000132195235 958775707 /nfs/dbraw/zinc/77/57/07/958775707.db2.gz AYTPLHSLVMHIEE-HTQZYQBOSA-N -1 0 271.273 -1.482 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001588538691 958943973 /nfs/dbraw/zinc/94/39/73/958943973.db2.gz MPQXYLAHEPMRCC-ZWNOBZJWSA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@H](C#N)CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588543972 958984804 /nfs/dbraw/zinc/98/48/04/958984804.db2.gz XHDDDLFNCCBOKV-BDAKNGLRSA-N -1 0 283.284 -1.084 20 30 CAEDRM C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588543976 958985106 /nfs/dbraw/zinc/98/51/06/958985106.db2.gz XHDDDLFNCCBOKV-IUCAKERBSA-N -1 0 283.284 -1.084 20 30 CAEDRM C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588543974 958985361 /nfs/dbraw/zinc/98/53/61/958985361.db2.gz XHDDDLFNCCBOKV-DTWKUNHWSA-N -1 0 283.284 -1.084 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000149708295 959024238 /nfs/dbraw/zinc/02/42/38/959024238.db2.gz OWNSMHIBOICINY-QMMMGPOBSA-N -1 0 279.252 -1.860 20 30 CAEDRM C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000149846242 959028365 /nfs/dbraw/zinc/02/83/65/959028365.db2.gz GZRSLFDSDZUHMG-QMMMGPOBSA-N -1 0 299.308 -1.121 20 30 CAEDRM C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)[O-] ZINC000149846425 959028791 /nfs/dbraw/zinc/02/87/91/959028791.db2.gz GZRSLFDSDZUHMG-MRVPVSSYSA-N -1 0 299.308 -1.121 20 30 CAEDRM C#CC[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000149912752 959031145 /nfs/dbraw/zinc/03/11/45/959031145.db2.gz HMQWMLZXFQYJHZ-SSDOTTSWSA-N -1 0 267.241 -1.527 20 30 CAEDRM C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])n1cnc(C#N)n1 ZINC001588553070 959040990 /nfs/dbraw/zinc/04/09/90/959040990.db2.gz BZGZPRZRSALEAA-WKEGUHRASA-N -1 0 267.245 -1.337 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000161253018 959178045 /nfs/dbraw/zinc/17/80/45/959178045.db2.gz SVFFAKPTBGLXHQ-ZETCQYMHSA-N -1 0 283.327 -1.573 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000161253148 959178398 /nfs/dbraw/zinc/17/83/98/959178398.db2.gz SVFFAKPTBGLXHQ-SSDOTTSWSA-N -1 0 283.327 -1.573 20 30 CAEDRM C[C@](O)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001603262679 972447563 /nfs/dbraw/zinc/44/75/63/972447563.db2.gz AMNVUOHYKYNMJD-APPZFPTMSA-N -1 0 293.301 -2.119 20 30 CAEDRM N#Cc1ncn(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC001571036449 960539596 /nfs/dbraw/zinc/53/95/96/960539596.db2.gz YSWSVEMMYBIEOL-MRVPVSSYSA-N -1 0 289.255 -1.315 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001571040934 960570499 /nfs/dbraw/zinc/57/04/99/960570499.db2.gz SCRGRTHHULOXSU-PSASIEDQSA-N -1 0 291.329 -1.013 20 30 CAEDRM Cc1c(C#N)c(=O)n(CC(=O)NCC(=O)[O-])c(=O)n1C ZINC001574299128 960720410 /nfs/dbraw/zinc/72/04/10/960720410.db2.gz ZDRRRFQYTBJKRF-UHFFFAOYSA-N -1 0 280.240 -2.072 20 30 CAEDRM N#C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001571066249 960830208 /nfs/dbraw/zinc/83/02/08/960830208.db2.gz HYGMMIVTJFCZBT-VIFPVBQESA-N -1 0 298.299 -1.099 20 30 CAEDRM COCC(COC)NN=Cc1cn(CC(=O)[O-])nn1 ZINC001329194584 961243952 /nfs/dbraw/zinc/24/39/52/961243952.db2.gz CIJWUXJKEQWPCO-UHFFFAOYSA-N -1 0 271.277 -1.052 20 30 CAEDRM N#CC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001574479508 961650125 /nfs/dbraw/zinc/65/01/25/961650125.db2.gz ITJIFYAVVYUUGC-SFYZADRCSA-N -1 0 262.287 -1.555 20 30 CAEDRM N#CCC1(O)CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001574480254 961660238 /nfs/dbraw/zinc/66/02/38/961660238.db2.gz CUEQPSOOJNOBGZ-QMMMGPOBSA-N -1 0 289.313 -1.259 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574480478 961664265 /nfs/dbraw/zinc/66/42/65/961664265.db2.gz KDIGXWAUIRLHCG-ZETCQYMHSA-N -1 0 265.229 -1.273 20 30 CAEDRM N#CCC1(O)CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1 ZINC001574481069 961669789 /nfs/dbraw/zinc/66/97/89/961669789.db2.gz UHMYIVGJGPYPLI-ZETCQYMHSA-N -1 0 253.214 -1.297 20 30 CAEDRM COC(=O)C1(C#N)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001574045113 962095914 /nfs/dbraw/zinc/09/59/14/962095914.db2.gz BQMDVCSLHOGYCK-UHFFFAOYSA-N -1 0 283.284 -1.034 20 30 CAEDRM C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC001573311069 962692557 /nfs/dbraw/zinc/69/25/57/962692557.db2.gz HJXNOECSHZNMJL-JTQLQIEISA-N -1 0 296.327 -1.464 20 30 CAEDRM C#CCNC(=O)CN1CC(O)(CNC(=O)CNC(=O)[O-])C1 ZINC001573311155 962695534 /nfs/dbraw/zinc/69/55/34/962695534.db2.gz IIADHINZCZLKFH-UHFFFAOYSA-N -1 0 298.299 -2.834 20 30 CAEDRM C#CCOCCC(=O)NCC1CN(C(=O)CNC(=O)[O-])C1 ZINC001573311361 962699533 /nfs/dbraw/zinc/69/95/33/962699533.db2.gz NIEMIFVWMHNIMK-UHFFFAOYSA-N -1 0 297.311 -1.132 20 30 CAEDRM C#CCOCCC(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001573311388 962701001 /nfs/dbraw/zinc/70/10/01/962701001.db2.gz ODXYSTXNSVXWHD-UWVGGRQHSA-N -1 0 282.296 -1.021 20 30 CAEDRM C#CCOCCC(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001573311387 962701040 /nfs/dbraw/zinc/70/10/40/962701040.db2.gz ODXYSTXNSVXWHD-NXEZZACHSA-N -1 0 282.296 -1.021 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@]1(CO)COCCN1 ZINC001573331967 962819980 /nfs/dbraw/zinc/81/99/80/962819980.db2.gz BRCMBVCTUVQSLA-GFCCVEGCSA-N -1 0 272.301 -1.126 20 30 CAEDRM C=CCCC(=O)N1C[C@@H](NC(=O)CNC(=O)[O-])[C@@H](O)C1 ZINC001573353109 962997846 /nfs/dbraw/zinc/99/78/46/962997846.db2.gz PCGNNIBUONEMLW-BDAKNGLRSA-N -1 0 285.300 -1.092 20 30 CAEDRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC#N)C(=O)[O-] ZINC001570976105 963055048 /nfs/dbraw/zinc/05/50/48/963055048.db2.gz BYOYNNWOOPUIDO-IMTBSYHQSA-N -1 0 260.271 -1.096 20 30 CAEDRM C=CCNC(=O)[C@H](C)N1CC(CNC(=O)CNC(=O)[O-])C1 ZINC001573368817 963085605 /nfs/dbraw/zinc/08/56/05/963085605.db2.gz SAOOYJOSEPHJIT-VIFPVBQESA-N -1 0 298.343 -1.007 20 30 CAEDRM C=CCOCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573369100 963093268 /nfs/dbraw/zinc/09/32/68/963093268.db2.gz OLWDOPMYTYSGTE-QMMMGPOBSA-N -1 0 277.298 -1.101 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[O-] ZINC001573369442 963097049 /nfs/dbraw/zinc/09/70/49/963097049.db2.gz SWIHEAGLTAKHNT-CSMHCCOUSA-N -1 0 256.258 -1.120 20 30 CAEDRM C=CCOC[C@H](NC(=O)CCn1cnnn1)C(=O)[O-] ZINC001573369770 963101221 /nfs/dbraw/zinc/10/12/21/963101221.db2.gz ZVPKRVAHZJLMBZ-QMMMGPOBSA-N -1 0 269.261 -1.165 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001571010571 963284186 /nfs/dbraw/zinc/28/41/86/963284186.db2.gz XWCXCLNRIBVWDQ-VIFPVBQESA-N -1 0 279.318 -1.108 20 30 CAEDRM C#CCCN1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001588448094 964093060 /nfs/dbraw/zinc/09/30/60/964093060.db2.gz WXZLWHOBZQGPDZ-ZJUUUORDSA-N -1 0 266.297 -1.107 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001609162382 970421316 /nfs/dbraw/zinc/42/13/16/970421316.db2.gz YUQMSYQKIMXVFX-SECBINFHSA-N -1 0 268.269 -1.315 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609623856 970423631 /nfs/dbraw/zinc/42/36/31/970423631.db2.gz KIDPIUZTFJBRSR-UHFFFAOYSA-N -1 0 256.258 -1.315 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609623970 970424254 /nfs/dbraw/zinc/42/42/54/970424254.db2.gz PYHCCWHEDDYFKY-SECBINFHSA-N -1 0 268.269 -1.220 20 30 CAEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC001609623936 970424628 /nfs/dbraw/zinc/42/46/28/970424628.db2.gz NTOOABDGIIVPCG-NSHDSACASA-N -1 0 295.339 -1.009 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001609696338 970457066 /nfs/dbraw/zinc/45/70/66/970457066.db2.gz PBUARWLKTHTZKG-CBAPKCEASA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001609696337 970457607 /nfs/dbraw/zinc/45/76/07/970457607.db2.gz PBUARWLKTHTZKG-APPZFPTMSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@H](C(=O)OCC(=O)NCC(=O)[O-])n1cnc(C#N)n1 ZINC001609744360 970513135 /nfs/dbraw/zinc/51/31/35/970513135.db2.gz XZLIBXFMBMJALF-ZCFIWIBFSA-N -1 0 281.228 -1.545 20 30 CAEDRM C=CCNC(=O)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000393812064 972643230 /nfs/dbraw/zinc/64/32/30/972643230.db2.gz MFAREVVTBLSMOF-UHFFFAOYSA-N -1 0 288.285 -1.312 20 30 CAEDRM COCC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001604504974 973430506 /nfs/dbraw/zinc/43/05/06/973430506.db2.gz LASDSSBUOMMHMO-UHFFFAOYSA-N -1 0 281.224 -1.818 20 30 CAEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC(=O)NCC#N)C1 ZINC001604533399 973492271 /nfs/dbraw/zinc/49/22/71/973492271.db2.gz LTIYTWIMFSUFHE-GFCCVEGCSA-N -1 0 298.299 -1.241 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000401914221 973528795 /nfs/dbraw/zinc/52/87/95/973528795.db2.gz ZHUIJUZMXJJCJS-RKDXNWHRSA-N -1 0 285.300 -1.234 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000401914218 973529469 /nfs/dbraw/zinc/52/94/69/973529469.db2.gz ZHUIJUZMXJJCJS-BDAKNGLRSA-N -1 0 285.300 -1.234 20 30 CAEDRM O=C([O-])Cn1cc(C(=O)N[C@H]2CCCN(O)C2=O)nn1 ZINC001606326457 973752999 /nfs/dbraw/zinc/75/29/99/973752999.db2.gz ODTVGQLUZIXJAJ-LURJTMIESA-N -1 0 283.244 -1.527 20 30 CAEDRM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCCN(O)C2=O)nn1 ZINC001606326460 973753172 /nfs/dbraw/zinc/75/31/72/973753172.db2.gz ODTVGQLUZIXJAJ-ZCFIWIBFSA-N -1 0 283.244 -1.527 20 30 CAEDRM N#CCC1(O)CN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001605581882 973862471 /nfs/dbraw/zinc/86/24/71/973862471.db2.gz NXXSKSIAWRKZMK-QMMMGPOBSA-N -1 0 253.258 -1.368 20 30 CAEDRM N#CCNC(=O)CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001605585909 973878629 /nfs/dbraw/zinc/87/86/29/973878629.db2.gz LSPUGRCJHXJKIZ-LURJTMIESA-N -1 0 254.202 -2.028 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(Cc2cnsn2)c1=O ZINC001605623067 973947857 /nfs/dbraw/zinc/94/78/57/973947857.db2.gz STWMKAVWALJUQX-UHFFFAOYSA-N -1 0 293.264 -1.134 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC(=O)C2CC2)c1=O ZINC001605623139 973948861 /nfs/dbraw/zinc/94/88/61/973948861.db2.gz XSABWFFEPFBFDR-UHFFFAOYSA-N -1 0 277.236 -1.055 20 30 CAEDRM CN(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001604040476 974563883 /nfs/dbraw/zinc/56/38/83/974563883.db2.gz CGGLGDBBLITPBO-UHFFFAOYSA-N -1 0 280.240 -1.946 20 30 CAEDRM CN(C)C[C@@](C)(C#N)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001604057481 974588889 /nfs/dbraw/zinc/58/88/89/974588889.db2.gz DBJMQGBDRCWVAU-LLVKDONJSA-N -1 0 280.288 -1.064 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592221981 977404183 /nfs/dbraw/zinc/40/41/83/977404183.db2.gz QOGCLYMZAGBFRZ-SSDOTTSWSA-N -1 0 277.302 -1.404 20 30 CAEDRM C[C@@](CO)(NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001592750700 979314273 /nfs/dbraw/zinc/31/42/73/979314273.db2.gz OAIKRRKPBJGFBX-APPZFPTMSA-N -1 0 293.301 -2.119 20 30 CAEDRM C[C@H](CS(=O)(=O)N1CC(O)(CC#N)C1)C(=O)[O-] ZINC001592789058 979431378 /nfs/dbraw/zinc/43/13/78/979431378.db2.gz CVOYUMZMPWGEAO-SSDOTTSWSA-N -1 0 262.287 -1.003 20 30 CAEDRM CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001595306985 980463130 /nfs/dbraw/zinc/46/31/30/980463130.db2.gz RUYOECVSOMOQHY-YUMQZZPRSA-N -1 0 277.302 -1.092 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])nc1 ZINC001574250184 983203233 /nfs/dbraw/zinc/20/32/33/983203233.db2.gz UETYGOZMYGLCAR-ZETCQYMHSA-N -1 0 271.254 -1.323 20 30 CAEDRM C#C[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCCO1 ZINC001588370786 983322085 /nfs/dbraw/zinc/32/20/85/983322085.db2.gz NIPBUNCWWKSBNY-YIZRAAEISA-N -1 0 286.259 -1.178 20 30 CAEDRM C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001588371030 983323893 /nfs/dbraw/zinc/32/38/93/983323893.db2.gz UNMKEOXFWBXCSU-MRVPVSSYSA-N -1 0 272.282 -1.004 20 30 CAEDRM C#CC1(O)CN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1 ZINC001588380021 983366853 /nfs/dbraw/zinc/36/68/53/983366853.db2.gz YEWNBAMUAIUERF-YUMQZZPRSA-N -1 0 283.284 -1.646 20 30 CAEDRM C#CC1(O)CN(S(=O)(=O)N(C)CCC(=O)[O-])C1 ZINC001588382081 983368718 /nfs/dbraw/zinc/36/87/18/983368718.db2.gz FYULYUPGCVWDJO-UHFFFAOYSA-N -1 0 262.287 -1.682 20 30 CAEDRM C#CC1CCN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)CC1 ZINC001588382977 983376403 /nfs/dbraw/zinc/37/64/03/983376403.db2.gz LSFMQPAJXSVSDX-UHFFFAOYSA-N -1 0 280.280 -1.484 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001588383804 983384498 /nfs/dbraw/zinc/38/44/98/983384498.db2.gz LDGYIIGTGABMQV-OPRDCNLKSA-N -1 0 280.280 -1.316 20 30 CAEDRM C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001588393297 983397234 /nfs/dbraw/zinc/39/72/34/983397234.db2.gz FIKHOAXMXBDZPL-ZCFIWIBFSA-N -1 0 273.270 -1.230 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@H](O)CC(=O)OCC)C(=O)[O-] ZINC001588398000 983409949 /nfs/dbraw/zinc/40/99/49/983409949.db2.gz APLURSVHHAOHLN-HTQZYQBOSA-N -1 0 257.242 -1.107 20 30 CAEDRM C#CC[C@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)[O-] ZINC001588398115 983411284 /nfs/dbraw/zinc/41/12/84/983411284.db2.gz DBXJWJVFVUMXJH-VIFPVBQESA-N -1 0 290.283 -1.010 20 30 CAEDRM C#CC[C@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001588398793 983414140 /nfs/dbraw/zinc/41/41/40/983414140.db2.gz MUFILLMYVGTUOM-LURJTMIESA-N -1 0 260.271 -1.600 20 30 CAEDRM C#CC[C@H](NC(=O)C1=CCS(=O)(=O)C1)C(=O)[O-] ZINC001588399318 983415457 /nfs/dbraw/zinc/41/54/57/983415457.db2.gz UAORDSROKVDNSW-QMMMGPOBSA-N -1 0 257.267 -1.066 20 30 CAEDRM C#CC[C@@H](NC(=O)CN(C)C(=O)COC)C(=O)[O-] ZINC001588404360 983417563 /nfs/dbraw/zinc/41/75/63/983417563.db2.gz AMCLEHVFGJNXKT-MRVPVSSYSA-N -1 0 256.258 -1.316 20 30 CAEDRM C#CC[C@@H](NC(=O)COCc1nncn1C)C(=O)[O-] ZINC001588404487 983417989 /nfs/dbraw/zinc/41/79/89/983417989.db2.gz CGGKPTPABJLVIG-MRVPVSSYSA-N -1 0 266.257 -1.076 20 30 CAEDRM C#CC[C@@H](NC(=O)CCn1ncn(C)c1=O)C(=O)[O-] ZINC001588404923 983419435 /nfs/dbraw/zinc/41/94/35/983419435.db2.gz IHMKBWQLFKUVMR-MRVPVSSYSA-N -1 0 266.257 -1.435 20 30 CAEDRM C#CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001588404999 983420010 /nfs/dbraw/zinc/42/00/10/983420010.db2.gz JKELNNSYNXMYOH-MRVPVSSYSA-N -1 0 279.252 -1.481 20 30 CAEDRM C#CC[C@H](NC(=O)CNS(=O)(=O)NC)C(=O)[O-] ZINC001588405554 983422264 /nfs/dbraw/zinc/42/22/64/983422264.db2.gz RJYBTUVZPPRZIL-LURJTMIESA-N -1 0 263.275 -2.367 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001588406454 983425559 /nfs/dbraw/zinc/42/55/59/983425559.db2.gz QQOVYXCUDNSZLK-NXEZZACHSA-N -1 0 268.269 -1.174 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(=O)[O-] ZINC001588407552 983428576 /nfs/dbraw/zinc/42/85/76/983428576.db2.gz JXNVLRSLANHMBG-SFYZADRCSA-N -1 0 294.271 -2.230 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)[O-] ZINC001588407665 983429095 /nfs/dbraw/zinc/42/90/95/983429095.db2.gz LVEMETOKDSLBDV-SSDOTTSWSA-N -1 0 280.240 -1.343 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)[O-] ZINC001588407881 983429495 /nfs/dbraw/zinc/42/94/95/983429495.db2.gz QNKFNJJTEYPCML-BQBZGAKWSA-N -1 0 288.281 -2.508 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)[O-] ZINC001588408011 983430101 /nfs/dbraw/zinc/43/01/01/983430101.db2.gz UWGVIODMRIQJPA-IUCAKERBSA-N -1 0 270.285 -1.288 20 30 CAEDRM C#CC[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC001588416216 983436320 /nfs/dbraw/zinc/43/63/20/983436320.db2.gz KXAOHIFCRQRTSJ-ZCFIWIBFSA-N -1 0 265.229 -2.030 20 30 CAEDRM C#CC[C@H](NC(=O)c1nccnc1C(N)=O)C(=O)[O-] ZINC001588421880 983443082 /nfs/dbraw/zinc/44/30/82/983443082.db2.gz POTPYZXZIRVQTA-LURJTMIESA-N -1 0 262.225 -1.218 20 30 CAEDRM C#CC[C@@H](NC(=O)c1nc2n(n1)CCCN2)C(=O)[O-] ZINC001588422436 983446450 /nfs/dbraw/zinc/44/64/50/983446450.db2.gz YFRLLOGILIYIKT-SSDOTTSWSA-N -1 0 263.257 -1.443 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-] ZINC001588423561 983453022 /nfs/dbraw/zinc/45/30/22/983453022.db2.gz LABBOPCKLSLWHQ-BWKAKNAASA-N -1 0 297.358 -1.128 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001588423562 983453051 /nfs/dbraw/zinc/45/30/51/983453051.db2.gz LABBOPCKLSLWHQ-GJEGPGMTSA-N -1 0 297.358 -1.128 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC001588423848 983453935 /nfs/dbraw/zinc/45/39/35/983453935.db2.gz PUROPWRIBPPALU-SFYZADRCSA-N -1 0 276.314 -1.141 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC001588423847 983453967 /nfs/dbraw/zinc/45/39/67/983453967.db2.gz PUROPWRIBPPALU-JGVFFNPUSA-N -1 0 276.314 -1.141 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC ZINC001588424308 983455245 /nfs/dbraw/zinc/45/52/45/983455245.db2.gz VJHAGKBUBBAXAZ-MRVPVSSYSA-N -1 0 292.313 -1.208 20 30 CAEDRM C#CCCS(=O)(=O)NCCC(=O)NCCC(=O)[O-] ZINC001588458275 983482770 /nfs/dbraw/zinc/48/27/70/983482770.db2.gz LWSUXKHYWDDAQS-UHFFFAOYSA-N -1 0 276.314 -1.090 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001588461099 983488870 /nfs/dbraw/zinc/48/88/70/983488870.db2.gz GGSBJNJDETWFFY-DTWKUNHWSA-N -1 0 268.269 -1.628 20 30 CAEDRM C#CCNC(=O)[C@@H](C)OC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588479352 983519220 /nfs/dbraw/zinc/51/92/20/983519220.db2.gz KGDBMFWFAOWSFK-SSDOTTSWSA-N -1 0 280.240 -1.343 20 30 CAEDRM C#CCNC(=O)CN(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001588483758 983521811 /nfs/dbraw/zinc/52/18/11/983521811.db2.gz HDMGCEIWFKOVGM-UWVGGRQHSA-N -1 0 281.312 -1.496 20 30 CAEDRM C#CCNC(=O)CN1CCN([C@H](C=C)C(=O)[O-])CC1 ZINC001588483811 983522377 /nfs/dbraw/zinc/52/23/77/983522377.db2.gz KBYVJSSESMZVER-LLVKDONJSA-N -1 0 265.313 -1.007 20 30 CAEDRM C#CCNC(=O)CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001588484018 983522677 /nfs/dbraw/zinc/52/26/77/983522677.db2.gz NTAIXAKGZMXBFP-VIFPVBQESA-N -1 0 267.285 -1.599 20 30 CAEDRM C#CCNCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001588485097 983523766 /nfs/dbraw/zinc/52/37/66/983523766.db2.gz AUZWCPRLIBVSSZ-QMMMGPOBSA-N -1 0 253.258 -2.037 20 30 CAEDRM C#CCNS(=O)(=O)N1CCN([C@H](C=C)C(=O)[O-])CC1 ZINC001588485917 983526040 /nfs/dbraw/zinc/52/60/40/983526040.db2.gz ALGDPYDNONEDBD-SNVBAGLBSA-N -1 0 287.341 -1.289 20 30 CAEDRM C#CCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588489660 983528566 /nfs/dbraw/zinc/52/85/66/983528566.db2.gz ANYWWQSMIRVFBT-IUCAKERBSA-N -1 0 289.309 -1.265 20 30 CAEDRM C#CCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588489662 983528718 /nfs/dbraw/zinc/52/87/18/983528718.db2.gz ANYWWQSMIRVFBT-RKDXNWHRSA-N -1 0 289.309 -1.265 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC001588542356 983607945 /nfs/dbraw/zinc/60/79/45/983607945.db2.gz GPIBYIVSMYBXSQ-MRVPVSSYSA-N -1 0 293.345 -1.082 20 30 CAEDRM C=C(CC)CNC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001588605421 983692726 /nfs/dbraw/zinc/69/27/26/983692726.db2.gz FCAAFJXWBIDAIO-UHFFFAOYSA-N -1 0 256.258 -1.273 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001588615122 983710194 /nfs/dbraw/zinc/71/01/94/983710194.db2.gz KWQGETUEUZKZLO-UHFFFAOYSA-N -1 0 283.284 -1.437 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001588615231 983710940 /nfs/dbraw/zinc/71/09/40/983710940.db2.gz NSNQCNMPVFJJDC-UHFFFAOYSA-N -1 0 291.329 -1.245 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001588623571 983728567 /nfs/dbraw/zinc/72/85/67/983728567.db2.gz SMKJTGBZACJHCF-MRVPVSSYSA-N -1 0 279.314 -1.071 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001588623572 983728995 /nfs/dbraw/zinc/72/89/95/983728995.db2.gz SMKJTGBZACJHCF-QMMMGPOBSA-N -1 0 279.314 -1.071 20 30 CAEDRM C=C(CN(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588636402 983754294 /nfs/dbraw/zinc/75/42/94/983754294.db2.gz FTARKNKDKBUOCO-VIFPVBQESA-N -1 0 290.341 -1.186 20 30 CAEDRM C=C(CO)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001588636989 983757982 /nfs/dbraw/zinc/75/79/82/983757982.db2.gz BOTQXGBHOUBRLX-YUMQZZPRSA-N -1 0 257.242 -1.133 20 30 CAEDRM C=C(CO)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588636986 983758005 /nfs/dbraw/zinc/75/80/05/983758005.db2.gz BOTQXGBHOUBRLX-HTQZYQBOSA-N -1 0 257.242 -1.133 20 30 CAEDRM CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596334742 983778181 /nfs/dbraw/zinc/77/81/81/983778181.db2.gz CBVQMNAIMZHUOD-ZJUUUORDSA-N -1 0 296.327 -1.215 20 30 CAEDRM C=CCNC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001588840095 984352024 /nfs/dbraw/zinc/35/20/24/984352024.db2.gz ZCIJORJVORBWBF-NXEZZACHSA-N -1 0 281.312 -1.190 20 30 CAEDRM C=CCNC(=O)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001588840096 984352031 /nfs/dbraw/zinc/35/20/31/984352031.db2.gz ZCIJORJVORBWBF-UWVGGRQHSA-N -1 0 281.312 -1.190 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001588843662 984353832 /nfs/dbraw/zinc/35/38/32/984353832.db2.gz DOPIUXYMMFQPJC-WPRPVWTQSA-N -1 0 285.300 -1.092 20 30 CAEDRM C=CCNC(=O)NC(=O)CN[C@](C)(CO)C(=O)[O-] ZINC001588844017 984355013 /nfs/dbraw/zinc/35/50/13/984355013.db2.gz MWIGPIHSISFBGL-SNVBAGLBSA-N -1 0 259.262 -1.577 20 30 CAEDRM C=CCOC[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588853843 984386571 /nfs/dbraw/zinc/38/65/71/984386571.db2.gz JMJUCCADYHTNJV-YUMQZZPRSA-N -1 0 284.268 -1.189 20 30 CAEDRM C=CCOC[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588853840 984386763 /nfs/dbraw/zinc/38/67/63/984386763.db2.gz JMJUCCADYHTNJV-HTQZYQBOSA-N -1 0 284.268 -1.189 20 30 CAEDRM C=CCOC[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588853841 984386774 /nfs/dbraw/zinc/38/67/74/984386774.db2.gz JMJUCCADYHTNJV-JGVFFNPUSA-N -1 0 284.268 -1.189 20 30 CAEDRM C=CCOC[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC001588854187 984388912 /nfs/dbraw/zinc/38/89/12/984388912.db2.gz QJEZKVAJLVVATP-QMMMGPOBSA-N -1 0 294.329 -1.350 20 30 CAEDRM C=CCOC[C@H](NC(=O)CNS(=O)(=O)CC)C(=O)[O-] ZINC001588854369 984390862 /nfs/dbraw/zinc/39/08/62/984390862.db2.gz XXYOQMYZVYWLCO-QMMMGPOBSA-N -1 0 294.329 -1.302 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C(=O)[O-] ZINC001588855349 984391746 /nfs/dbraw/zinc/39/17/46/984391746.db2.gz FKDIVKQJZUAOIY-HTQZYQBOSA-N -1 0 271.273 -1.218 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C(=O)[O-] ZINC001588855353 984392039 /nfs/dbraw/zinc/39/20/39/984392039.db2.gz FKDIVKQJZUAOIY-SFYZADRCSA-N -1 0 271.273 -1.218 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)[O-] ZINC001588855355 984392066 /nfs/dbraw/zinc/39/20/66/984392066.db2.gz FKDIVKQJZUAOIY-YUMQZZPRSA-N -1 0 271.273 -1.218 20 30 CAEDRM C=CCOC[C@@H](NC(=O)Cn1nc(C)oc1=O)C(=O)[O-] ZINC001588856090 984397346 /nfs/dbraw/zinc/39/73/46/984397346.db2.gz CFSAPQJORKRPEE-MRVPVSSYSA-N -1 0 285.256 -1.083 20 30 CAEDRM C=CCOC[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001588856615 984401388 /nfs/dbraw/zinc/40/13/88/984401388.db2.gz NTANZESANOAHJO-MRVPVSSYSA-N -1 0 279.256 -1.078 20 30 CAEDRM C=CCOC[C@@H](NC(=O)c1nnn(C)n1)C(=O)[O-] ZINC001588860544 984413715 /nfs/dbraw/zinc/41/37/15/984413715.db2.gz XQBIEVVDHRYNRF-ZCFIWIBFSA-N -1 0 255.234 -1.404 20 30 CAEDRM CC#CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001588926089 984590846 /nfs/dbraw/zinc/59/08/46/984590846.db2.gz IKXHMMFOWOVXTN-YUMQZZPRSA-N -1 0 279.252 -1.384 20 30 CAEDRM C/C(=C\C(=O)[O-])Cn1c(=O)c(C#N)cn(CCO)c1=O ZINC001588952319 984685104 /nfs/dbraw/zinc/68/51/04/984685104.db2.gz NKQVYKAKCQGJEP-XBXARRHUSA-N -1 0 279.252 -1.095 20 30 CAEDRM C/C(=C/Cn1c(=O)c(C#N)cn(CCO)c1=O)C(=O)[O-] ZINC001588995680 984927263 /nfs/dbraw/zinc/92/72/63/984927263.db2.gz PCHPUXREKFZYPW-WAPJZHGLSA-N -1 0 279.252 -1.095 20 30 CAEDRM CC(=NN1CC(=O)N(C)C1=O)c1cn(CC(=O)[O-])nn1 ZINC001589010751 984982458 /nfs/dbraw/zinc/98/24/58/984982458.db2.gz GQPFSUTXIOSNBM-UHFFFAOYSA-N -1 0 280.244 -1.019 20 30 CAEDRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589346650 986288677 /nfs/dbraw/zinc/28/86/77/986288677.db2.gz SUAVDJCIHBRWTM-ZCFIWIBFSA-N -1 0 265.229 -1.631 20 30 CAEDRM C[C@@H](C(=O)N1CC(O)(C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589346646 986288725 /nfs/dbraw/zinc/28/87/25/986288725.db2.gz SUAVDJCIHBRWTM-LURJTMIESA-N -1 0 265.229 -1.631 20 30 CAEDRM C[C@H](C(=O)N1CC[C@](O)(C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589352142 986321005 /nfs/dbraw/zinc/32/10/05/986321005.db2.gz HJVKQROVTUJHMC-RDDDGLTNSA-N -1 0 279.256 -1.241 20 30 CAEDRM C[C@@H](C(=O)N1CC[C@@](O)(C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589352140 986321032 /nfs/dbraw/zinc/32/10/32/986321032.db2.gz HJVKQROVTUJHMC-CPCISQLKSA-N -1 0 279.256 -1.241 20 30 CAEDRM C[C@@H](C(=O)N1CC[C@](O)(C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589352143 986321375 /nfs/dbraw/zinc/32/13/75/986321375.db2.gz HJVKQROVTUJHMC-WRWORJQWSA-N -1 0 279.256 -1.241 20 30 CAEDRM C[C@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)n1cnc(C#N)n1 ZINC001589430531 986718652 /nfs/dbraw/zinc/71/86/52/986718652.db2.gz TWTDEBMCAUILMG-AMXGMDGSSA-N -1 0 279.256 -1.195 20 30 CAEDRM CCS(=O)(=O)N(C)CC(=O)N(CC#N)CC(=O)[O-] ZINC001597215979 987142151 /nfs/dbraw/zinc/14/21/51/987142151.db2.gz LWRLKAYSSCESDR-UHFFFAOYSA-N -1 0 277.302 -1.295 20 30 CAEDRM CCS(=O)(=O)NCC(=O)N(CC#N)CC(=O)[O-] ZINC001597225828 987176579 /nfs/dbraw/zinc/17/65/79/987176579.db2.gz WSMNDRXIHHYNHY-UHFFFAOYSA-N -1 0 263.275 -1.638 20 30 CAEDRM C[C@@H](C(=O)[O-])N(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001599830879 988672575 /nfs/dbraw/zinc/67/25/75/988672575.db2.gz HICUKURZVNDCSY-YFKPBYRVSA-N -1 0 252.230 -1.145 20 30 CAEDRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1C(=O)[O-] ZINC001599850371 989001416 /nfs/dbraw/zinc/00/14/16/989001416.db2.gz MNQPWKGSUFEGOY-OPRDCNLKSA-N -1 0 295.295 -1.084 20 30 CAEDRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(=O)[O-] ZINC001599850357 989001523 /nfs/dbraw/zinc/00/15/23/989001523.db2.gz MNQPWKGSUFEGOY-KXUCPTDWSA-N -1 0 295.295 -1.084 20 30 CAEDRM CC(C)(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001590879073 990790434 /nfs/dbraw/zinc/79/04/34/990790434.db2.gz IAAGPGWNYYGYPO-ZETCQYMHSA-N -1 0 277.302 -1.092 20 30 CAEDRM CN(C)[S@@](C)(=O)=NC(=O)CN(CC#N)CC(=O)[O-] ZINC001598282992 991168972 /nfs/dbraw/zinc/16/89/72/991168972.db2.gz RBZPEXLZPDMJSV-SFHVURJKSA-N -1 0 276.318 -1.002 20 30 CAEDRM CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CC#N)CC(=O)[O-] ZINC001598283519 991174340 /nfs/dbraw/zinc/17/43/40/991174340.db2.gz YLJXWWUQFMJRQR-KRWDZBQOSA-N -1 0 298.346 -1.284 20 30 CAEDRM CS(=O)(=O)N1CC(CN(CC#N)CC(=O)[O-])C1 ZINC001599754294 992031656 /nfs/dbraw/zinc/03/16/56/992031656.db2.gz YXVAQYFDRORRCY-UHFFFAOYSA-N -1 0 261.303 -1.212 20 30 CAEDRM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC(=O)NCC#N ZINC001598489041 992256406 /nfs/dbraw/zinc/25/64/06/992256406.db2.gz JVBHGRDXTMCKLE-BDAKNGLRSA-N -1 0 282.300 -1.605 20 30 CAEDRM CN1C[C@H](C(=O)[O-])N(CC(=O)NCC#N)CC1=O ZINC001598563581 993116231 /nfs/dbraw/zinc/11/62/31/993116231.db2.gz MSBMPHUZWHOWBB-SSDOTTSWSA-N -1 0 254.246 -2.147 20 30 CAEDRM CN1C[C@H](C(=O)[O-])N(S(=O)(=O)CCCC#N)CC1=O ZINC001598566692 993154043 /nfs/dbraw/zinc/15/40/43/993154043.db2.gz YZKXQICLWCRMPK-MRVPVSSYSA-N -1 0 289.313 -1.153 20 30 CAEDRM CN1CC[C@@H](C(=O)N(CC#N)CC(=O)[O-])S1(=O)=O ZINC001598579097 993316732 /nfs/dbraw/zinc/31/67/32/993316732.db2.gz VICVJYJYZKSGKR-ZETCQYMHSA-N -1 0 275.286 -1.543 20 30 CAEDRM CN1CCO[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1=O ZINC001598626004 994093683 /nfs/dbraw/zinc/09/36/83/994093683.db2.gz QYCHLHWPQUAAEV-SECBINFHSA-N -1 0 269.257 -1.330 20 30 CAEDRM CN1CCO[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1=O ZINC001598626011 994095167 /nfs/dbraw/zinc/09/51/67/994095167.db2.gz QYCHLHWPQUAAEV-VIFPVBQESA-N -1 0 269.257 -1.330 20 30 CAEDRM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCC#N ZINC001598766583 995837933 /nfs/dbraw/zinc/83/79/33/995837933.db2.gz GEIOCNLBINQYBY-DTWKUNHWSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC(=O)NCC#N)C1 ZINC001598779296 995965567 /nfs/dbraw/zinc/96/55/67/995965567.db2.gz OVTURFXLXIYCPS-BDAKNGLRSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC001598860810 996672767 /nfs/dbraw/zinc/67/27/67/996672767.db2.gz JNYUGYYDTLOWCR-SSDOTTSWSA-N -1 0 295.255 -1.203 20 30 CAEDRM COC(=O)CNC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O ZINC001598865629 996705075 /nfs/dbraw/zinc/70/50/75/996705075.db2.gz ZWYNVCGOCFCHRT-UHFFFAOYSA-N -1 0 293.235 -1.293 20 30 CAEDRM COCC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001599211838 997515262 /nfs/dbraw/zinc/51/52/62/997515262.db2.gz HWEVSZAHWSKRPX-ZETCQYMHSA-N -1 0 267.245 -1.244 20 30 CAEDRM COCC#CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001599139010 998093892 /nfs/dbraw/zinc/09/38/92/998093892.db2.gz QYHBDJZVQGYMPK-SECBINFHSA-N -1 0 289.309 -1.264 20 30 CAEDRM COCC#CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599138990 998094439 /nfs/dbraw/zinc/09/44/39/998094439.db2.gz QOQZXRZQWTYDTP-RKDXNWHRSA-N -1 0 269.253 -1.032 20 30 CAEDRM COCC(=O)N(C)CC(=O)N(CC#N)CC(=O)[O-] ZINC001599140812 998126682 /nfs/dbraw/zinc/12/66/82/998126682.db2.gz FNGGZEISDJCKLQ-UHFFFAOYSA-N -1 0 257.246 -1.472 20 30 CAEDRM COCC(=O)NCCC(=O)N(CC#N)CC(=O)[O-] ZINC001599142984 998164416 /nfs/dbraw/zinc/16/44/16/998164416.db2.gz KPLLPAYQURISBP-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM COCCS(=O)(=O)CC(=O)N(CC#N)CCC(=O)[O-] ZINC001599262314 998407142 /nfs/dbraw/zinc/40/71/42/998407142.db2.gz KQQHHPGRIAFMMJ-UHFFFAOYSA-N -1 0 292.313 -1.126 20 30 CAEDRM COC1(C(=O)N(CC#N)CCC(=O)[O-])CS(=O)(=O)C1 ZINC001599063074 999280170 /nfs/dbraw/zinc/28/01/70/999280170.db2.gz YIQAUEBXSJRRKH-UHFFFAOYSA-N -1 0 290.297 -1.373 20 30 CAEDRM C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191863768 781923227 /nfs/dbraw/zinc/92/32/27/781923227.db2.gz IERGWRGVKQOIEG-BWZBUEFSSA-N -1 0 280.288 -1.669 20 30 CAEDRM C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191863774 781923661 /nfs/dbraw/zinc/92/36/61/781923661.db2.gz IERGWRGVKQOIEG-XLPZGREQSA-N -1 0 280.288 -1.669 20 30 CAEDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC#CCO)n1 ZINC001191934986 781924540 /nfs/dbraw/zinc/92/45/40/781924540.db2.gz DXAMSRQCTYUBHO-UHFFFAOYSA-N -1 0 274.258 -1.398 20 30 CAEDRM CN(Cc1n[n-]c(=O)o1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000425281689 530030061 /nfs/dbraw/zinc/03/00/61/530030061.db2.gz MJOYIEQVNLTJBD-UHFFFAOYSA-N -1 0 292.255 -1.319 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])o1 ZINC000287082946 372873353 /nfs/dbraw/zinc/87/33/53/372873353.db2.gz CIAKSHUECMDXNV-ZCFIWIBFSA-N -1 0 260.227 -1.125 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000593271533 373089058 /nfs/dbraw/zinc/08/90/58/373089058.db2.gz ICODYXZIQNCAMU-FXQIFTODSA-N -1 0 279.318 -1.254 20 30 CAEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000593252114 373090169 /nfs/dbraw/zinc/09/01/69/373090169.db2.gz YENLTCLWUWRJOE-HTQZYQBOSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC000593941757 373095489 /nfs/dbraw/zinc/09/54/89/373095489.db2.gz AZIVCBQFRQIBAY-JGVFFNPUSA-N -1 0 277.302 -1.234 20 30 CAEDRM C[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC000594544409 373102180 /nfs/dbraw/zinc/10/21/80/373102180.db2.gz KQYVBJYKXYYKTD-HTQZYQBOSA-N -1 0 269.257 -1.426 20 30 CAEDRM COC(=O)C1(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)CC1 ZINC000594452651 373102344 /nfs/dbraw/zinc/10/23/44/373102344.db2.gz RYCFPGXTKHCHES-UHFFFAOYSA-N -1 0 277.236 -1.069 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC(C(=O)[O-])C2)n(C)c1=O ZINC000595967677 373124874 /nfs/dbraw/zinc/12/48/74/373124874.db2.gz ATIUQAYJYNRZAI-UHFFFAOYSA-N -1 0 264.241 -1.524 20 30 CAEDRM Cn1cc(C#N)c(=O)n([C@@H]2CCN(CC(=O)[O-])C2=O)c1=O ZINC000596014547 373129204 /nfs/dbraw/zinc/12/92/04/373129204.db2.gz VMRWZPKZCMRJHX-MRVPVSSYSA-N -1 0 292.251 -1.723 20 30 CAEDRM CN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC000603919115 373217368 /nfs/dbraw/zinc/21/73/68/373217368.db2.gz RYOWGGHZOOCJDD-UHFFFAOYSA-N -1 0 291.311 -1.015 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000563225400 373280384 /nfs/dbraw/zinc/28/03/84/373280384.db2.gz ICODYXZIQNCAMU-BIIVOSGPSA-N -1 0 279.318 -1.254 20 30 CAEDRM C=CCN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000092463798 373498310 /nfs/dbraw/zinc/49/83/10/373498310.db2.gz VCXUQYJDFKZKQP-UHFFFAOYSA-N -1 0 285.343 -1.067 20 30 CAEDRM N#CCS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001192995150 781961504 /nfs/dbraw/zinc/96/15/04/781961504.db2.gz UCMSRADNDNPCRL-PVFLNQBWSA-N -1 0 282.274 -3.771 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000584841883 373656141 /nfs/dbraw/zinc/65/61/41/373656141.db2.gz LCPZMHFNLCIFAV-RQJHMYQMSA-N -1 0 265.291 -1.500 20 30 CAEDRM N#Cc1ccc(NCC(=O)N=c2cc(C(N)=O)[n-][nH]2)nc1 ZINC000611504363 373683100 /nfs/dbraw/zinc/68/31/00/373683100.db2.gz WJWUJZOQUNARBZ-UHFFFAOYSA-N -1 0 285.267 -1.330 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC000088381001 373704091 /nfs/dbraw/zinc/70/40/91/373704091.db2.gz SBNPTUGCGWMLPL-QMMMGPOBSA-N -1 0 271.273 -1.216 20 30 CAEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@@H](C#N)C(N)=O ZINC001193078049 781962775 /nfs/dbraw/zinc/96/27/75/781962775.db2.gz NEXZQJULQJYPFV-LURJTMIESA-N -1 0 277.302 -1.375 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000568002552 373964989 /nfs/dbraw/zinc/96/49/89/373964989.db2.gz FODMYZJMIJCLDL-QMMMGPOBSA-N -1 0 279.318 -1.156 20 30 CAEDRM C=C(C)C[C@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000630327189 373908386 /nfs/dbraw/zinc/90/83/86/373908386.db2.gz YGSHSJBMAUPOCL-VIFPVBQESA-N -1 0 285.300 -1.226 20 30 CAEDRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193159970 781964012 /nfs/dbraw/zinc/96/40/12/781964012.db2.gz VGQBLUKFKYECAS-BQBZGAKWSA-N -1 0 250.276 -1.258 20 30 CAEDRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@H](C)C#N)C(=O)OC ZINC001193160151 781964049 /nfs/dbraw/zinc/96/40/49/781964049.db2.gz ZRJQRNBQEFBHHU-RQJHMYQMSA-N -1 0 278.286 -1.077 20 30 CAEDRM Cn1cc(C#N)c(=NC(=O)N=c2ccn(CCO)[nH]2)[n-]1 ZINC000615025415 373917270 /nfs/dbraw/zinc/91/72/70/373917270.db2.gz JKBYEQVXMLMMKW-UHFFFAOYSA-N -1 0 275.272 -1.032 20 30 CAEDRM C=CCOC[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000578646916 373992825 /nfs/dbraw/zinc/99/28/25/373992825.db2.gz RIWGURLNVJTJAF-VIFPVBQESA-N -1 0 294.329 -1.191 20 30 CAEDRM C=CCOC[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-] ZINC000578646915 373993456 /nfs/dbraw/zinc/99/34/56/373993456.db2.gz RIWGURLNVJTJAF-SECBINFHSA-N -1 0 294.329 -1.191 20 30 CAEDRM COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC(=O)[O-])c1 ZINC000554505209 374055953 /nfs/dbraw/zinc/05/59/53/374055953.db2.gz VDGJJHHERKZDEV-UHFFFAOYSA-N -1 0 293.235 -1.293 20 30 CAEDRM CCOC(=O)C[C@@H](O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000600553991 374058229 /nfs/dbraw/zinc/05/82/29/374058229.db2.gz CZYLCUHHXWFSQX-MRVPVSSYSA-N -1 0 267.241 -1.278 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cn1 ZINC000228698288 374142977 /nfs/dbraw/zinc/14/29/77/374142977.db2.gz DCAGSQJQQVHBGI-QMMMGPOBSA-N -1 0 271.254 -1.323 20 30 CAEDRM CC(=O)CNC(=O)[C@H](C)n1c(=O)[n-]cc(C#N)c1=O ZINC000574637294 335035861 /nfs/dbraw/zinc/03/58/61/335035861.db2.gz HYJKBNTZDDICTN-ZETCQYMHSA-N -1 0 264.241 -1.326 20 30 CAEDRM N#Cc1cc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)ccc1[O-] ZINC001193519192 781972558 /nfs/dbraw/zinc/97/25/58/781972558.db2.gz SQMGJPQVKPVEFS-WOPDTQHZSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1cccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c1[O-] ZINC001193659471 781975322 /nfs/dbraw/zinc/97/53/22/781975322.db2.gz NBMFTCYKBYPYBC-DLOVCJGASA-N -1 0 288.311 -1.603 20 30 CAEDRM CCNC(=O)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000515843918 252253925 /nfs/dbraw/zinc/25/39/25/252253925.db2.gz DIXXRBHGIIQPAP-UHFFFAOYSA-N -1 0 265.229 -1.746 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652071212 409381004 /nfs/dbraw/zinc/38/10/04/409381004.db2.gz LVIWLXXURYISFP-YUMQZZPRSA-N -1 0 292.313 -1.550 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652071209 409381596 /nfs/dbraw/zinc/38/15/96/409381596.db2.gz LVIWLXXURYISFP-HTQZYQBOSA-N -1 0 292.313 -1.550 20 30 CAEDRM C=CCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000659662362 409560925 /nfs/dbraw/zinc/56/09/25/409560925.db2.gz FFGJKQZPNBXPLE-QMMMGPOBSA-N -1 0 256.258 -1.009 20 30 CAEDRM C=CCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000659662361 409561316 /nfs/dbraw/zinc/56/13/16/409561316.db2.gz FFGJKQZPNBXPLE-MRVPVSSYSA-N -1 0 256.258 -1.009 20 30 CAEDRM C=CCOCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000659666107 409561399 /nfs/dbraw/zinc/56/13/99/409561399.db2.gz XMOQZHUYUKAXJP-SECBINFHSA-N -1 0 286.284 -1.383 20 30 CAEDRM CC#CC[C@@H](CO)NC(=O)c1cnc([O-])n(C)c1=O ZINC000649185457 409505515 /nfs/dbraw/zinc/50/55/15/409505515.db2.gz FHODNQDATUAGJH-QMMMGPOBSA-N -1 0 265.269 -1.010 20 30 CAEDRM CC#CC[C@H](CO)NC(=O)c1cnc([O-])n(C)c1=O ZINC000649185456 409506670 /nfs/dbraw/zinc/50/66/70/409506670.db2.gz FHODNQDATUAGJH-MRVPVSSYSA-N -1 0 265.269 -1.010 20 30 CAEDRM C=CCN1C(=O)C(=O)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663219852 409622299 /nfs/dbraw/zinc/62/22/99/409622299.db2.gz UCUQBKVYGBRANB-SSDOTTSWSA-N -1 0 295.251 -1.351 20 30 CAEDRM N#Cc1ccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c([O-])c1 ZINC001195768518 782015107 /nfs/dbraw/zinc/01/51/07/782015107.db2.gz MVJZEGSEQZIEBV-WOPDTQHZSA-N -1 0 288.311 -1.603 20 30 CAEDRM CCn1cc(C#N)c(=O)n(Cc2n[nH]c(=O)[n-]2)c1=O ZINC000329179941 227341433 /nfs/dbraw/zinc/34/14/33/227341433.db2.gz NPMOSPFGIIKHHK-UHFFFAOYSA-N -1 0 262.229 -1.226 20 30 CAEDRM CCOC(=O)CS(=O)(=O)[N-][C@@H](C#N)C(=O)OCC ZINC001195994245 782024475 /nfs/dbraw/zinc/02/44/75/782024475.db2.gz FUHAMTSTYKDTQG-ZETCQYMHSA-N -1 0 278.286 -1.076 20 30 CAEDRM CCOC(=O)CS(=O)(=O)[N-][C@H](C#N)C(=O)OCC ZINC001195994244 782024694 /nfs/dbraw/zinc/02/46/94/782024694.db2.gz FUHAMTSTYKDTQG-SSDOTTSWSA-N -1 0 278.286 -1.076 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000520235831 265711987 /nfs/dbraw/zinc/71/19/87/265711987.db2.gz CHYWJGPGBOYBID-RQJHMYQMSA-N -1 0 265.291 -1.642 20 30 CAEDRM N#C[C@H]([N-]S(=O)(=O)Cc1cccnc1)C(N)=O ZINC001197485241 782053577 /nfs/dbraw/zinc/05/35/77/782053577.db2.gz FGHGZINIAMMTIJ-QMMMGPOBSA-N -1 0 254.271 -1.122 20 30 CAEDRM N#C[C@@H]([N-]S(=O)(=O)Cc1cccnc1)C(N)=O ZINC001197485240 782054851 /nfs/dbraw/zinc/05/48/51/782054851.db2.gz FGHGZINIAMMTIJ-MRVPVSSYSA-N -1 0 254.271 -1.122 20 30 CAEDRM N#C[C@H]([N-]S(=O)(=O)Cc1ccccn1)C(N)=O ZINC001197849469 782059216 /nfs/dbraw/zinc/05/92/16/782059216.db2.gz XQVGNRUOYFGSLO-QMMMGPOBSA-N -1 0 254.271 -1.122 20 30 CAEDRM C[C@H](C(=O)[O-])N(C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000262191903 298213080 /nfs/dbraw/zinc/21/30/80/298213080.db2.gz YVDCYDMUQBKCDM-ZCFIWIBFSA-N -1 0 266.257 -1.135 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC[C@H](C(=O)[O-])C2)n(C)c1=O ZINC000262090900 302892304 /nfs/dbraw/zinc/89/23/04/302892304.db2.gz GWIKMWGHYAXOMX-ZETCQYMHSA-N -1 0 278.268 -1.133 20 30 CAEDRM N#CCC1(CS(=O)(=O)NCC(=O)NCC(=O)[O-])CC1 ZINC000563225767 327982033 /nfs/dbraw/zinc/98/20/33/327982033.db2.gz GMUZPGRUAPFQDN-UHFFFAOYSA-N -1 0 289.313 -1.200 20 30 CAEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000518542527 327173568 /nfs/dbraw/zinc/17/35/68/327173568.db2.gz YENLTCLWUWRJOE-YUMQZZPRSA-N -1 0 279.318 -1.252 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cn1 ZINC000159550586 327533555 /nfs/dbraw/zinc/53/35/55/327533555.db2.gz BOEGHIKYKAKAGJ-QMMMGPOBSA-N -1 0 271.254 -1.323 20 30 CAEDRM C[C@H](O)[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-] ZINC000583634555 328723519 /nfs/dbraw/zinc/72/35/19/328723519.db2.gz YKHUIYWVRMLNQW-FXQIFTODSA-N -1 0 279.318 -1.111 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000572005220 329936697 /nfs/dbraw/zinc/93/66/97/329936697.db2.gz QFKZEQAAAKSLLK-ZETCQYMHSA-N -1 0 292.317 -1.887 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)[O-])C1=O ZINC000262251646 330002929 /nfs/dbraw/zinc/00/29/29/330002929.db2.gz QNNXZWNRXFRPJB-UHFFFAOYSA-N -1 0 283.240 -1.446 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000262703275 330027946 /nfs/dbraw/zinc/02/79/46/330027946.db2.gz LMOMERAYEUUEHP-UHFFFAOYSA-N -1 0 269.213 -1.836 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(=O)[O-])C1=O ZINC000262714284 330028491 /nfs/dbraw/zinc/02/84/91/330028491.db2.gz RBPYCYAKQCSRQT-ZCFIWIBFSA-N -1 0 283.240 -1.448 20 30 CAEDRM C=CCOCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424252753 330332346 /nfs/dbraw/zinc/33/23/46/330332346.db2.gz WSKYSOMSNMSTBX-QMMMGPOBSA-N -1 0 277.298 -1.101 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000491690208 332287396 /nfs/dbraw/zinc/28/73/96/332287396.db2.gz CDMNILIVVAWTKS-SECBINFHSA-N -1 0 268.269 -1.172 20 30 CAEDRM C[C@@H](O)[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-] ZINC000575807212 335117326 /nfs/dbraw/zinc/11/73/26/335117326.db2.gz YKHUIYWVRMLNQW-PRJMDXOYSA-N -1 0 279.318 -1.111 20 30 CAEDRM C[C@@H](O)[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-] ZINC000575807213 335117412 /nfs/dbraw/zinc/11/74/12/335117412.db2.gz YKHUIYWVRMLNQW-RNJXMRFFSA-N -1 0 279.318 -1.111 20 30 CAEDRM C#CCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000191995755 333228165 /nfs/dbraw/zinc/22/81/65/333228165.db2.gz VBGHKWDPJKOBBL-UHFFFAOYSA-N -1 0 294.292 -1.135 20 30 CAEDRM CO[C@H](CNS(=O)(=O)N(C)CCC#N)C(=O)[O-] ZINC000547884855 334128683 /nfs/dbraw/zinc/12/86/83/334128683.db2.gz OLAVDJTWTZTFLE-SSDOTTSWSA-N -1 0 265.291 -1.234 20 30 CAEDRM CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000564661981 334515623 /nfs/dbraw/zinc/51/56/23/334515623.db2.gz WVLMEXBPQIXAIC-SFYZADRCSA-N -1 0 279.318 -1.252 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cn1 ZINC000164969755 334890607 /nfs/dbraw/zinc/89/06/07/334890607.db2.gz RJTISTNWZRYDDX-UHFFFAOYSA-N -1 0 298.280 -1.568 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000573095883 334907879 /nfs/dbraw/zinc/90/78/79/334907879.db2.gz LCPZMHFNLCIFAV-RNFRBKRXSA-N -1 0 265.291 -1.500 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000573095882 334907920 /nfs/dbraw/zinc/90/79/20/334907920.db2.gz LCPZMHFNLCIFAV-NKWVEPMBSA-N -1 0 265.291 -1.500 20 30 CAEDRM COC(=O)CCNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000576703053 335237063 /nfs/dbraw/zinc/23/70/63/335237063.db2.gz KVYDAOIFRHVETR-UHFFFAOYSA-N -1 0 280.240 -1.912 20 30 CAEDRM C=C(C)CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000577616300 335378739 /nfs/dbraw/zinc/37/87/39/335378739.db2.gz PSPQORBUQYATEX-LURJTMIESA-N -1 0 250.276 -1.190 20 30 CAEDRM CCOCCNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000577633586 335383392 /nfs/dbraw/zinc/38/33/92/335383392.db2.gz PRWMHDMMDNOTQK-UHFFFAOYSA-N -1 0 266.257 -1.439 20 30 CAEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000360406720 335828715 /nfs/dbraw/zinc/82/87/15/335828715.db2.gz HVMJSOMEIXCGPH-UHFFFAOYSA-N -1 0 255.274 -1.483 20 30 CAEDRM C=CCNC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001202573189 782127142 /nfs/dbraw/zinc/12/71/42/782127142.db2.gz BTEOGBPVGLHNBK-WDSKDSINSA-N -1 0 263.275 -1.126 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CC1SC(=N)NC1=O ZINC000833065516 582205429 /nfs/dbraw/zinc/20/54/29/582205429.db2.gz BINYEABMJJNGMZ-YFKPBYRVSA-N -1 0 270.270 -1.020 20 30 CAEDRM C#CC[C@@H](COC)NC(=O)C(=O)[N-]OCCOC ZINC000875603145 582261577 /nfs/dbraw/zinc/26/15/77/582261577.db2.gz RTUWJOIEBSUXBA-VIFPVBQESA-N -1 0 258.274 -1.165 20 30 CAEDRM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)CC#N ZINC001275874186 782182985 /nfs/dbraw/zinc/18/29/85/782182985.db2.gz PPRSIRIZHIOVKQ-LURJTMIESA-N -1 0 266.261 -1.144 20 30 CAEDRM C#CCO[N-]C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000812781595 582109206 /nfs/dbraw/zinc/10/92/06/582109206.db2.gz ACWIMNNNLAXOLY-UHFFFAOYSA-N -1 0 272.286 -1.621 20 30 CAEDRM COCCN1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O ZINC000737807463 582124197 /nfs/dbraw/zinc/12/41/97/582124197.db2.gz GPJJLUMPTGGNSC-SECBINFHSA-N -1 0 283.284 -1.082 20 30 CAEDRM C#CCN1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000733161361 582125966 /nfs/dbraw/zinc/12/59/66/582125966.db2.gz RGOWHNNKYDMNEB-UHFFFAOYSA-N -1 0 276.296 -1.123 20 30 CAEDRM COCCS(=O)(=O)CC(=O)N(CC#N)CC(=O)[O-] ZINC000737826475 582126312 /nfs/dbraw/zinc/12/63/12/582126312.db2.gz WHUASQGPPKPECC-UHFFFAOYSA-N -1 0 278.286 -1.516 20 30 CAEDRM C#CCN(CC#CC)C(=O)C(=O)NCCOCC(=O)[O-] ZINC000884475889 582126883 /nfs/dbraw/zinc/12/68/83/582126883.db2.gz VRHKCFMPSSSKNU-UHFFFAOYSA-N -1 0 280.280 -1.311 20 30 CAEDRM C#CCNC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000736079080 582130042 /nfs/dbraw/zinc/13/00/42/582130042.db2.gz GROKUTYVLGHLGK-UHFFFAOYSA-N -1 0 283.328 -1.545 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)N=c1nn[n-]n1CC ZINC000888324365 582131760 /nfs/dbraw/zinc/13/17/60/582131760.db2.gz WBZPCMPFFBUZSZ-QMMMGPOBSA-N -1 0 250.262 -1.019 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NN1CC(=O)NC1=O ZINC000819847324 582132655 /nfs/dbraw/zinc/13/26/55/582132655.db2.gz LCTZFCHATXXCPH-VIFPVBQESA-N -1 0 254.202 -1.426 20 30 CAEDRM N#CCCN(CCN1CCOCC1)C(=O)c1cc(=O)[nH][n-]1 ZINC000748323931 582142308 /nfs/dbraw/zinc/14/23/08/582142308.db2.gz UFRSAMBXMIKHBK-UHFFFAOYSA-N -1 0 293.327 -1.063 20 30 CAEDRM C=CCOCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750732365 582143140 /nfs/dbraw/zinc/14/31/40/582143140.db2.gz TYJOBQOUCLFPRD-UHFFFAOYSA-N -1 0 264.303 -1.118 20 30 CAEDRM N#CCSCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750730945 582143160 /nfs/dbraw/zinc/14/31/60/582143160.db2.gz JPHVFNYUPJCOLG-UHFFFAOYSA-N -1 0 279.343 -1.064 20 30 CAEDRM C#CCN1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000751579943 582143349 /nfs/dbraw/zinc/14/33/49/582143349.db2.gz ALUZCKYZKPLPBA-UHFFFAOYSA-N -1 0 276.296 -1.123 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000765607519 582150218 /nfs/dbraw/zinc/15/02/18/582150218.db2.gz AWYHCECMYPTOOT-UHFFFAOYSA-N -1 0 260.275 -1.786 20 30 CAEDRM COc1nc(C(=O)OCC(=O)NCC#N)cc(=O)[n-]1 ZINC000770515391 582152402 /nfs/dbraw/zinc/15/24/02/582152402.db2.gz AEMLCCZRNBASAC-UHFFFAOYSA-N -1 0 266.213 -1.013 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000772709938 582153747 /nfs/dbraw/zinc/15/37/47/582153747.db2.gz INLBJAYBHAMAEJ-UHFFFAOYSA-N -1 0 287.297 -1.821 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000772721192 582153754 /nfs/dbraw/zinc/15/37/54/582153754.db2.gz GRQXZIQTTPSCAF-UHFFFAOYSA-N -1 0 287.297 -1.670 20 30 CAEDRM N#Cc1ccc(C(=O)NCC(=O)[N-]OCC(N)=O)cc1 ZINC000772935289 582153981 /nfs/dbraw/zinc/15/39/81/582153981.db2.gz FTMFBVUOMHZMCE-UHFFFAOYSA-N -1 0 276.252 -1.179 20 30 CAEDRM CN1CCN(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O ZINC000781903731 582158409 /nfs/dbraw/zinc/15/84/09/582158409.db2.gz ISHDAUUINHLOQZ-UHFFFAOYSA-N -1 0 287.283 -1.134 20 30 CAEDRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1=O ZINC000793194418 582163804 /nfs/dbraw/zinc/16/38/04/582163804.db2.gz KGTLNPRCPOQFRL-UHFFFAOYSA-N -1 0 299.312 -1.668 20 30 CAEDRM C#CCC[C@H](O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC000799080968 582167015 /nfs/dbraw/zinc/16/70/15/582167015.db2.gz PBGOLWJBFPNXKP-QMMMGPOBSA-N -1 0 265.269 -1.010 20 30 CAEDRM C#CCC[C@@H](O)CNC(=O)c1cnc([O-])n(C)c1=O ZINC000799080953 582167017 /nfs/dbraw/zinc/16/70/17/582167017.db2.gz PBGOLWJBFPNXKP-MRVPVSSYSA-N -1 0 265.269 -1.010 20 30 CAEDRM C#C[C@H](NC(=O)C(=O)[N-]OCCOC)[C@H]1CCCO1 ZINC000809304908 582170661 /nfs/dbraw/zinc/17/06/61/582170661.db2.gz SIBOGIFEXWGQGE-VHSXEESVSA-N -1 0 270.285 -1.022 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000810780324 582171681 /nfs/dbraw/zinc/17/16/81/582171681.db2.gz YJCUWCIEPFGPEV-UHFFFAOYSA-N -1 0 294.354 -1.509 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000810771360 582171688 /nfs/dbraw/zinc/17/16/88/582171688.db2.gz JTJAHTKDOJODMW-UHFFFAOYSA-N -1 0 260.315 -1.212 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000810778458 582171702 /nfs/dbraw/zinc/17/17/02/582171702.db2.gz ZAGMMLLFNUZMBC-MRVPVSSYSA-N -1 0 258.299 -1.018 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CN1CCOCC1 ZINC000810779393 582171746 /nfs/dbraw/zinc/17/17/46/582171746.db2.gz KWFWSZGGRZFCBX-UHFFFAOYSA-N -1 0 260.315 -1.212 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000810785457 582171755 /nfs/dbraw/zinc/17/17/55/582171755.db2.gz HYGBUFUCWYAXJP-QMMMGPOBSA-N -1 0 258.299 -1.066 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000810785933 582171759 /nfs/dbraw/zinc/17/17/59/582171759.db2.gz UQIFVBCBUNCMMY-UHFFFAOYSA-N -1 0 274.298 -1.686 20 30 CAEDRM C#CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000812786536 582172080 /nfs/dbraw/zinc/17/20/80/582172080.db2.gz MUVXZTNAJMBFTD-MRVPVSSYSA-N -1 0 286.313 -1.232 20 30 CAEDRM C[C@@H](NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O)C1CC1 ZINC000814223134 582172713 /nfs/dbraw/zinc/17/27/13/582172713.db2.gz BNTUPBFSKMOVHE-SCSAIBSYSA-N -1 0 283.313 -1.029 20 30 CAEDRM O=C1[N-]C(=O)C(=NNC(=S)NC[C@H]2CCCO2)C(=O)N1 ZINC000814213393 582172746 /nfs/dbraw/zinc/17/27/46/582172746.db2.gz KVBABAXHKKMPAB-RXMQYKEDSA-N -1 0 299.312 -1.649 20 30 CAEDRM COCCCNC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814214684 582172770 /nfs/dbraw/zinc/17/27/70/582172770.db2.gz HDQWWBYPUBRXDH-UHFFFAOYSA-N -1 0 287.301 -1.791 20 30 CAEDRM CN1C(=O)CN(N=C2C(=O)[N-]C(=O)NC2=O)C1=O ZINC000814226628 582172810 /nfs/dbraw/zinc/17/28/10/582172810.db2.gz ZHKGNXHHRYFGJH-UHFFFAOYSA-N -1 0 253.174 -2.398 20 30 CAEDRM CC(C)(C)NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814215103 582172838 /nfs/dbraw/zinc/17/28/38/582172838.db2.gz KIAIMKLGMAKJIJ-UHFFFAOYSA-N -1 0 271.302 -1.029 20 30 CAEDRM O=C1[N-]C(=O)C(=NNCCc2ccncc2)C(=O)N1 ZINC000814230091 582172845 /nfs/dbraw/zinc/17/28/45/582172845.db2.gz JHVROWHUUBGHHW-UHFFFAOYSA-N -1 0 261.241 -1.064 20 30 CAEDRM O=C1[N-]C(=O)C(=NNCCOCC(F)(F)F)C(=O)N1 ZINC000814224822 582172850 /nfs/dbraw/zinc/17/28/50/582172850.db2.gz BAXMOCZROJLYSU-UHFFFAOYSA-N -1 0 282.178 -1.123 20 30 CAEDRM COC(=O)Cn1cc(C(C)=NNCC(=O)[O-])nn1 ZINC000814958830 582172934 /nfs/dbraw/zinc/17/29/34/582172934.db2.gz VJQJOWZNAIXHEC-UHFFFAOYSA-N -1 0 255.234 -1.151 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000815996951 582173581 /nfs/dbraw/zinc/17/35/81/582173581.db2.gz ULEBGKAOVWFBLL-UHFFFAOYSA-N -1 0 274.302 -1.396 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000819110822 582177209 /nfs/dbraw/zinc/17/72/09/582177209.db2.gz ABRUSJNDCQTTTK-ZETCQYMHSA-N -1 0 265.229 -1.538 20 30 CAEDRM C#CCNC(=O)Cn1cccc(-c2nnn[n-]2)c1=O ZINC000819702256 582177713 /nfs/dbraw/zinc/17/77/13/582177713.db2.gz VSEGUPZYYVUQAR-UHFFFAOYSA-N -1 0 258.241 -1.222 20 30 CAEDRM C#CCN(CC#CC)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819697950 582177732 /nfs/dbraw/zinc/17/77/32/582177732.db2.gz PBGVLVWCDWCINC-UHFFFAOYSA-N -1 0 284.283 -1.057 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000819821503 582178006 /nfs/dbraw/zinc/17/80/06/582178006.db2.gz HOFMZRKXEXJCEZ-MADCSZMMSA-N -1 0 294.267 -1.246 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000819821652 582178016 /nfs/dbraw/zinc/17/80/16/582178016.db2.gz IXPAMDNVXWYWJY-GFCCVEGCSA-N -1 0 282.300 -1.380 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819812089 582178097 /nfs/dbraw/zinc/17/80/97/582178097.db2.gz YQUGVAJGNZNPLC-GMSGAONNSA-N -1 0 289.313 -1.120 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCn1ncnn1 ZINC000819843156 582178211 /nfs/dbraw/zinc/17/82/11/582178211.db2.gz YOGZCHKZQWVKAP-VIFPVBQESA-N -1 0 252.234 -1.206 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000819823927 582178255 /nfs/dbraw/zinc/17/82/55/582178255.db2.gz WZNDCSDOIABWFK-HQJQHLMTSA-N -1 0 269.257 -1.296 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)NC(N)=O ZINC000819832913 582178276 /nfs/dbraw/zinc/17/82/76/582178276.db2.gz DKWVHLDELHGCAJ-SNVBAGLBSA-N -1 0 270.245 -1.308 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000819833419 582178307 /nfs/dbraw/zinc/17/83/07/582178307.db2.gz GVNMELGGQSFZMJ-LLVKDONJSA-N -1 0 282.256 -1.341 20 30 CAEDRM C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)[O-] ZINC000820115858 582178949 /nfs/dbraw/zinc/17/89/49/582178949.db2.gz ZRMREZZOASWTFW-ZCFIWIBFSA-N -1 0 265.229 -1.066 20 30 CAEDRM CNC(=O)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1 ZINC000820631069 582180352 /nfs/dbraw/zinc/18/03/52/582180352.db2.gz OCUCNJZPQCFSAN-UFBFGSQYSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(N)=O ZINC000820710786 582180659 /nfs/dbraw/zinc/18/06/59/582180659.db2.gz UBCFATALBVBPDX-QUBYGPBYSA-N -1 0 257.246 -1.393 20 30 CAEDRM COC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(N)=O ZINC000820710784 582180672 /nfs/dbraw/zinc/18/06/72/582180672.db2.gz UBCFATALBVBPDX-LHLIQPBNSA-N -1 0 257.246 -1.393 20 30 CAEDRM N#CCCN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000821324408 582181947 /nfs/dbraw/zinc/18/19/47/582181947.db2.gz DMQDPAYYDBFDIO-UHFFFAOYSA-N -1 0 254.290 -1.282 20 30 CAEDRM C#CCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823451100 582185530 /nfs/dbraw/zinc/18/55/30/582185530.db2.gz NFEDTEXOCAKUFT-UHFFFAOYSA-N -1 0 287.341 -1.071 20 30 CAEDRM C#CCNC(=O)CN1CCN(CCNC(=O)[O-])CC1 ZINC000823455259 582185565 /nfs/dbraw/zinc/18/55/65/582185565.db2.gz BEFZIVKMPCJFSM-UHFFFAOYSA-N -1 0 268.317 -1.379 20 30 CAEDRM C#CCN(CC#C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000823451217 582185586 /nfs/dbraw/zinc/18/55/86/582185586.db2.gz QKPDLVFDRDUYAO-UHFFFAOYSA-N -1 0 277.280 -1.096 20 30 CAEDRM C#CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823456695 582185630 /nfs/dbraw/zinc/18/56/30/582185630.db2.gz PIXUVXZDDYWERV-DJLDLDEBSA-N -1 0 284.268 -1.219 20 30 CAEDRM CC(=O)NCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000823575600 582185760 /nfs/dbraw/zinc/18/57/60/582185760.db2.gz UXXYWMPJQNGSAZ-QMMMGPOBSA-N -1 0 254.246 -1.163 20 30 CAEDRM C[C@@H]1CC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)=NO1 ZINC000824894567 582187588 /nfs/dbraw/zinc/18/75/88/582187588.db2.gz YVGTYTDXAJPAEB-RXMQYKEDSA-N -1 0 277.248 -1.303 20 30 CAEDRM C#CCN1CCN(C(=O)CN(CC#N)CC(=O)[O-])CC1 ZINC000825619406 582189167 /nfs/dbraw/zinc/18/91/67/582189167.db2.gz LZTKXIFZBDVHQC-UHFFFAOYSA-N -1 0 278.312 -1.326 20 30 CAEDRM C#CCN1CCN(C(=O)CN2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000825619845 582189209 /nfs/dbraw/zinc/18/92/09/582189209.db2.gz PZJNXMKGHRUMMT-GFCCVEGCSA-N -1 0 295.339 -1.451 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000825618354 582189216 /nfs/dbraw/zinc/18/92/16/582189216.db2.gz AWQIIKYVTBBUCK-NSHDSACASA-N -1 0 295.339 -1.009 20 30 CAEDRM C=CCNC(=O)NC(=O)CN(CC#N)CC(=O)[O-] ZINC000825687493 582189222 /nfs/dbraw/zinc/18/92/22/582189222.db2.gz MNFURXYXPAGISG-UHFFFAOYSA-N -1 0 254.246 -1.092 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000825618353 582189228 /nfs/dbraw/zinc/18/92/28/582189228.db2.gz AWQIIKYVTBBUCK-LLVKDONJSA-N -1 0 295.339 -1.009 20 30 CAEDRM CCn1cc(-c2nnn[n-]2)c(=O)n(CC#CCOC)c1=O ZINC000825796919 582189319 /nfs/dbraw/zinc/18/93/19/582189319.db2.gz PJDOYBBOGPTYRC-UHFFFAOYSA-N -1 0 290.283 -1.140 20 30 CAEDRM COCC#CCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O ZINC000826147957 582190176 /nfs/dbraw/zinc/19/01/76/582190176.db2.gz SMWQEVJDMRDBFD-UHFFFAOYSA-N -1 0 276.256 -1.623 20 30 CAEDRM C[C@@H](NC(=O)CN(CC#N)CC(=O)[O-])C(=O)N(C)C ZINC000827629712 582193346 /nfs/dbraw/zinc/19/33/46/582193346.db2.gz JRWWNBDTIIKTEJ-MRVPVSSYSA-N -1 0 270.289 -1.511 20 30 CAEDRM CN(CCNC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC000828321393 582194637 /nfs/dbraw/zinc/19/46/37/582194637.db2.gz OZJRIRNASDIGMD-UHFFFAOYSA-N -1 0 252.234 -1.124 20 30 CAEDRM COC(=O)CN(CC#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828683296 582195977 /nfs/dbraw/zinc/19/59/77/582195977.db2.gz HQEZVOFABOOFOZ-QMMMGPOBSA-N -1 0 285.256 -1.110 20 30 CAEDRM COC[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000828885521 582196113 /nfs/dbraw/zinc/19/61/13/582196113.db2.gz HAGDOSSHMIYORV-LBPRGKRZSA-N -1 0 298.299 -1.147 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000831075911 582200265 /nfs/dbraw/zinc/20/02/65/582200265.db2.gz DPFSTAZVDTXLLI-SFYZADRCSA-N -1 0 266.257 -1.163 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000831077253 582200270 /nfs/dbraw/zinc/20/02/70/582200270.db2.gz XWXMTIVQCYDUOU-JGVFFNPUSA-N -1 0 266.257 -1.021 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1CC(=O)NC1=O ZINC000831082011 582200325 /nfs/dbraw/zinc/20/03/25/582200325.db2.gz FWZJYFAAKFAZEC-SSDOTTSWSA-N -1 0 295.255 -1.747 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cccnc1=O ZINC000831087815 582200362 /nfs/dbraw/zinc/20/03/62/582200362.db2.gz QVHGVQJCCMGUTG-SECBINFHSA-N -1 0 291.267 -1.042 20 30 CAEDRM N#CCN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831102831 582200387 /nfs/dbraw/zinc/20/03/87/582200387.db2.gz VWXPHZGMPYPWSC-VHSXEESVSA-N -1 0 282.300 -1.233 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NC(N)=O ZINC000831091288 582200388 /nfs/dbraw/zinc/20/03/88/582200388.db2.gz AOFLEWVOSDTWSX-LURJTMIESA-N -1 0 255.234 -1.631 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cncn1 ZINC000831088133 582200390 /nfs/dbraw/zinc/20/03/90/582200390.db2.gz YGEPMSYEXLLANP-MRVPVSSYSA-N -1 0 264.245 -1.008 20 30 CAEDRM N#CCN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000831097064 582200401 /nfs/dbraw/zinc/20/04/01/582200401.db2.gz CVJGMKHCKIKMOU-UHFFFAOYSA-N -1 0 288.329 -1.180 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000831097558 582200403 /nfs/dbraw/zinc/20/04/03/582200403.db2.gz LCYSSXUFQWUCOV-QMMMGPOBSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#CCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1 ZINC000831102832 582200407 /nfs/dbraw/zinc/20/04/07/582200407.db2.gz VWXPHZGMPYPWSC-ZJUUUORDSA-N -1 0 282.300 -1.233 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000831102274 582200429 /nfs/dbraw/zinc/20/04/29/582200429.db2.gz FDMOGSSMMMDHLH-SSDOTTSWSA-N -1 0 271.229 -1.452 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCNC(=O)C1 ZINC000831091620 582200432 /nfs/dbraw/zinc/20/04/32/582200432.db2.gz JCGSXFJYQVINNX-SECBINFHSA-N -1 0 295.299 -1.867 20 30 CAEDRM N#CCNC(=O)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831102377 582200454 /nfs/dbraw/zinc/20/04/54/582200454.db2.gz IRAXDFYAOPHHCW-MRVPVSSYSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831102194 582200467 /nfs/dbraw/zinc/20/04/67/582200467.db2.gz BUJOBGNVSDEAQH-SSDOTTSWSA-N -1 0 271.229 -1.452 20 30 CAEDRM COC(=O)CN(CC#N)CCC(=O)NCC(=O)[O-] ZINC000831163585 582200679 /nfs/dbraw/zinc/20/06/79/582200679.db2.gz ANKGLVXWYYHKHK-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1 ZINC000831161531 582200697 /nfs/dbraw/zinc/20/06/97/582200697.db2.gz CVTPBYRQNSGYFS-MRVPVSSYSA-N -1 0 289.255 -1.136 20 30 CAEDRM COC(=O)CN(CC#N)CC(=O)NCCC(=O)[O-] ZINC000831163905 582200759 /nfs/dbraw/zinc/20/07/59/582200759.db2.gz GIBJMWVLAAPVRK-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM COC(=O)CN(CC(=O)[O-])C(=O)Cn1cnc(C#N)n1 ZINC000831169982 582200822 /nfs/dbraw/zinc/20/08/22/582200822.db2.gz DGMAZKSSSVDSLG-UHFFFAOYSA-N -1 0 281.228 -1.764 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000833062559 582205386 /nfs/dbraw/zinc/20/53/86/582205386.db2.gz NDMWSGTXGWSZQU-ZETCQYMHSA-N -1 0 265.229 -1.273 20 30 CAEDRM N#CCN(CC(=O)[O-])C[C@H](O)CN1CCCC1=O ZINC000833067653 582205392 /nfs/dbraw/zinc/20/53/92/582205392.db2.gz WZQMGBISEDWDBC-VIFPVBQESA-N -1 0 255.274 -1.120 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC[C@@](F)(C(=O)[O-])C2)n(C)c1=O ZINC000833038572 582205410 /nfs/dbraw/zinc/20/54/10/582205410.db2.gz COTUZUXGCGSEMN-LBPRGKRZSA-N -1 0 296.258 -1.041 20 30 CAEDRM N#CCN(CC(=O)[O-])CC(=O)N1CCNC(=O)C1 ZINC000833066397 582205439 /nfs/dbraw/zinc/20/54/39/582205439.db2.gz XRAOYOQIAWTDDD-UHFFFAOYSA-N -1 0 254.246 -2.145 20 30 CAEDRM N#CCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833067721 582205441 /nfs/dbraw/zinc/20/54/41/582205441.db2.gz ZFPFTLWWSCMQAA-UHFFFAOYSA-N -1 0 278.272 -1.356 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1 ZINC000833078106 582205442 /nfs/dbraw/zinc/20/54/42/582205442.db2.gz CJGHJHSTUBBPDP-ZETCQYMHSA-N -1 0 292.255 -2.049 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCN(C(=O)[O-])CC2)n1 ZINC000833079397 582205445 /nfs/dbraw/zinc/20/54/45/582205445.db2.gz UXYTZTGZTHPJGK-UHFFFAOYSA-N -1 0 264.245 -1.028 20 30 CAEDRM C#CCOCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000833364841 582205930 /nfs/dbraw/zinc/20/59/30/582205930.db2.gz YAEKLSGWNWOACV-SECBINFHSA-N -1 0 268.269 -1.172 20 30 CAEDRM C#CCN1CCN(C(=O)CN[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000833365196 582205940 /nfs/dbraw/zinc/20/59/40/582205940.db2.gz ZOGOZXKHVSWRTA-AWEZNQCLSA-N -1 0 295.339 -1.403 20 30 CAEDRM C#CCNC(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833365048 582205948 /nfs/dbraw/zinc/20/59/48/582205948.db2.gz AFPJZVRYOXJTJX-NSHDSACASA-N -1 0 254.286 -1.107 20 30 CAEDRM C=CCNC(=O)CNS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000833376887 582206131 /nfs/dbraw/zinc/20/61/31/582206131.db2.gz UCIAVDWXRPCKFQ-SSDOTTSWSA-N -1 0 264.303 -1.071 20 30 CAEDRM Cn1cnn(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1=O ZINC000833957075 582207675 /nfs/dbraw/zinc/20/76/75/582207675.db2.gz QLYIZZPKBVRCQI-MRVPVSSYSA-N -1 0 294.271 -1.704 20 30 CAEDRM N#CC1(NC(=O)CNC(=O)CNC(=O)[O-])CCC1 ZINC000833964134 582207828 /nfs/dbraw/zinc/20/78/28/582207828.db2.gz ZWIAYPOXJBMJOC-UHFFFAOYSA-N -1 0 254.246 -1.067 20 30 CAEDRM N#C[C@]1(NC(=O)CNC(=O)CNC(=O)[O-])CCSC1 ZINC000833964137 582207835 /nfs/dbraw/zinc/20/78/35/582207835.db2.gz ZXICBAQNFDVURR-SNVBAGLBSA-N -1 0 286.313 -1.114 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1(NC(N)=O)CC1 ZINC000833965505 582207845 /nfs/dbraw/zinc/20/78/45/582207845.db2.gz BPNOAKZKBZBIQK-SSDOTTSWSA-N -1 0 281.272 -1.098 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCNC(N)=O ZINC000833968573 582207848 /nfs/dbraw/zinc/20/78/48/582207848.db2.gz WKGXZHLUVHGALU-ZETCQYMHSA-N -1 0 269.261 -1.241 20 30 CAEDRM N#CCN(CC#N)C(=O)CNC(=O)CNC(=O)[O-] ZINC000833967855 582207868 /nfs/dbraw/zinc/20/78/68/582207868.db2.gz VDUCEVXTANNSQZ-UHFFFAOYSA-N -1 0 253.218 -1.754 20 30 CAEDRM O=C([O-])N[C@@H]1CCCC1N=NC1=NC(=O)C(=O)N1 ZINC000834170121 582209081 /nfs/dbraw/zinc/20/90/81/582209081.db2.gz RXQBTUQXGDOFEV-SCSAIBSYSA-N -1 0 253.218 -1.236 20 30 CAEDRM O=C([O-])N1CCC(N=NC2=NC(=O)C(=O)N2)CC1 ZINC000834288324 582210104 /nfs/dbraw/zinc/21/01/04/582210104.db2.gz FFLJBSSTWJNMFT-UHFFFAOYSA-N -1 0 253.218 -1.282 20 30 CAEDRM C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000835184202 582211596 /nfs/dbraw/zinc/21/15/96/582211596.db2.gz FQLQNWFJUJYGKM-VIFPVBQESA-N -1 0 276.314 -1.282 20 30 CAEDRM C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000835184196 582211623 /nfs/dbraw/zinc/21/16/23/582211623.db2.gz FQLQNWFJUJYGKM-SECBINFHSA-N -1 0 276.314 -1.282 20 30 CAEDRM C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000835218509 582211651 /nfs/dbraw/zinc/21/16/51/582211651.db2.gz JELJOSDHWHJETQ-VIFPVBQESA-N -1 0 278.330 -1.036 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)N[C@@H]2CCSC2=O)c1=O ZINC000842613755 582212922 /nfs/dbraw/zinc/21/29/22/582212922.db2.gz CZGZIUFZASDOGC-SSDOTTSWSA-N -1 0 294.292 -1.443 20 30 CAEDRM CCn1ncc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)n1 ZINC000842616255 582212930 /nfs/dbraw/zinc/21/29/30/582212930.db2.gz QXIUBKUCQDRQIC-UHFFFAOYSA-N -1 0 274.240 -1.097 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)N[C@H]2CCSC2=O)c1=O ZINC000842613756 582212952 /nfs/dbraw/zinc/21/29/52/582212952.db2.gz CZGZIUFZASDOGC-ZETCQYMHSA-N -1 0 294.292 -1.443 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000842781060 582213241 /nfs/dbraw/zinc/21/32/41/582213241.db2.gz WYDRLEAGZZLHSA-MRVPVSSYSA-N -1 0 294.354 -1.510 20 30 CAEDRM C#C[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867340567 582215723 /nfs/dbraw/zinc/21/57/23/582215723.db2.gz BCXVCAWSIJTMPP-WJWGPLDTSA-N -1 0 254.333 -1.067 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000844794958 582217310 /nfs/dbraw/zinc/21/73/10/582217310.db2.gz KPIPKGJACKTNBM-HLTSFMKQSA-N -1 0 291.329 -1.015 20 30 CAEDRM CCO[N-]C(=O)CNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000846002150 582220737 /nfs/dbraw/zinc/22/07/37/582220737.db2.gz DWHZGHCBVNPTTH-MRVPVSSYSA-N -1 0 278.334 -1.020 20 30 CAEDRM CCO[N-]C(=O)CNS(=O)(=O)N(C)CCC#N ZINC000846001676 582220750 /nfs/dbraw/zinc/22/07/50/582220750.db2.gz DQPCVSXHABPSPU-UHFFFAOYSA-N -1 0 264.307 -1.266 20 30 CAEDRM CCO[N-]C(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000846002677 582220806 /nfs/dbraw/zinc/22/08/06/582220806.db2.gz KOFRTHKVFFBEGC-MRVPVSSYSA-N -1 0 292.317 -1.887 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000846119032 582221134 /nfs/dbraw/zinc/22/11/34/582221134.db2.gz VVASCSJWPGLMQC-ZETCQYMHSA-N -1 0 262.287 -1.223 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847670116 582224735 /nfs/dbraw/zinc/22/47/35/582224735.db2.gz SXLNMIPMCDHZNQ-UHFFFAOYSA-N -1 0 274.302 -1.478 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847698553 582224749 /nfs/dbraw/zinc/22/47/49/582224749.db2.gz DCDAISXCVDYHGK-UHFFFAOYSA-N -1 0 286.313 -1.640 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848608525 582226579 /nfs/dbraw/zinc/22/65/79/582226579.db2.gz AHGUIMKRBAPQAQ-BDAKNGLRSA-N -1 0 268.269 -1.316 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848608527 582226582 /nfs/dbraw/zinc/22/65/82/582226582.db2.gz AHGUIMKRBAPQAQ-IUCAKERBSA-N -1 0 268.269 -1.316 20 30 CAEDRM C#CCOCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848610440 582226585 /nfs/dbraw/zinc/22/65/85/582226585.db2.gz LUNCLJGQYRQLKE-MRVPVSSYSA-N -1 0 256.258 -1.411 20 30 CAEDRM C#CCOCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848610445 582226600 /nfs/dbraw/zinc/22/66/00/582226600.db2.gz LUNCLJGQYRQLKE-QMMMGPOBSA-N -1 0 256.258 -1.411 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N(C)CCOC ZINC000849218882 582227588 /nfs/dbraw/zinc/22/75/88/582227588.db2.gz ADBWSPHBDZPAAI-UHFFFAOYSA-N -1 0 264.303 -1.171 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC ZINC000849219007 582227646 /nfs/dbraw/zinc/22/76/46/582227646.db2.gz FILXNFNUGBBPOC-UHFFFAOYSA-N -1 0 292.313 -1.254 20 30 CAEDRM C#CCN1CCN(C(=O)CN(C)Cc2n[n-]c(=O)o2)CC1 ZINC000852188328 582230236 /nfs/dbraw/zinc/23/02/36/582230236.db2.gz HWUYSGWVXHEIOY-UHFFFAOYSA-N -1 0 293.327 -1.016 20 30 CAEDRM C#CCN1CCC[C@H]1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854611005 582235050 /nfs/dbraw/zinc/23/50/50/582235050.db2.gz QXHLJCXMQNFMQX-ZETCQYMHSA-N -1 0 251.246 -1.143 20 30 CAEDRM C[C@H]1C(=O)N(N=Cc2cn(CC(=O)[O-])nn2)C(=O)N1C ZINC000857215102 582238700 /nfs/dbraw/zinc/23/87/00/582238700.db2.gz ORPYWOWJJXAXCN-LURJTMIESA-N -1 0 280.244 -1.021 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000860720766 582243211 /nfs/dbraw/zinc/24/32/11/582243211.db2.gz MKGAUBDVTPJHNJ-SFYZADRCSA-N -1 0 274.298 -1.511 20 30 CAEDRM C#CC[C@@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000882340177 582271150 /nfs/dbraw/zinc/27/11/50/582271150.db2.gz PPGJWKIAVSYAFT-ZETCQYMHSA-N -1 0 254.333 -1.067 20 30 CAEDRM C[C@@H](C(=O)[O-])N(C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000262191901 597485681 /nfs/dbraw/zinc/48/56/81/597485681.db2.gz YVDCYDMUQBKCDM-LURJTMIESA-N -1 0 266.257 -1.135 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000043703990 599976276 /nfs/dbraw/zinc/97/62/76/599976276.db2.gz OJEDVQNFEHSRDU-QMMMGPOBSA-N -1 0 271.273 -1.216 20 30 CAEDRM C=CCNC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000071246722 599982478 /nfs/dbraw/zinc/98/24/78/599982478.db2.gz PTULKZMXMPNNGC-MRVPVSSYSA-N -1 0 255.274 -1.436 20 30 CAEDRM N#CCCCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000739072643 600339758 /nfs/dbraw/zinc/33/97/58/600339758.db2.gz KWBPPRJRYVKILW-QMMMGPOBSA-N -1 0 289.313 -1.105 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CN1CCS(=O)(=O)CC1 ZINC000739078283 600400596 /nfs/dbraw/zinc/40/05/96/600400596.db2.gz CWTFLPOYJALIPP-UHFFFAOYSA-N -1 0 289.313 -1.846 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)Cn1cccnc1=O ZINC000739078248 600409163 /nfs/dbraw/zinc/40/91/63/600409163.db2.gz CFZFZOJGZMQZBC-UHFFFAOYSA-N -1 0 250.214 -1.320 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CCN1CCCS1(=O)=O ZINC000739077155 600409218 /nfs/dbraw/zinc/40/92/18/600409218.db2.gz JDSDJPRBBVIELQ-UHFFFAOYSA-N -1 0 289.313 -1.151 20 30 CAEDRM C#CCN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1 ZINC000383865717 601285270 /nfs/dbraw/zinc/28/52/70/601285270.db2.gz SVXMCYLFTUMIAL-UHFFFAOYSA-N -1 0 277.284 -1.246 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000738462865 602301895 /nfs/dbraw/zinc/30/18/95/602301895.db2.gz CUFBCQGVMFPMGI-SNVBAGLBSA-N -1 0 296.327 -1.464 20 30 CAEDRM C[C@H](C#N)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738600371 603020000 /nfs/dbraw/zinc/02/00/00/603020000.db2.gz HYGHHMHMHMXMHI-SSDOTTSWSA-N -1 0 254.246 -1.163 20 30 CAEDRM C[C@@H](C#N)NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738600376 603020377 /nfs/dbraw/zinc/02/03/77/603020377.db2.gz HYGHHMHMHMXMHI-ZETCQYMHSA-N -1 0 254.246 -1.163 20 30 CAEDRM N#CCNC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740305320 603107889 /nfs/dbraw/zinc/10/78/89/603107889.db2.gz LPSVIWOTCDRIBY-UHFFFAOYSA-N -1 0 298.255 -2.008 20 30 CAEDRM CNC(=O)[C@H](C#N)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739742648 603143083 /nfs/dbraw/zinc/14/30/83/603143083.db2.gz KRGBXKVKTBPQAO-SSDOTTSWSA-N -1 0 282.256 -1.737 20 30 CAEDRM C=CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738496512 603143975 /nfs/dbraw/zinc/14/39/75/603143975.db2.gz ZSCXPIJHZDSOPU-SFYZADRCSA-N -1 0 272.257 -1.055 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738462799 603144021 /nfs/dbraw/zinc/14/40/21/603144021.db2.gz AXVIGSPJVWLMBQ-YUMQZZPRSA-N -1 0 270.241 -1.608 20 30 CAEDRM C=CCNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000738496511 603144052 /nfs/dbraw/zinc/14/40/52/603144052.db2.gz ZSCXPIJHZDSOPU-JGVFFNPUSA-N -1 0 272.257 -1.055 20 30 CAEDRM C=CCNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738496509 603144057 /nfs/dbraw/zinc/14/40/57/603144057.db2.gz ZSCXPIJHZDSOPU-HTQZYQBOSA-N -1 0 272.257 -1.055 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740307953 603157059 /nfs/dbraw/zinc/15/70/59/603157059.db2.gz DLZNFYWOXWGYCJ-JGVFFNPUSA-N -1 0 285.256 -1.327 20 30 CAEDRM C=CCNC(=O)CNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000393814785 605210020 /nfs/dbraw/zinc/21/00/20/605210020.db2.gz WLQLZZDXZSEGCA-UHFFFAOYSA-N -1 0 279.318 -1.471 20 30 CAEDRM C#CCN1CC([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000970060626 613122123 /nfs/dbraw/zinc/12/21/23/613122123.db2.gz QPZGCGSQJHBQAG-SSDOTTSWSA-N -1 0 277.284 -1.034 20 30 CAEDRM CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CC#N)C1 ZINC000950773104 614799297 /nfs/dbraw/zinc/79/92/97/614799297.db2.gz BGZMXOSUADSVNO-UHFFFAOYSA-N -1 0 278.272 -1.047 20 30 CAEDRM CN(CCCNCC#N)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001276108474 782188993 /nfs/dbraw/zinc/18/89/93/782188993.db2.gz YZDKMSKTZMTLON-UHFFFAOYSA-N -1 0 266.261 -1.142 20 30 CAEDRM N#CCN[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000970582527 656016346 /nfs/dbraw/zinc/01/63/46/656016346.db2.gz WKQAXNTVDHOSLW-SSDOTTSWSA-N -1 0 266.261 -1.597 20 30 CAEDRM N#CCN1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001028662976 656118137 /nfs/dbraw/zinc/11/81/37/656118137.db2.gz DPNWPWDWFGNTNT-ZETCQYMHSA-N -1 0 278.272 -1.142 20 30 CAEDRM C=CCOC[C@H]1NC(=O)N(CC(=O)[N-]OC)C1=O ZINC000925257904 656136335 /nfs/dbraw/zinc/13/63/35/656136335.db2.gz OSRCCYAEFXKNIC-SSDOTTSWSA-N -1 0 257.246 -1.213 20 30 CAEDRM C=CCOC[C@@H]1NC(=O)N(CC(=O)[N-]OC)C1=O ZINC000925257905 656136528 /nfs/dbraw/zinc/13/65/28/656136528.db2.gz OSRCCYAEFXKNIC-ZETCQYMHSA-N -1 0 257.246 -1.213 20 30 CAEDRM C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986487461 656137187 /nfs/dbraw/zinc/13/71/87/656137187.db2.gz KKCDSBIJVXIWPA-RNFRBKRXSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000986487462 656137247 /nfs/dbraw/zinc/13/72/47/656137247.db2.gz KKCDSBIJVXIWPA-RQJHMYQMSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989122387 656147748 /nfs/dbraw/zinc/14/77/48/656147748.db2.gz YFHCCVNXZFWFBJ-NKWVEPMBSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@H]1C[C@H](NCC#N)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989722781 656152286 /nfs/dbraw/zinc/15/22/86/656152286.db2.gz LYNMNXAZTKDWRY-YUMQZZPRSA-N -1 0 280.288 -1.208 20 30 CAEDRM C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989722776 656152298 /nfs/dbraw/zinc/15/22/98/656152298.db2.gz LYNMNXAZTKDWRY-HTQZYQBOSA-N -1 0 280.288 -1.208 20 30 CAEDRM C=CC1(S(=O)(=O)[N-]C(=O)CN2CCNCC2=O)CC1 ZINC000901058867 656175806 /nfs/dbraw/zinc/17/58/06/656175806.db2.gz HCPQMPUAXSNYRS-UHFFFAOYSA-N -1 0 287.341 -1.417 20 30 CAEDRM CC#CCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030618666 656320533 /nfs/dbraw/zinc/32/05/33/656320533.db2.gz QJFJPSPNWLHCHX-UHFFFAOYSA-N -1 0 263.257 -1.280 20 30 CAEDRM C=CCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030618220 656320621 /nfs/dbraw/zinc/32/06/21/656320621.db2.gz BJBVLYBVGCGZIG-UHFFFAOYSA-N -1 0 251.246 -1.117 20 30 CAEDRM C#CCN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030780376 656327654 /nfs/dbraw/zinc/32/76/54/656327654.db2.gz XJRLRQOIDLZIAJ-UHFFFAOYSA-N -1 0 262.269 -1.467 20 30 CAEDRM C#CCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116218 656349840 /nfs/dbraw/zinc/34/98/40/656349840.db2.gz HCRLDBLAUWQSBO-UHFFFAOYSA-N -1 0 286.295 -1.495 20 30 CAEDRM N#CCN1CC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001031116207 656350180 /nfs/dbraw/zinc/35/01/80/656350180.db2.gz GKXPOWFPCMCDHO-UHFFFAOYSA-N -1 0 287.283 -1.605 20 30 CAEDRM C#CCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031315015 656364439 /nfs/dbraw/zinc/36/44/39/656364439.db2.gz QDRYWUOVFXHCSW-UHFFFAOYSA-N -1 0 265.273 -1.487 20 30 CAEDRM C#CCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031316729 656364534 /nfs/dbraw/zinc/36/45/34/656364534.db2.gz PHEMSYNTGURRKJ-UHFFFAOYSA-N -1 0 251.246 -1.877 20 30 CAEDRM C#CCN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031817427 656395444 /nfs/dbraw/zinc/39/54/44/656395444.db2.gz FJBQYEOWPILBST-UHFFFAOYSA-N -1 0 263.257 -1.422 20 30 CAEDRM N#CCNC1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000997205439 656503474 /nfs/dbraw/zinc/50/34/74/656503474.db2.gz COGUNZATGOMWEY-UHFFFAOYSA-N -1 0 280.288 -1.207 20 30 CAEDRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCN(CC#N)C1 ZINC001033615908 656722540 /nfs/dbraw/zinc/72/25/40/656722540.db2.gz DBIGSPRTYXRHIA-MRVPVSSYSA-N -1 0 280.288 -1.254 20 30 CAEDRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCN(CC#N)C1 ZINC001033615909 656723903 /nfs/dbraw/zinc/72/39/03/656723903.db2.gz DBIGSPRTYXRHIA-QMMMGPOBSA-N -1 0 280.288 -1.254 20 30 CAEDRM C#CCN1CCO[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035436549 656765361 /nfs/dbraw/zinc/76/53/61/656765361.db2.gz RAFVDNFCXLXNNJ-MRVPVSSYSA-N -1 0 293.283 -1.653 20 30 CAEDRM C=CCN1CCO[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035436295 656766787 /nfs/dbraw/zinc/76/67/87/656766787.db2.gz PGHJDUWACQKQKN-MRVPVSSYSA-N -1 0 295.299 -1.101 20 30 CAEDRM N#CCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949111347 656876046 /nfs/dbraw/zinc/87/60/46/656876046.db2.gz PUBRJAKEIYGSIR-UHFFFAOYSA-N -1 0 264.245 -1.436 20 30 CAEDRM C#C[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000193515890 656888704 /nfs/dbraw/zinc/88/87/04/656888704.db2.gz VVBSLMQJDKEXAF-ZCFIWIBFSA-N -1 0 294.292 -1.089 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000092479934 656912603 /nfs/dbraw/zinc/91/26/03/656912603.db2.gz QWHWUKANENCTDQ-UHFFFAOYSA-N -1 0 299.308 -1.168 20 30 CAEDRM CC#CC[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000650412675 657024645 /nfs/dbraw/zinc/02/46/45/657024645.db2.gz VMVYYYJTCDNHGS-SSDOTTSWSA-N -1 0 272.286 -1.040 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110400 657160941 /nfs/dbraw/zinc/16/09/41/657160941.db2.gz SJYLZBWXEJAYEW-LURJTMIESA-N -1 0 264.245 -1.390 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110186 657198644 /nfs/dbraw/zinc/19/86/44/657198644.db2.gz IUQJIKGPENDMGZ-QMMMGPOBSA-N -1 0 265.273 -1.487 20 30 CAEDRM N#CCN1CC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038467367 782249173 /nfs/dbraw/zinc/24/91/73/782249173.db2.gz ZWKZCILJCGMMHI-LURJTMIESA-N -1 0 264.245 -1.390 20 30 CAEDRM N#CCN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038467370 782249504 /nfs/dbraw/zinc/24/95/04/782249504.db2.gz ZWKZCILJCGMMHI-ZCFIWIBFSA-N -1 0 264.245 -1.390 20 30 CAEDRM C#CCN1CC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC001038582650 782250597 /nfs/dbraw/zinc/25/05/97/782250597.db2.gz HBYJBEJBARRZEJ-VIFPVBQESA-N -1 0 276.296 -1.077 20 30 CAEDRM C#CCN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001043232489 782361280 /nfs/dbraw/zinc/36/12/80/782361280.db2.gz IATUGEDUYPBRIB-UHFFFAOYSA-N -1 0 263.257 -1.328 20 30 CAEDRM CC#CCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001044236579 782393385 /nfs/dbraw/zinc/39/33/85/782393385.db2.gz OXMLFSJQPQGIMX-UHFFFAOYSA-N -1 0 279.300 -1.145 20 30 CAEDRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047609873 782497517 /nfs/dbraw/zinc/49/75/17/782497517.db2.gz MSJIHDYKHFOOQP-YUMQZZPRSA-N -1 0 296.287 -2.284 20 30 CAEDRM N#CCN1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC001049190187 782531183 /nfs/dbraw/zinc/53/11/83/782531183.db2.gz JKGRKIROPOYUSU-DTORHVGOSA-N -1 0 292.299 -1.397 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2CCOC2)c(=O)[n-]c1=O ZINC001137744980 779727533 /nfs/dbraw/zinc/72/75/33/779727533.db2.gz WIXKWNBQVXFERA-MRVPVSSYSA-N -1 0 264.241 -1.274 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CCOC2)c(=O)[n-]c1=O ZINC001137744981 779727636 /nfs/dbraw/zinc/72/76/36/779727636.db2.gz WIXKWNBQVXFERA-QMMMGPOBSA-N -1 0 264.241 -1.274 20 30 CAEDRM N#Cc1cn(CC(=O)Nn2cnnc2)c(=O)[n-]c1=O ZINC001137843700 779728428 /nfs/dbraw/zinc/72/84/28/779728428.db2.gz MJRNPAUXEDZRDJ-UHFFFAOYSA-N -1 0 261.201 -1.818 20 30 CAEDRM CS(=O)(=O)CS(=O)(=O)[N-][C@H](C#N)C(N)=O ZINC001260594675 780652755 /nfs/dbraw/zinc/65/27/55/780652755.db2.gz BLHMHRHQPWZROM-SCSAIBSYSA-N -1 0 255.277 -2.715 20 30 CAEDRM C#CCOC[C@@H](O)C[NH2+]CCOP(=O)([O-])[O-] ZINC001251887844 780578481 /nfs/dbraw/zinc/57/84/81/780578481.db2.gz KQCHDSUTMZKZIB-QMMMGPOBSA-N -1 0 253.191 -1.304 20 30 CAEDRM C#CC[C@H]([N-]S(=O)(=O)CS(C)(=O)=O)C(=O)OC ZINC001260595665 780653133 /nfs/dbraw/zinc/65/31/33/780653133.db2.gz DRLJIFLQTULGSI-ZETCQYMHSA-N -1 0 283.327 -1.527 20 30 CAEDRM C#CC[C@H]([N-]S(=O)(=O)CC(=O)OC)C(=O)OC ZINC001259031562 780639221 /nfs/dbraw/zinc/63/92/21/780639221.db2.gz QBJLZSZEDSRCIU-ZETCQYMHSA-N -1 0 263.271 -1.356 20 30 CAEDRM N#Cc1c(N)nn(C(=O)[C@@H]2CC(=O)N=C([O-])N2)c1N ZINC001144324682 781448879 /nfs/dbraw/zinc/44/88/79/781448879.db2.gz ZBIZLRSODWOVMY-BYPYZUCNSA-N -1 0 263.217 -1.843 20 30 CAEDRM CC(=O)N[C@@H](CS)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001144417018 781454142 /nfs/dbraw/zinc/45/41/42/781454142.db2.gz BOJVVFXYCBGEMU-MHTLYPKNSA-N -1 0 277.327 -1.154 20 30 CAEDRM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCC#N ZINC001054862968 782602951 /nfs/dbraw/zinc/60/29/51/782602951.db2.gz NVEMYHYVNVRFBJ-RQJHMYQMSA-N -1 0 278.272 -1.144 20 30 CAEDRM C=CCN1CCOC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051010690 782684547 /nfs/dbraw/zinc/68/45/47/782684547.db2.gz XDGWOIXIRDHVDR-MRVPVSSYSA-N -1 0 295.299 -1.101 20 30 CAEDRM C=CCNC(=O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000393827382 782759607 /nfs/dbraw/zinc/75/96/07/782759607.db2.gz RJFPEOCJCCKTQG-UHFFFAOYSA-N -1 0 267.245 -1.605 20 30 CAEDRM N#CCNC1CC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001100919633 782862540 /nfs/dbraw/zinc/86/25/40/782862540.db2.gz FXZADDKHXQNMAO-UHFFFAOYSA-N -1 0 280.288 -1.303 20 30 CAEDRM C#CCNC(=O)c1c(C)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O ZINC001116531176 782901067 /nfs/dbraw/zinc/90/10/67/782901067.db2.gz DFFTVZMHOJTEID-ZJUUUORDSA-N -1 0 297.336 -1.243 20 30 CAEDRM C#CCNC(=O)c1c(C)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O ZINC001116531173 782901475 /nfs/dbraw/zinc/90/14/75/782901475.db2.gz DFFTVZMHOJTEID-NXEZZACHSA-N -1 0 297.336 -1.243 20 30 CAEDRM N#C[C@@H]1CN(CCS(=O)(=O)CC(=O)[O-])CCO1 ZINC000310213285 967941941 /nfs/dbraw/zinc/94/19/41/967941941.db2.gz VHILZVFQJMUICQ-MRVPVSSYSA-N -1 0 262.287 -1.290 20 30 CAEDRM COC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)[C@@H](C)O ZINC000707760898 775193504 /nfs/dbraw/zinc/19/35/04/775193504.db2.gz DSDGFXFPNBATCJ-FSDSQADBSA-N -1 0 250.276 -1.260 20 30 CAEDRM COCCOCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001167523424 775200071 /nfs/dbraw/zinc/20/00/71/775200071.db2.gz CXSRZRMXJGEAIX-UHFFFAOYSA-N -1 0 296.283 -1.400 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N2)c(=O)[n-]c1=O ZINC001167523650 775200224 /nfs/dbraw/zinc/20/02/24/775200224.db2.gz MXMAWTUEOLJNNN-SSDOTTSWSA-N -1 0 277.240 -2.175 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000309405832 775257251 /nfs/dbraw/zinc/25/72/51/775257251.db2.gz XCQVJVWMZUPUNN-ZCFIWIBFSA-N -1 0 251.264 -1.888 20 30 CAEDRM C[C@@H](C#N)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001267642687 775276373 /nfs/dbraw/zinc/27/63/73/775276373.db2.gz JWNOQVYFYYOLFV-LURJTMIESA-N -1 0 250.262 -1.030 20 30 CAEDRM CC#CC[NH2+][C@H](CO)CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001283824676 775301293 /nfs/dbraw/zinc/30/12/93/775301293.db2.gz MUQTUKBLJYPGBE-QMMMGPOBSA-N -1 0 283.288 -2.221 20 30 CAEDRM CC(C)[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCC#N ZINC001268226366 775386406 /nfs/dbraw/zinc/38/64/06/775386406.db2.gz ILPIDZGUQWLLBS-QMMMGPOBSA-N -1 0 282.304 -1.057 20 30 CAEDRM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nnn[n-]1 ZINC001269576398 775512920 /nfs/dbraw/zinc/51/29/20/775512920.db2.gz KNPIVFKIFRLFDX-NXEZZACHSA-N -1 0 288.311 -1.033 20 30 CAEDRM C#CCN1CC[C@@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576643 775513132 /nfs/dbraw/zinc/51/31/32/775513132.db2.gz RDNPPODXPPYYHB-ZDUSSCGKSA-N -1 0 288.311 -1.031 20 30 CAEDRM C#CCN1CC[C@@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269575958 775513414 /nfs/dbraw/zinc/51/34/14/775513414.db2.gz CLBZHAZSHRWJCM-ZDUSSCGKSA-N -1 0 288.311 -1.174 20 30 CAEDRM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CC#N ZINC001088708118 775691225 /nfs/dbraw/zinc/69/12/25/775691225.db2.gz GJQSWVXNNRMDTH-RQJHMYQMSA-N -1 0 278.272 -1.001 20 30 CAEDRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1[O-] ZINC001076890155 775772341 /nfs/dbraw/zinc/77/23/41/775772341.db2.gz MFFQAOBTPFZBBR-HTQZYQBOSA-N -1 0 265.273 -1.278 20 30 CAEDRM C=CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001077309942 775814386 /nfs/dbraw/zinc/81/43/86/775814386.db2.gz OFKHRYDSMYSURZ-RNFRBKRXSA-N -1 0 281.272 -1.756 20 30 CAEDRM C#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001077309950 775815458 /nfs/dbraw/zinc/81/54/58/775815458.db2.gz ORQKBZOVKYISHH-RNFRBKRXSA-N -1 0 279.256 -2.309 20 30 CAEDRM CO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 ZINC001105729125 775854393 /nfs/dbraw/zinc/85/43/93/775854393.db2.gz HYWGVSQCNSQCGX-RKDXNWHRSA-N -1 0 279.300 -1.306 20 30 CAEDRM C=CCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001083694903 775914737 /nfs/dbraw/zinc/91/47/37/775914737.db2.gz YFHHZYGVSRPAHH-ZJUUUORDSA-N -1 0 294.311 -1.553 20 30 CAEDRM C#CCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001083694624 775915399 /nfs/dbraw/zinc/91/53/99/775915399.db2.gz IWHIZRRBQJOVGC-ZJUUUORDSA-N -1 0 292.295 -2.106 20 30 CAEDRM N#CCN1CC[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234379026 775945604 /nfs/dbraw/zinc/94/56/04/775945604.db2.gz QPFAZAFIPKXSCN-ZCFIWIBFSA-N -1 0 278.220 -2.315 20 30 CAEDRM CC[C@@H]1OC(C)=C(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1=O ZINC001234379684 775945986 /nfs/dbraw/zinc/94/59/86/775945986.db2.gz YWXWYGVVUAQEBR-YFKPBYRVSA-N -1 0 294.215 -1.303 20 30 CAEDRM N#CCN1CC[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234379025 775946356 /nfs/dbraw/zinc/94/63/56/775946356.db2.gz QPFAZAFIPKXSCN-LURJTMIESA-N -1 0 278.220 -2.315 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001090389824 776426272 /nfs/dbraw/zinc/42/62/72/776426272.db2.gz ZSNJYHMJHXSRQV-IONNQARKSA-N -1 0 250.262 -1.507 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001090399496 776456770 /nfs/dbraw/zinc/45/67/70/776456770.db2.gz OFOJEBMHPACLIV-HTQZYQBOSA-N -1 0 293.283 -1.919 20 30 CAEDRM N#CCN1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001084799142 776461489 /nfs/dbraw/zinc/46/14/89/776461489.db2.gz ULDFPLCKVVWFMU-RKDXNWHRSA-N -1 0 292.299 -1.254 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001090400478 776467242 /nfs/dbraw/zinc/46/72/42/776467242.db2.gz VPPHMIITMPGDJB-NKWVEPMBSA-N -1 0 294.271 -2.029 20 30 CAEDRM CN(C[C@@H]1CCN1CC#N)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085699832 776491369 /nfs/dbraw/zinc/49/13/69/776491369.db2.gz XBKHVNMQTVAHFM-ZETCQYMHSA-N -1 0 278.272 -1.047 20 30 CAEDRM CN(C[C@H]1CCN1CC#N)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085699831 776491911 /nfs/dbraw/zinc/49/19/11/776491911.db2.gz XBKHVNMQTVAHFM-SSDOTTSWSA-N -1 0 278.272 -1.047 20 30 CAEDRM N#C[C@H](Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C(N)=O ZINC001170537224 776683756 /nfs/dbraw/zinc/68/37/56/776683756.db2.gz UCEPQKJAOUHKJX-ZETCQYMHSA-N -1 0 280.265 -1.092 20 30 CAEDRM N#CCNCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001134938968 776833120 /nfs/dbraw/zinc/83/31/20/776833120.db2.gz MJJGZVRYFAAZCF-UHFFFAOYSA-N -1 0 260.257 -1.134 20 30 CAEDRM CNC(=O)CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001292966758 778049963 /nfs/dbraw/zinc/04/99/63/778049963.db2.gz SBQGERUEDFGLEN-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM C=CCNC(=O)CNC(=O)CCCc1nnn[n-]1 ZINC001295644796 778084583 /nfs/dbraw/zinc/08/45/83/778084583.db2.gz YHCZPWLRMJIEKW-UHFFFAOYSA-N -1 0 252.278 -1.059 20 30 CAEDRM N#Cc1cn(CCC(=O)NCC#CCO)c(=O)[n-]c1=O ZINC001297016158 778102278 /nfs/dbraw/zinc/10/22/78/778102278.db2.gz JCJKVMXLSHVWPX-UHFFFAOYSA-N -1 0 276.252 -1.677 20 30 CAEDRM N#CCNC(=O)CNC(=O)CCCc1nnn[n-]1 ZINC001297545269 778110733 /nfs/dbraw/zinc/11/07/33/778110733.db2.gz FZRXNTPYYDKHAK-UHFFFAOYSA-N -1 0 251.250 -1.722 20 30 CAEDRM C#C[C@@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001298581555 778122373 /nfs/dbraw/zinc/12/23/73/778122373.db2.gz IWFBFTUTYXMSHG-VIFPVBQESA-N -1 0 272.268 -1.201 20 30 CAEDRM N#Cc1cn(CC(=O)NC/C=C/CO)c(=O)[n-]c1=O ZINC001300565789 778131248 /nfs/dbraw/zinc/13/12/48/778131248.db2.gz BBTJARLLXVZSSJ-OWOJBTEDSA-N -1 0 264.241 -1.515 20 30 CAEDRM COC(=O)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001301211874 778133502 /nfs/dbraw/zinc/13/35/02/778133502.db2.gz PGLOVZIMCAWIIC-UHFFFAOYSA-N -1 0 280.240 -1.500 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1 ZINC001117641439 779539444 /nfs/dbraw/zinc/53/94/44/779539444.db2.gz WXQQKKAQBSCUKW-UHFFFAOYSA-N -1 0 285.285 -2.154 20 30 CAEDRM C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1 ZINC001118095779 779546912 /nfs/dbraw/zinc/54/69/12/779546912.db2.gz YSMGMELQTSPNHA-UHFFFAOYSA-N -1 0 287.301 -1.601 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001118229684 779555907 /nfs/dbraw/zinc/55/59/07/779555907.db2.gz GMFLGFWKFBEQJK-RQJHMYQMSA-N -1 0 265.291 -1.642 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001118229683 779556202 /nfs/dbraw/zinc/55/62/02/779556202.db2.gz GMFLGFWKFBEQJK-BQBZGAKWSA-N -1 0 265.291 -1.642 20 30 CAEDRM C=CC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001118312536 779563378 /nfs/dbraw/zinc/56/33/78/779563378.db2.gz DDBREWKLMLEYIH-RNFRBKRXSA-N -1 0 262.287 -1.176 20 30 CAEDRM C=CC[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001118312623 779564060 /nfs/dbraw/zinc/56/40/60/779564060.db2.gz DDBREWKLMLEYIH-RQJHMYQMSA-N -1 0 262.287 -1.176 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)Cn1cnc(C#N)n1 ZINC001118332435 779565205 /nfs/dbraw/zinc/56/52/05/779565205.db2.gz BSGDAZFHDXKXBN-UHFFFAOYSA-N -1 0 252.234 -1.666 20 30 CAEDRM Cn1cc(C(=O)N[C@@H]2CCCN(O)C2=O)c(=O)[nH]c1=O ZINC001118369256 779566936 /nfs/dbraw/zinc/56/69/36/779566936.db2.gz ZAYCSYCTWMIUCQ-SSDOTTSWSA-N -1 0 282.256 -1.404 20 30 CAEDRM C=CCN(CC=C)C(=O)C(=O)NCC(=O)[N-]OC ZINC001119847026 779626955 /nfs/dbraw/zinc/62/69/55/779626955.db2.gz JLLBIJIRSOJSLC-UHFFFAOYSA-N -1 0 255.274 -1.019 20 30 CAEDRM COCCOCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001142202156 779755709 /nfs/dbraw/zinc/75/57/09/779755709.db2.gz NLIZLSGFPCSRSW-UHFFFAOYSA-N -1 0 296.283 -1.400 20 30 CAEDRM C#CCN(CC#N)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001155222564 779871726 /nfs/dbraw/zinc/87/17/26/779871726.db2.gz LYPCNUIIAJUOMK-UHFFFAOYSA-N -1 0 271.236 -1.194 20 30 CAEDRM C=CCN1CC[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001155858886 779877489 /nfs/dbraw/zinc/87/74/89/779877489.db2.gz RZDMZSVTQVQLJF-MRVPVSSYSA-N -1 0 295.299 -1.065 20 30 CAEDRM Cc1ncc(C#N)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1 ZINC001157067698 779895371 /nfs/dbraw/zinc/89/53/71/779895371.db2.gz NWUOJVDZJAKGGH-XNCJUZBTSA-N -1 0 297.296 -1.107 20 30 CAEDRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCN(O)C1=O ZINC001159323978 779945945 /nfs/dbraw/zinc/94/59/45/779945945.db2.gz FFGQPDKLPUPDRP-SSDOTTSWSA-N -1 0 292.255 -1.823 20 30 CAEDRM CC(=O)[N-]S(=O)(=O)c1ccc(N[C@H](C#N)C(N)=O)nc1 ZINC001159473884 779948581 /nfs/dbraw/zinc/94/85/81/779948581.db2.gz POGOTZLWZQPXRT-MRVPVSSYSA-N -1 0 297.296 -1.304 20 30 CAEDRM CC(=O)[N-]S(=O)(=O)c1ccc(N[C@@H](C#N)C(N)=O)nc1 ZINC001159473885 779948956 /nfs/dbraw/zinc/94/89/56/779948956.db2.gz POGOTZLWZQPXRT-QMMMGPOBSA-N -1 0 297.296 -1.304 20 30 CAEDRM COC[C@H](CCO)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001162576433 780052936 /nfs/dbraw/zinc/05/29/36/780052936.db2.gz PDIKVWJYHXMUTA-ZETCQYMHSA-N -1 0 268.273 -1.245 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H]3C[C@@]3(CO)C2)c(C#N)c1=O ZINC001163075984 780053835 /nfs/dbraw/zinc/05/38/35/780053835.db2.gz GTRFTPITLRWMSZ-KRTXAFLBSA-N -1 0 262.269 -1.236 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](O)[C@@H](F)C2)c(C#N)c1=O ZINC001164332649 780074068 /nfs/dbraw/zinc/07/40/68/780074068.db2.gz JEDLDKXLAZVPTK-JGVFFNPUSA-N -1 0 268.248 -1.146 20 30 CAEDRM N#Cc1cn(CCC(=O)NC/C=C\CO)c(=O)[n-]c1=O ZINC001165981124 780088883 /nfs/dbraw/zinc/08/88/83/780088883.db2.gz SPJCYALPBACDFZ-UPHRSURJSA-N -1 0 278.268 -1.125 20 30 CAEDRM Cn1ncc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)n1 ZINC001166384563 780091172 /nfs/dbraw/zinc/09/11/72/780091172.db2.gz SWSVJBBGXKQBID-UHFFFAOYSA-N -1 0 260.213 -1.580 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CCO[C@@H](C#N)C1 ZINC001205246404 780105122 /nfs/dbraw/zinc/10/51/22/780105122.db2.gz YRQXZVJNOCKGSP-ZETCQYMHSA-N -1 0 251.250 -1.129 20 30 CAEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCC(N)=O ZINC001205856154 780106283 /nfs/dbraw/zinc/10/62/83/780106283.db2.gz COXFYXUBRWKEMJ-SSDOTTSWSA-N -1 0 253.276 -1.053 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CC[C@](O)(CC#N)C1 ZINC001217919337 780163942 /nfs/dbraw/zinc/16/39/42/780163942.db2.gz OPGBDXTXHOIJQL-SNVBAGLBSA-N -1 0 265.277 -1.003 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CC(O)(CC#N)C1 ZINC001217906351 780164607 /nfs/dbraw/zinc/16/46/07/780164607.db2.gz XBZRAVDIUWPIDW-UHFFFAOYSA-N -1 0 251.250 -1.393 20 30 CAEDRM COC(=O)[C@@H](N)CCC(=O)N(O)C(=N)c1nonc1N ZINC001218516935 780167345 /nfs/dbraw/zinc/16/73/45/780167345.db2.gz JXWGGZKVHLBANQ-BYPYZUCNSA-N -1 0 286.248 -1.525 20 30 CAEDRM CCOC(=O)C[C@@H](CC#N)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225833600 780439107 /nfs/dbraw/zinc/43/91/07/780439107.db2.gz MTGHRDOQXGXSOW-ZCFIWIBFSA-N -1 0 281.220 -1.037 20 30 CAEDRM C#C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)C(=O)OCC ZINC001225829860 780439248 /nfs/dbraw/zinc/43/92/48/780439248.db2.gz BWNXQAOJQADISB-RXMQYKEDSA-N -1 0 252.178 -1.708 20 30 CAEDRM N#CCN1CC[C@H](Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225830303 780439385 /nfs/dbraw/zinc/43/93/85/780439385.db2.gz HMWYNMKFRHOZHO-LURJTMIESA-N -1 0 250.210 -1.675 20 30 CAEDRM CC1=C(Oc2c([O-])c(=O)c(=O)c2=O)C(=O)[C@@H](C)O1 ZINC001225833914 780439510 /nfs/dbraw/zinc/43/95/10/780439510.db2.gz NYQUXXXZODUQAI-GSVOUGTGSA-N -1 0 252.178 -1.054 20 30 CAEDRM CN1[C@@H]2C[C@@H](Oc3c([O-])c(=O)c(=O)c3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225830021 780439745 /nfs/dbraw/zinc/43/97/45/780439745.db2.gz CYNFGLPPOSSYEK-SHAHLJALSA-N -1 0 279.248 -1.660 20 30 CAEDRM CCC#C[C@H](C)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234372062 780482958 /nfs/dbraw/zinc/48/29/58/780482958.db2.gz BAALBVYFSNIWLX-LURJTMIESA-N -1 0 250.206 -1.111 20 30 CAEDRM CCC1=C(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C(=O)[C@H](C)O1 ZINC001234376750 780483129 /nfs/dbraw/zinc/48/31/29/780483129.db2.gz SLGHKLMLRYTVEJ-BYPYZUCNSA-N -1 0 294.215 -1.303 20 30 CAEDRM C#C[C@@H]1CCC[C@@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234377810 780484318 /nfs/dbraw/zinc/48/43/18/780484318.db2.gz GHTBWYDDQUUATH-RQJHMYQMSA-N -1 0 262.217 -1.111 20 30 CAEDRM C#C[C@H]1CCC[C@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234377808 780484346 /nfs/dbraw/zinc/48/43/46/780484346.db2.gz GHTBWYDDQUUATH-NKWVEPMBSA-N -1 0 262.217 -1.111 20 30 CAEDRM C#C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccncc1 ZINC001234377688 780484362 /nfs/dbraw/zinc/48/43/62/780484362.db2.gz DORPUNMMRJLLSZ-MRVPVSSYSA-N -1 0 285.211 -1.143 20 30 CAEDRM N#CCN[C@H](CO)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001278164409 780511383 /nfs/dbraw/zinc/51/13/83/780511383.db2.gz DXCLRKUPXNDYJM-QMMMGPOBSA-N -1 0 290.283 -1.774 20 30 CAEDRM C=CCn1cc(CNC(=O)NCC(=O)[N-]OC)nn1 ZINC001252076344 780583694 /nfs/dbraw/zinc/58/36/94/780583694.db2.gz DUCLMWBLUXLQNL-UHFFFAOYSA-N -1 0 268.277 -1.059 20 30 CAEDRM CS(=O)(=O)CCC(=O)N[C@H]1CCN(O)C1=O ZINC001262336688 780708536 /nfs/dbraw/zinc/70/85/36/780708536.db2.gz QOGXNMBTISGTHZ-LURJTMIESA-N -1 0 250.276 -1.473 20 30 CAEDRM C#CCSCCNC(=O)C(=O)NCC(=O)[N-]OC ZINC001262261560 780706880 /nfs/dbraw/zinc/70/68/80/780706880.db2.gz QWHULCJZWGXILN-UHFFFAOYSA-N -1 0 273.314 -1.737 20 30 CAEDRM CS(=O)(=O)CCC(=O)N[C@@H]1CCN(O)C1=O ZINC001262336689 780708281 /nfs/dbraw/zinc/70/82/81/780708281.db2.gz QOGXNMBTISGTHZ-ZCFIWIBFSA-N -1 0 250.276 -1.473 20 30 CAEDRM C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(CC#N)C1 ZINC001282737565 780823405 /nfs/dbraw/zinc/82/34/05/780823405.db2.gz MIHOCTMDVGHSNG-SSDOTTSWSA-N -1 0 280.288 -1.351 20 30 CAEDRM COC1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001136787805 781427422 /nfs/dbraw/zinc/42/74/22/781427422.db2.gz QXZIEEDLIGCQAF-UHFFFAOYSA-N -1 0 264.241 -1.322 20 30 CAEDRM CCNC(=O)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001148392594 781531921 /nfs/dbraw/zinc/53/19/21/781531921.db2.gz ATTZKOIOVVYGCR-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM N#C[C@@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1O)C(N)=O ZINC001148928120 781540598 /nfs/dbraw/zinc/54/05/98/781540598.db2.gz WDDHLBNNKVXNDV-SSDOTTSWSA-N -1 0 299.264 -1.254 20 30 CAEDRM Cn1ccc(C(=O)N[C@H](C#N)C(N)=O)c1CC(=O)[O-] ZINC001177369009 781618236 /nfs/dbraw/zinc/61/82/36/781618236.db2.gz HCWMYLWVBLHVBY-SSDOTTSWSA-N -1 0 264.241 -1.241 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)Cn1nn[n-]c1=S ZINC001177739283 781624476 /nfs/dbraw/zinc/62/44/76/781624476.db2.gz MVMCNRLUHNJTKB-LURJTMIESA-N -1 0 254.275 -1.287 20 30 CAEDRM COC(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)OC ZINC001181379237 781693720 /nfs/dbraw/zinc/69/37/20/781693720.db2.gz PSNQJAFHLAUPIU-UHFFFAOYSA-N -1 0 296.283 -1.054 20 30 CAEDRM NC(=O)[C@H](CO)NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184246058 781765580 /nfs/dbraw/zinc/76/55/80/781765580.db2.gz JEFHOPAKARNRQI-VIFPVBQESA-N -1 0 251.262 -1.001 20 30 CAEDRM N[C@@H]1NCN(C(=O)CCC(=O)C2=CC=C[CH]2)[C@@H]2NCN[C@@H]21 ZINC001184247175 781765933 /nfs/dbraw/zinc/76/59/33/781765933.db2.gz IILHKWANKVVEDM-MCIONIFRSA-N -1 0 290.347 -1.445 20 30 CAEDRM CN(CC(=O)N1CC(C)(C#N)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654985 781788544 /nfs/dbraw/zinc/78/85/44/781788544.db2.gz YJTDSHIWHAOOIK-UHFFFAOYSA-N -1 0 289.232 -1.093 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(CC(N)=O)C2)c(C#N)c1=O ZINC001186231214 781805034 /nfs/dbraw/zinc/80/50/34/781805034.db2.gz XPRFUYCEKCMCMO-UHFFFAOYSA-N -1 0 263.257 -1.743 20 30 CAEDRM CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(N)=O ZINC001186550120 781808744 /nfs/dbraw/zinc/80/87/44/781808744.db2.gz HTBJZFHURLJWPQ-ZCFIWIBFSA-N -1 0 251.246 -1.379 20 30 CAEDRM C[C@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2C#N)C(=O)N1S(=O)(=O)[O-] ZINC001186982725 781814024 /nfs/dbraw/zinc/81/40/24/781814024.db2.gz WCSHHOKKJDAFHJ-WNJXEPBRSA-N -1 0 273.270 -1.336 20 30 CAEDRM COC(=O)[C@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001187062466 781814612 /nfs/dbraw/zinc/81/46/12/781814612.db2.gz CJEOVJFZDCIAJY-LURJTMIESA-N -1 0 266.257 -1.057 20 30 CAEDRM Cc1nc(C(=O)N([O-])C(=N)c2nonc2N)n[nH]1 ZINC001189858766 781866012 /nfs/dbraw/zinc/86/60/12/781866012.db2.gz GOMWTAOVKYNJLW-UHFFFAOYSA-N -1 0 252.194 -1.065 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)NCCNS(C)(=O)=O ZINC000092466657 883985165 /nfs/dbraw/zinc/98/51/65/883985165.db2.gz OSZIAHOSGABDTF-UHFFFAOYSA-N -1 0 279.318 -1.182 20 30 CAEDRM CNC(=O)NCCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001307148379 884119631 /nfs/dbraw/zinc/11/96/31/884119631.db2.gz BNNUKAUZGQEYCF-UHFFFAOYSA-N -1 0 266.261 -1.714 20 30 CAEDRM C[C@@H](O)[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001307178203 884120365 /nfs/dbraw/zinc/12/03/65/884120365.db2.gz FFXYURNRESDARK-IYSWYEEDSA-N -1 0 254.246 -1.901 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC001326316783 884783708 /nfs/dbraw/zinc/78/37/08/884783708.db2.gz ZWDSFAHNLDSGJJ-UHFFFAOYSA-N -1 0 286.313 -1.199 20 30 CAEDRM N#Cc1ncn(CC(=O)N[C@]2(C(=O)[O-])CCOC2)n1 ZINC001327945394 884943984 /nfs/dbraw/zinc/94/39/84/884943984.db2.gz KDCMOMZUGWQDME-SNVBAGLBSA-N -1 0 265.229 -1.490 20 30 CAEDRM C#C[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001328723486 885015213 /nfs/dbraw/zinc/01/52/13/885015213.db2.gz GCPRFXFCOXKGPG-ZETCQYMHSA-N -1 0 261.241 -1.819 20 30 CAEDRM C=C[C@H](C)O[N-]C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC001332629091 885429352 /nfs/dbraw/zinc/42/93/52/885429352.db2.gz ZHXCCQYDCQABII-NKWVEPMBSA-N -1 0 279.318 -1.598 20 30 CAEDRM C=C[C@@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335002714 885576649 /nfs/dbraw/zinc/57/66/49/885576649.db2.gz KAVSXIJFOSJMFU-ZWNOBZJWSA-N -1 0 284.312 -1.079 20 30 CAEDRM CNC(=O)CNC(=S)NN=Cc1cn(CC(=O)[O-])nn1 ZINC001340606700 885807730 /nfs/dbraw/zinc/80/77/30/885807730.db2.gz GBBZDNDPBNXDQU-UHFFFAOYSA-N -1 0 299.316 -2.093 20 30 CAEDRM C[C@H](O)[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001307178201 884119504 /nfs/dbraw/zinc/11/95/04/884119504.db2.gz FFXYURNRESDARK-CAHLUQPWSA-N -1 0 254.246 -1.901 20 30 CAEDRM C[C@@H]1C(=O)NCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001306981382 884119935 /nfs/dbraw/zinc/11/99/35/884119935.db2.gz FMADWLDNTGFMHC-ZCFIWIBFSA-N -1 0 263.257 -1.730 20 30 CAEDRM CO[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1O ZINC001307120555 884120006 /nfs/dbraw/zinc/12/00/06/884120006.db2.gz MYBGHJZFIXSRDJ-HTQZYQBOSA-N -1 0 266.257 -1.859 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C#N)c1=O ZINC001307211137 884121488 /nfs/dbraw/zinc/12/14/88/884121488.db2.gz OHVNOLIAWVSCNC-YDNVCLBTSA-N -1 0 266.257 -1.759 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)NCC(=O)NCC#N ZINC001310737390 884137901 /nfs/dbraw/zinc/13/79/01/884137901.db2.gz LTBIQRTZOZDGHD-UHFFFAOYSA-N -1 0 252.238 -2.124 20 30 CAEDRM C#CCN1CCO[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001319331170 884320760 /nfs/dbraw/zinc/32/07/60/884320760.db2.gz XBDTVMHGGVFYIV-SECBINFHSA-N -1 0 295.299 -1.861 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)c1n[nH]c(=O)[n-]1 ZINC001320967246 884457798 /nfs/dbraw/zinc/45/77/98/884457798.db2.gz DMKJIYGDGAREEX-UHFFFAOYSA-N -1 0 260.275 -1.159 20 30 CAEDRM Cn1cc(S(=O)(=O)[N-]N=CC2CC2)c(=O)n(C)c1=O ZINC001322999075 884592566 /nfs/dbraw/zinc/59/25/66/884592566.db2.gz HMGIMRPWGIVZCA-UHFFFAOYSA-N -1 0 286.313 -1.242 20 30 CAEDRM C#CCCN1CC(O)(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001325235943 884722881 /nfs/dbraw/zinc/72/28/81/884722881.db2.gz FLBOFVAJUNSYIA-UHFFFAOYSA-N -1 0 293.283 -1.917 20 30 CAEDRM C=CCn1cc(CNC(=O)C(=O)[N-]OCCOC)nn1 ZINC001326249766 884776261 /nfs/dbraw/zinc/77/62/61/884776261.db2.gz HGGUBBOPARXKQM-UHFFFAOYSA-N -1 0 283.288 -1.226 20 30 CAEDRM C=CCO[C@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OCC)C1 ZINC001326714915 884821351 /nfs/dbraw/zinc/82/13/51/884821351.db2.gz BDNPUHVTHSXNHW-JTQLQIEISA-N -1 0 299.327 -1.026 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001326714919 884822158 /nfs/dbraw/zinc/82/21/58/884822158.db2.gz BIHDETRQCAZSKV-LLVKDONJSA-N -1 0 286.263 -1.366 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001326714920 884823592 /nfs/dbraw/zinc/82/35/92/884823592.db2.gz BIHDETRQCAZSKV-NSHDSACASA-N -1 0 286.263 -1.366 20 30 CAEDRM O=C1[N-]C(=O)C(=NNCCCn2ccnc2)C(=O)N1 ZINC001326784639 884832118 /nfs/dbraw/zinc/83/21/18/884832118.db2.gz XWRRDZKCLLVLMW-UHFFFAOYSA-N -1 0 264.245 -1.415 20 30 CAEDRM C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)nn1 ZINC001326984111 884849520 /nfs/dbraw/zinc/84/95/20/884849520.db2.gz IVSMONGKZJBYCB-UHFFFAOYSA-N -1 0 273.274 -1.991 20 30 CAEDRM C#CCSCCNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001327527386 884896507 /nfs/dbraw/zinc/89/65/07/884896507.db2.gz RRTOZNQCDDHNOD-UHFFFAOYSA-N -1 0 287.341 -1.347 20 30 CAEDRM C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])nn1 ZINC001327682102 884922298 /nfs/dbraw/zinc/92/22/98/884922298.db2.gz KJVVWRZAOHNOSA-MRVPVSSYSA-N -1 0 295.299 -1.083 20 30 CAEDRM N#Cc1cncn([C@H]2CCN(CC(=O)[O-])C2=O)c1=O ZINC001327952437 884942335 /nfs/dbraw/zinc/94/23/35/884942335.db2.gz SYDJIQDFMIGWSD-QMMMGPOBSA-N -1 0 262.225 -1.027 20 30 CAEDRM N#Cc1cncn([C@@H]2CCN(CC(=O)[O-])C2=O)c1=O ZINC001327952436 884942355 /nfs/dbraw/zinc/94/23/55/884942355.db2.gz SYDJIQDFMIGWSD-MRVPVSSYSA-N -1 0 262.225 -1.027 20 30 CAEDRM C#CCCN(CCOC)C(=O)C(=O)NCC(=O)[N-]OCC ZINC001328529330 884996911 /nfs/dbraw/zinc/99/69/11/884996911.db2.gz GNXUNSFUZQJQHK-UHFFFAOYSA-N -1 0 299.327 -1.331 20 30 CAEDRM C=C[C@@H](COC)NC(=O)C(=O)NCC(=O)[N-]OCC ZINC001328945939 885036811 /nfs/dbraw/zinc/03/68/11/885036811.db2.gz FVVGJYNVERZZPW-QMMMGPOBSA-N -1 0 273.289 -1.513 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001329862800 885149733 /nfs/dbraw/zinc/14/97/33/885149733.db2.gz JQKCAMNCNBQETC-QMMMGPOBSA-N -1 0 284.272 -2.079 20 30 CAEDRM COCC#CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001330315270 885188687 /nfs/dbraw/zinc/18/86/87/885188687.db2.gz DTUZHHDLMOPVBZ-MRVPVSSYSA-N -1 0 251.246 -1.251 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCNC1=O ZINC001331452465 885279318 /nfs/dbraw/zinc/27/93/18/885279318.db2.gz FMDJQHMWDOHSKV-MRVPVSSYSA-N -1 0 258.299 -1.018 20 30 CAEDRM CC#CC[C@H](CO)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001332494882 885416204 /nfs/dbraw/zinc/41/62/04/885416204.db2.gz XQHGNGOUYSQIME-ZCFIWIBFSA-N -1 0 252.230 -1.213 20 30 CAEDRM C=C[C@H](C)O[N-]C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC001332629089 885430258 /nfs/dbraw/zinc/43/02/58/885430258.db2.gz ZHXCCQYDCQABII-BQBZGAKWSA-N -1 0 279.318 -1.598 20 30 CAEDRM C=C[C@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001335002712 885576690 /nfs/dbraw/zinc/57/66/90/885576690.db2.gz KAVSXIJFOSJMFU-GXFFZTMASA-N -1 0 284.312 -1.079 20 30 CAEDRM C=CCO[C@H]1CCN(C(=O)C(=O)NCC(=O)[N-]OC)C1 ZINC001335144980 885585561 /nfs/dbraw/zinc/58/55/61/885585561.db2.gz OYCAOTJBSZNHQA-VIFPVBQESA-N -1 0 285.300 -1.416 20 30 CAEDRM N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1COC(=O)N1 ZINC001335174201 885586865 /nfs/dbraw/zinc/58/68/65/885586865.db2.gz XANRVCWWCYKUOL-LURJTMIESA-N -1 0 261.259 -1.155 20 30 CAEDRM C#C[C@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001337908648 885728659 /nfs/dbraw/zinc/72/86/59/885728659.db2.gz COAWVKKANGBKAU-QMMMGPOBSA-N -1 0 260.253 -1.216 20 30 CAEDRM C=CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC001339864734 885780966 /nfs/dbraw/zinc/78/09/66/885780966.db2.gz HBCFYBUPEMDBCO-MRVPVSSYSA-N -1 0 271.273 -1.616 20 30 CAEDRM COc1cc(C)nc(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)n1 ZINC001343847225 885926690 /nfs/dbraw/zinc/92/66/90/885926690.db2.gz UMARDMZUJMTYEX-UHFFFAOYSA-N -1 0 278.228 -1.072 20 30 CAEDRM CCn1ncn(N=Cc2cn(CC(=O)[O-])nn2)c1=O ZINC001343846856 885927056 /nfs/dbraw/zinc/92/70/56/885927056.db2.gz HMBMNLZSRBNZAS-UHFFFAOYSA-N -1 0 265.233 -1.377 20 30 CAEDRM Cn1nncc1NN=Cc1cn(CC(=O)[O-])nn1 ZINC001343890307 885927207 /nfs/dbraw/zinc/92/72/07/885927207.db2.gz NAUWUUKMPVYQGR-UHFFFAOYSA-N -1 0 250.222 -1.063 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)NCCn1cnc(C#N)n1 ZINC001346181914 885988815 /nfs/dbraw/zinc/98/88/15/885988815.db2.gz LFIOLLLRSPPYIH-UHFFFAOYSA-N -1 0 281.276 -1.483 20 30 CAEDRM C#C[C@H](NC(=O)C(=O)NCC(=O)[N-]OCC)[C@@H]1CCCO1 ZINC001346384171 885999435 /nfs/dbraw/zinc/99/94/35/885999435.db2.gz PTEIMSLCDDPEIS-UWVGGRQHSA-N -1 0 297.311 -1.533 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(C#N)CC1 ZINC001346414440 886005642 /nfs/dbraw/zinc/00/56/42/886005642.db2.gz HJDMYYGMNXYZGE-UHFFFAOYSA-N -1 0 282.300 -1.068 20 30 CAEDRM C#CC1(O)CCN(C(=O)NCC(=O)[N-]OC)CC1 ZINC001346832638 886016758 /nfs/dbraw/zinc/01/67/58/886016758.db2.gz KFCHRNOTRMJWDN-UHFFFAOYSA-N -1 0 255.274 -1.166 20 30 CAEDRM CN(CCC#N)S(=O)(=O)NCc1nc(=O)o[n-]1 ZINC001347336383 886035637 /nfs/dbraw/zinc/03/56/37/886035637.db2.gz SQRPZHXHNASJAG-UHFFFAOYSA-N -1 0 261.263 -1.457 20 30 CAEDRM C#CCO[N-]C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001347317674 886036791 /nfs/dbraw/zinc/03/67/91/886036791.db2.gz OZCWUPNIKOZOIU-GMTAPVOTSA-N -1 0 292.295 -1.409 20 30 CAEDRM O=C1[N-]C(=O)C(=NN[C@H]2CCCS(=O)(=O)C2)C(=O)N1 ZINC001348411110 886082543 /nfs/dbraw/zinc/08/25/43/886082543.db2.gz ILVLOAYYWCVXRH-YFKPBYRVSA-N -1 0 288.285 -2.125 20 30 CAEDRM COCc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)no1 ZINC001349297957 886122558 /nfs/dbraw/zinc/12/25/58/886122558.db2.gz AUFKGQCDZQBWGH-UHFFFAOYSA-N -1 0 263.213 -1.014 20 30 CAEDRM C#CCSCC(=O)[N-]S(=O)(=O)CC(=O)OC ZINC001350229338 886163974 /nfs/dbraw/zinc/16/39/74/886163974.db2.gz AHCATSUCUZMOAJ-UHFFFAOYSA-N -1 0 265.312 -1.028 20 30 CAEDRM C#CCN1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)CC1 ZINC001350863456 886191045 /nfs/dbraw/zinc/19/10/45/886191045.db2.gz XYDUJLXGRHHHKL-UHFFFAOYSA-N -1 0 287.327 -1.206 20 30 CAEDRM COC(=O)[C@@H](C)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361710970 886477920 /nfs/dbraw/zinc/47/79/20/886477920.db2.gz ATYZEVWOGWSYAR-ZETCQYMHSA-N -1 0 294.267 -1.254 20 30 CAEDRM CC(C)NC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361756115 886481056 /nfs/dbraw/zinc/48/10/56/886481056.db2.gz QFDDPSLQPMJQQE-UHFFFAOYSA-N -1 0 293.283 -1.539 20 30 CAEDRM COC(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001361770898 886483470 /nfs/dbraw/zinc/48/34/70/886483470.db2.gz JBVXBUXROWSIFW-ZETCQYMHSA-N -1 0 294.267 -1.112 20 30 CAEDRM C[C@@H]1CC(=O)NN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361772503 886483795 /nfs/dbraw/zinc/48/37/95/886483795.db2.gz HGEMSUMFMPITES-ZCFIWIBFSA-N -1 0 277.240 -1.527 20 30 CAEDRM C[C@H]1CC(=O)NN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361772496 886485053 /nfs/dbraw/zinc/48/50/53/886485053.db2.gz HGEMSUMFMPITES-LURJTMIESA-N -1 0 277.240 -1.527 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCC(O)CC2)c(=O)[n-]c1=O ZINC001362038013 886518601 /nfs/dbraw/zinc/51/86/01/886518601.db2.gz AVJKKFQOQKHLOH-UHFFFAOYSA-N -1 0 278.268 -1.196 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCOC[C@H]2C#N)c(=O)[n-]c1=O ZINC001362085103 886529931 /nfs/dbraw/zinc/52/99/31/886529931.db2.gz COMQOOVNOWJWLX-SECBINFHSA-N -1 0 289.251 -1.428 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@@H](O)C2CC2)c(=O)[n-]c1=O ZINC001362087997 886531654 /nfs/dbraw/zinc/53/16/54/886531654.db2.gz KKLQHQXDFPERPT-SECBINFHSA-N -1 0 278.268 -1.292 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCNC(=O)CC2)c(=O)[n-]c1=O ZINC001362225100 886560300 /nfs/dbraw/zinc/56/03/00/886560300.db2.gz YFJDHAYIDHTBSK-UHFFFAOYSA-N -1 0 291.267 -1.831 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2c[nH]cn2)c(=O)[n-]c1=O ZINC001362249105 886566695 /nfs/dbraw/zinc/56/66/95/886566695.db2.gz AZHMWNPZGZAQIT-UHFFFAOYSA-N -1 0 274.240 -1.140 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@]2(O)CCOC2)c(=O)[n-]c1=O ZINC001362263924 886572126 /nfs/dbraw/zinc/57/21/26/886572126.db2.gz VTAQQWAANNKFCB-GFCCVEGCSA-N -1 0 294.267 -1.912 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@@H]2CNC(=O)C2)c(=O)[n-]c1=O ZINC001362278408 886574416 /nfs/dbraw/zinc/57/44/16/886574416.db2.gz SVUXDWYMUUMSEH-QMMMGPOBSA-N -1 0 291.267 -1.785 20 30 CAEDRM CC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)OCCO1 ZINC001362266113 886574538 /nfs/dbraw/zinc/57/45/38/886574538.db2.gz NBTOZLIWIHGGBS-UHFFFAOYSA-N -1 0 294.267 -1.300 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@H]2CNC(=O)C2)c(=O)[n-]c1=O ZINC001362278404 886575636 /nfs/dbraw/zinc/57/56/36/886575636.db2.gz SVUXDWYMUUMSEH-MRVPVSSYSA-N -1 0 291.267 -1.785 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H](CO)C2CC2)c(=O)[n-]c1=O ZINC001362276962 886575733 /nfs/dbraw/zinc/57/57/33/886575733.db2.gz LHLUUXBBIBJWHW-VIFPVBQESA-N -1 0 278.268 -1.292 20 30 CAEDRM COC[C@H](O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362292241 886579014 /nfs/dbraw/zinc/57/90/14/886579014.db2.gz NFKCGZBTECGOTP-SECBINFHSA-N -1 0 296.283 -1.666 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@]2(CO)CCOC2)c(=O)[n-]c1=O ZINC001362322643 886587817 /nfs/dbraw/zinc/58/78/17/886587817.db2.gz IBULYPQBNSENKV-GFCCVEGCSA-N -1 0 294.267 -1.912 20 30 CAEDRM N#Cc1cn(CC(=O)NN2CCCC2=O)c(=O)[n-]c1=O ZINC001362339421 886590151 /nfs/dbraw/zinc/59/01/51/886590151.db2.gz MVZMVAPITOXRRI-UHFFFAOYSA-N -1 0 277.240 -1.526 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CC(CO)C2)c(=O)[n-]c1=O ZINC001362359147 886597369 /nfs/dbraw/zinc/59/73/69/886597369.db2.gz VEABFVFCAXTIHU-UHFFFAOYSA-N -1 0 278.268 -1.339 20 30 CAEDRM CO[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCO1 ZINC001362369967 886600026 /nfs/dbraw/zinc/60/00/26/886600026.db2.gz KWCXNPNDTBVSMJ-JTQLQIEISA-N -1 0 294.267 -1.348 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@@H](O)C[C@H]2CO)c(=O)[n-]c1=O ZINC001362377073 886601808 /nfs/dbraw/zinc/60/18/08/886601808.db2.gz UIIMNFWWUYDHOL-IUCAKERBSA-N -1 0 294.267 -2.225 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H](O)C[C@H]2CO)c(=O)[n-]c1=O ZINC001362396406 886608327 /nfs/dbraw/zinc/60/83/27/886608327.db2.gz UIIMNFWWUYDHOL-DTWKUNHWSA-N -1 0 294.267 -2.225 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2cccnn2)c(=O)[n-]c1=O ZINC001362455005 886617128 /nfs/dbraw/zinc/61/71/28/886617128.db2.gz HREMQDGUDNJNCY-UHFFFAOYSA-N -1 0 286.251 -1.073 20 30 CAEDRM C[C@H](C[S@@](C)=O)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362464029 886619982 /nfs/dbraw/zinc/61/99/82/886619982.db2.gz RDTMQNFFMYVEEL-JLPJYYFKSA-N -1 0 298.324 -1.296 20 30 CAEDRM COC[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362482393 886626666 /nfs/dbraw/zinc/62/66/66/886626666.db2.gz SCLHSOHLKQZNPB-QMMMGPOBSA-N -1 0 282.256 -2.056 20 30 CAEDRM COC[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362482392 886628152 /nfs/dbraw/zinc/62/81/52/886628152.db2.gz SCLHSOHLKQZNPB-MRVPVSSYSA-N -1 0 282.256 -2.056 20 30 CAEDRM Cn1cnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001362498915 886630411 /nfs/dbraw/zinc/63/04/11/886630411.db2.gz AXSWWIYTIAXTHA-UHFFFAOYSA-N -1 0 275.228 -1.412 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2COC(=O)C2)c(=O)[n-]c1=O ZINC001362526691 886635381 /nfs/dbraw/zinc/63/53/81/886635381.db2.gz YWAJSZBWURUENV-ZETCQYMHSA-N -1 0 278.224 -1.748 20 30 CAEDRM N#Cc1cn(CCC(=O)NN2CCCC2=O)c(=O)[n-]c1=O ZINC001362528503 886636576 /nfs/dbraw/zinc/63/65/76/886636576.db2.gz CLSBOJYFDVRFLW-UHFFFAOYSA-N -1 0 291.267 -1.136 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O ZINC001362517188 886636751 /nfs/dbraw/zinc/63/67/51/886636751.db2.gz GOTKOCIPXZZDNT-DTORHVGOSA-N -1 0 278.268 -1.150 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2ccncn2)c(=O)[n-]c1=O ZINC001362627010 886661445 /nfs/dbraw/zinc/66/14/45/886661445.db2.gz WBRVNMIRFGLVJW-UHFFFAOYSA-N -1 0 286.251 -1.073 20 30 CAEDRM N#Cc1ncn(CCNC(=O)CCCc2nnn[n-]2)n1 ZINC001362645565 886665413 /nfs/dbraw/zinc/66/54/13/886665413.db2.gz MSCHXTFJHYRGRG-UHFFFAOYSA-N -1 0 275.276 -1.198 20 30 CAEDRM CON1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001362662490 886667374 /nfs/dbraw/zinc/66/73/74/886667374.db2.gz XBTIZPUQVQXKQQ-UHFFFAOYSA-N -1 0 293.283 -1.474 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H]2O)c(=O)[n-]c1=O ZINC001362694784 886680396 /nfs/dbraw/zinc/68/03/96/886680396.db2.gz XBEKWYWTXNKWJK-RKDXNWHRSA-N -1 0 278.268 -1.150 20 30 CAEDRM C[C@@H](O)C1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001362708904 886681780 /nfs/dbraw/zinc/68/17/80/886681780.db2.gz IGSSELRZEVBRHB-SSDOTTSWSA-N -1 0 278.268 -1.150 20 30 CAEDRM COC[C@H](O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362729162 886690654 /nfs/dbraw/zinc/69/06/54/886690654.db2.gz ZZBSXGIWJFNJGM-MRVPVSSYSA-N -1 0 282.256 -2.056 20 30 CAEDRM CO[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1O ZINC001362836168 886721438 /nfs/dbraw/zinc/72/14/38/886721438.db2.gz RQQWAAADNRHGEM-RKDXNWHRSA-N -1 0 294.267 -1.961 20 30 CAEDRM N#Cc1cn(CC(=O)NCCn2cnnc2)c(=O)[n-]c1=O ZINC001362872124 886734042 /nfs/dbraw/zinc/73/40/42/886734042.db2.gz YPHOTHBIXDBZEG-UHFFFAOYSA-N -1 0 289.255 -1.772 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2C[C@H](CO)C2)c(=O)[n-]c1=O ZINC001362954560 886753163 /nfs/dbraw/zinc/75/31/63/886753163.db2.gz GPFMLYMCNSJFBH-XWEPSHTISA-N -1 0 278.268 -1.292 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(=O)N1 ZINC001362985366 886759229 /nfs/dbraw/zinc/75/92/29/886759229.db2.gz RTTRCZPRLUCQEK-SSDOTTSWSA-N -1 0 291.267 -1.833 20 30 CAEDRM COC(=O)[C@H]1CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362983554 886759740 /nfs/dbraw/zinc/75/97/40/886759740.db2.gz FTVNINOQHPACKY-MRVPVSSYSA-N -1 0 292.251 -1.406 20 30 CAEDRM C[C@]1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCOC1=O ZINC001362985262 886759949 /nfs/dbraw/zinc/75/99/49/886759949.db2.gz WGPKPHGNHMQRLP-LBPRGKRZSA-N -1 0 292.251 -1.358 20 30 CAEDRM COC(=O)[C@@H]1CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362983558 886760042 /nfs/dbraw/zinc/76/00/42/886760042.db2.gz FTVNINOQHPACKY-QMMMGPOBSA-N -1 0 292.251 -1.406 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H](CO)CCF)c(=O)[n-]c1=O ZINC001363003301 886762806 /nfs/dbraw/zinc/76/28/06/886762806.db2.gz QCIKPWAQOPLUKI-QMMMGPOBSA-N -1 0 284.247 -1.343 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(=O)[n-]c1=O ZINC001363004767 886762975 /nfs/dbraw/zinc/76/29/75/886762975.db2.gz UOWPTOPSWMPHOI-MYJAWHEDSA-N -1 0 290.279 -1.171 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@@H]2CCOC2)c(=O)[n-]c1=O ZINC001363000915 886763250 /nfs/dbraw/zinc/76/32/50/886763250.db2.gz LDPSLUDNDPUUCB-MRVPVSSYSA-N -1 0 278.268 -1.027 20 30 CAEDRM N#Cc1cn(CCNC(=O)Cc2ncc[nH]2)c(=O)[n-]c1=O ZINC001363004886 886763359 /nfs/dbraw/zinc/76/33/59/886763359.db2.gz VNOUAIJMVYSEBE-UHFFFAOYSA-N -1 0 288.267 -1.097 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H](CO)CCF)c(=O)[n-]c1=O ZINC001363003249 886764019 /nfs/dbraw/zinc/76/40/19/886764019.db2.gz QCIKPWAQOPLUKI-MRVPVSSYSA-N -1 0 284.247 -1.343 20 30 CAEDRM Cn1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)nn1 ZINC001363125680 886796839 /nfs/dbraw/zinc/79/68/39/886796839.db2.gz AQLBSQBMPZARFR-UHFFFAOYSA-N -1 0 289.255 -1.621 20 30 CAEDRM COC(=O)[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363134512 886799814 /nfs/dbraw/zinc/79/98/14/886799814.db2.gz FRVSESRIYLFXSR-ZETCQYMHSA-N -1 0 278.268 -1.055 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H](O)C2CC2)c(=O)[n-]c1=O ZINC001363130591 886800244 /nfs/dbraw/zinc/80/02/44/886800244.db2.gz ZBFQLONUTRGPOI-SECBINFHSA-N -1 0 278.268 -1.292 20 30 CAEDRM C[C@H]1CS(=O)(=O)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363140807 886803636 /nfs/dbraw/zinc/80/36/36/886803636.db2.gz GTGSRIPOQGWJPU-ZETCQYMHSA-N -1 0 298.324 -1.431 20 30 CAEDRM CN(CC1C[NH+](C)C1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363221660 886835033 /nfs/dbraw/zinc/83/50/33/886835033.db2.gz YVKLVMQZWXPFHS-UHFFFAOYSA-N -1 0 291.311 -1.159 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@@H](O)[C@H](CO)C2)c(=O)[n-]c1=O ZINC001363246835 886839478 /nfs/dbraw/zinc/83/94/78/886839478.db2.gz JVGACMQVEZWBLF-DTWKUNHWSA-N -1 0 294.267 -2.368 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@]2(O)CCOC2)c(=O)[n-]c1=O ZINC001363289136 886858157 /nfs/dbraw/zinc/85/81/57/886858157.db2.gz VDOMPNHMFNLMRU-LBPRGKRZSA-N -1 0 294.267 -1.912 20 30 CAEDRM CC(C)[C@@H](O)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001363287719 886859721 /nfs/dbraw/zinc/85/97/21/886859721.db2.gz OGDBXZRCZAMDTG-SECBINFHSA-N -1 0 280.284 -1.046 20 30 CAEDRM Cc1nnn(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1C ZINC001363348483 886878510 /nfs/dbraw/zinc/87/85/10/886878510.db2.gz XBYCRVWDVFVACM-UHFFFAOYSA-N -1 0 289.255 -1.201 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O ZINC001363380404 886885151 /nfs/dbraw/zinc/88/51/51/886885151.db2.gz QVIXMLSUDCPBJZ-XWEPSHTISA-N -1 0 278.268 -1.292 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2CCOC[C@H]2O)c(=O)[n-]c1=O ZINC001363385317 886885846 /nfs/dbraw/zinc/88/58/46/886885846.db2.gz XHTHUCIKXNHFJE-RKDXNWHRSA-N -1 0 294.267 -1.913 20 30 CAEDRM C[C@@]1(O)C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363456882 886905852 /nfs/dbraw/zinc/90/58/52/886905852.db2.gz WRDUGBDJFSXQJG-LYWQIFSTSA-N -1 0 278.268 -1.150 20 30 CAEDRM CC(=O)N[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001363483525 886912191 /nfs/dbraw/zinc/91/21/91/886912191.db2.gz MQYQZDDSITYPTE-ZETCQYMHSA-N -1 0 293.283 -1.539 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2C[C@@H](CO)C2)c(=O)[n-]c1=O ZINC001363512611 886925663 /nfs/dbraw/zinc/92/56/63/886925663.db2.gz GPFMLYMCNSJFBH-OTSSQURYSA-N -1 0 278.268 -1.292 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@@H](O)[C@H](F)C2)c(=O)[n-]c1=O ZINC001363668823 886959229 /nfs/dbraw/zinc/95/92/29/886959229.db2.gz AWLYTDDTPYICQV-RKDXNWHRSA-N -1 0 296.258 -1.248 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@@H](O)[C@@H](F)C2)c(=O)[n-]c1=O ZINC001363668810 886959773 /nfs/dbraw/zinc/95/97/73/886959773.db2.gz AWLYTDDTPYICQV-DTWKUNHWSA-N -1 0 296.258 -1.248 20 30 CAEDRM N#Cc1cn(C2CN(C(=O)[C@H](O)C3CC3)C2)c(=O)[n-]c1=O ZINC001363690182 886962913 /nfs/dbraw/zinc/96/29/13/886962913.db2.gz WQOPNLHZDLSJPH-SNVBAGLBSA-N -1 0 290.279 -1.025 20 30 CAEDRM COC(=O)C[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363692743 886963971 /nfs/dbraw/zinc/96/39/71/886963971.db2.gz RBPVZRIEDAZGTG-ZETCQYMHSA-N -1 0 294.267 -1.112 20 30 CAEDRM C[C@H](CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N)c1nn[nH]n1 ZINC001363730811 886968415 /nfs/dbraw/zinc/96/84/15/886968415.db2.gz JOYVSAHCEVPDDT-ZCFIWIBFSA-N -1 0 290.287 -1.302 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@](O)(CC#N)C2)c(C#N)c1=O ZINC001363727677 886969900 /nfs/dbraw/zinc/96/99/00/886969900.db2.gz ISRPASYMKXSCDX-LBPRGKRZSA-N -1 0 275.268 -1.200 20 30 CAEDRM C[C@H]1CN(C)C(=O)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363733458 886970384 /nfs/dbraw/zinc/97/03/84/886970384.db2.gz MLLBJRBPBIHORX-ZETCQYMHSA-N -1 0 277.284 -1.388 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@](O)(CC#N)C2)c(C#N)c1=O ZINC001363727665 886971148 /nfs/dbraw/zinc/97/11/48/886971148.db2.gz ISRPASYMKXSCDX-GFCCVEGCSA-N -1 0 275.268 -1.200 20 30 CAEDRM Cn1c(=O)[n-]c(NCC[C@]2(O)CCOC2)c(C#N)c1=O ZINC001363746443 886973368 /nfs/dbraw/zinc/97/33/68/886973368.db2.gz VDZZOAGGDQDBFR-LBPRGKRZSA-N -1 0 280.284 -1.101 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2C(=O)NCC2(C)C)c(C#N)c1=O ZINC001363745823 886974026 /nfs/dbraw/zinc/97/40/26/886974026.db2.gz VRIUEZPTAKKDQM-ZETCQYMHSA-N -1 0 277.284 -1.118 20 30 CAEDRM CN(C[C@@H]1COCCO1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363744647 886974144 /nfs/dbraw/zinc/97/41/44/886974144.db2.gz PDYBAMKSMHRYPL-MRVPVSSYSA-N -1 0 280.284 -1.203 20 30 CAEDRM COC(=O)C1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363942528 887004916 /nfs/dbraw/zinc/00/49/16/887004916.db2.gz QGZPFIXRIFHPBL-UHFFFAOYSA-N -1 0 292.251 -1.548 20 30 CAEDRM Cn1cnc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001364105341 887033348 /nfs/dbraw/zinc/03/33/48/887033348.db2.gz AVFFMAUKTVXYBH-UHFFFAOYSA-N -1 0 289.255 -1.621 20 30 CAEDRM CNC(=O)[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001364166365 887038577 /nfs/dbraw/zinc/03/85/77/887038577.db2.gz AEOWKTOQELXUNB-MRVPVSSYSA-N -1 0 293.283 -2.104 20 30 CAEDRM CCN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1CCNC1=O ZINC001364166558 887038734 /nfs/dbraw/zinc/03/87/34/887038734.db2.gz DLAGYTNHJPYSPC-QMMMGPOBSA-N -1 0 277.284 -1.340 20 30 CAEDRM Cc1nnc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1C ZINC001364168048 887038957 /nfs/dbraw/zinc/03/89/57/887038957.db2.gz TUBVMJLOGMPJAK-UHFFFAOYSA-N -1 0 275.272 -1.006 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC[C@@H](OCCO)C2)c(C#N)c1=O ZINC001364171571 887040540 /nfs/dbraw/zinc/04/05/40/887040540.db2.gz QEEDEZGFJZNMAJ-SECBINFHSA-N -1 0 294.311 -1.077 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)NC[C@@H]3C2)c(C#N)c1=O ZINC001364193401 887041617 /nfs/dbraw/zinc/04/16/17/887041617.db2.gz NHHCFPSZMWRHMN-SSDOTTSWSA-N -1 0 290.283 -1.841 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)NC[C@H]3C2)c(C#N)c1=O ZINC001364193422 887041925 /nfs/dbraw/zinc/04/19/25/887041925.db2.gz NHHCFPSZMWRHMN-ZETCQYMHSA-N -1 0 290.283 -1.841 20 30 CAEDRM COC(=O)NC1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364181651 887042549 /nfs/dbraw/zinc/04/25/49/887042549.db2.gz QOBIWEDDNSAXSN-UHFFFAOYSA-N -1 0 279.256 -1.510 20 30 CAEDRM C[C@@H](O)[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001364198220 887042868 /nfs/dbraw/zinc/04/28/68/887042868.db2.gz DYVIAGWIXNVVGK-VXNVDRBHSA-N -1 0 280.284 -1.469 20 30 CAEDRM Cn1c([O-])c(C#N)c(-n2cnnc2[S@](C)=O)nc1=O ZINC001364180729 887043847 /nfs/dbraw/zinc/04/38/47/887043847.db2.gz XPPWOBZJCAXAOZ-IBGZPJMESA-N -1 0 280.269 -1.737 20 30 CAEDRM C[C@@H](O)C[C@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364182898 887043897 /nfs/dbraw/zinc/04/38/97/887043897.db2.gz NRHSLJYMJDTCGA-BDAKNGLRSA-N -1 0 294.311 -1.079 20 30 CAEDRM CNC(=O)[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364201348 887045003 /nfs/dbraw/zinc/04/50/03/887045003.db2.gz OBOLVYOLZTWRNT-ZETCQYMHSA-N -1 0 277.284 -1.482 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H]3C(=O)OC[C@@H]3C2)c(C#N)c1=O ZINC001364220042 887046882 /nfs/dbraw/zinc/04/68/82/887046882.db2.gz LAUWBXPHCNEYEO-XPUUQOCRSA-N -1 0 276.252 -1.446 20 30 CAEDRM Cn1c(=O)[n-]c(NCC[C@@H]2CNC(=O)C2)c(C#N)c1=O ZINC001364228556 887048993 /nfs/dbraw/zinc/04/89/93/887048993.db2.gz JNMHTWVKHZDGER-ZETCQYMHSA-N -1 0 277.284 -1.117 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](CO)[C@H](CCO)C2)c(C#N)c1=O ZINC001364265465 887052290 /nfs/dbraw/zinc/05/22/90/887052290.db2.gz JTTIGAKYZLSFTQ-RKDXNWHRSA-N -1 0 294.311 -1.628 20 30 CAEDRM C[C@@]1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCNC1=O ZINC001364288714 887056296 /nfs/dbraw/zinc/05/62/96/887056296.db2.gz BWZCMMPJHSSIGY-GFCCVEGCSA-N -1 0 291.267 -1.785 20 30 CAEDRM C[C@]1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCNC1=O ZINC001364288718 887056415 /nfs/dbraw/zinc/05/64/15/887056415.db2.gz BWZCMMPJHSSIGY-LBPRGKRZSA-N -1 0 291.267 -1.785 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H]2CCS(=O)(=O)C2)c(C#N)c1=O ZINC001364531605 887104060 /nfs/dbraw/zinc/10/40/60/887104060.db2.gz IFDADXNXHGOMDH-SSDOTTSWSA-N -1 0 298.324 -1.208 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC3(C2)OCCO3)c(C#N)c1=O ZINC001364535892 887104590 /nfs/dbraw/zinc/10/45/90/887104590.db2.gz UIXDLDYDLKMDII-UHFFFAOYSA-N -1 0 278.268 -1.102 20 30 CAEDRM CN1CC2(CN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)OC1=O ZINC001364564619 887109712 /nfs/dbraw/zinc/10/97/12/887109712.db2.gz VTDBRFFQYYRHLP-UHFFFAOYSA-N -1 0 291.267 -1.414 20 30 CAEDRM Cn1c(=O)[n-]c(SCCc2nn[nH]n2)c(C#N)c1=O ZINC001364561367 887109857 /nfs/dbraw/zinc/10/98/57/887109857.db2.gz VBAPKXNHQDGIOL-UHFFFAOYSA-N -1 0 279.285 -1.207 20 30 CAEDRM CNC(=O)N[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364558025 887109960 /nfs/dbraw/zinc/10/99/60/887109960.db2.gz SGPBNIXRLGFWBH-SSDOTTSWSA-N -1 0 292.299 -1.547 20 30 CAEDRM CSCC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(N)=O ZINC001364584371 887111484 /nfs/dbraw/zinc/11/14/84/887111484.db2.gz ODFUOLQCMLNQMZ-ZETCQYMHSA-N -1 0 297.340 -1.036 20 30 CAEDRM N#C[C@H]1COCCN1Cc1cc(=O)n2[n-]c(N)nc2n1 ZINC001364653112 887116800 /nfs/dbraw/zinc/11/68/00/887116800.db2.gz YEQQZOIBQBNSOW-QMMMGPOBSA-N -1 0 275.272 -1.276 20 30 CAEDRM C[C@H]1COC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001364916862 887153650 /nfs/dbraw/zinc/15/36/50/887153650.db2.gz HGHDBCRCQJGLNF-IONNQARKSA-N -1 0 278.268 -1.028 20 30 CAEDRM C[C@@H]1COC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001364916864 887154841 /nfs/dbraw/zinc/15/48/41/887154841.db2.gz HGHDBCRCQJGLNF-VXNVDRBHSA-N -1 0 278.268 -1.028 20 30 CAEDRM N#Cc1cn(CCNC(=O)N[C@H]2CCOC2)c(=O)[n-]c1=O ZINC001365126060 887173197 /nfs/dbraw/zinc/17/31/97/887173197.db2.gz GUTZGYVRFZBFQG-VIFPVBQESA-N -1 0 293.283 -1.091 20 30 CAEDRM N#Cc1cn(CCNC(=O)N[C@@H]2CCOC2)c(=O)[n-]c1=O ZINC001365126056 887173494 /nfs/dbraw/zinc/17/34/94/887173494.db2.gz GUTZGYVRFZBFQG-SECBINFHSA-N -1 0 293.283 -1.091 20 30 CAEDRM N#Cc1cn(CC(=O)NCc2cnccn2)c(=O)[n-]c1=O ZINC001365155401 887176201 /nfs/dbraw/zinc/17/62/01/887176201.db2.gz BLLQOISAYABDEZ-UHFFFAOYSA-N -1 0 286.251 -1.073 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)N=NC3C2)c(C#N)c1=O ZINC001365226534 887181754 /nfs/dbraw/zinc/18/17/54/887181754.db2.gz VYRXRIDGOQCYNL-UHFFFAOYSA-N -1 0 289.255 -1.737 20 30 CAEDRM C[C@@H]1OCC[C@@]1(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365220749 887181894 /nfs/dbraw/zinc/18/18/94/887181894.db2.gz HRFXRAYCJOTVSZ-JVXZTZIISA-N -1 0 280.284 -1.103 20 30 CAEDRM Cc1nc2n(n1)CCN(c1[n-]c(=O)n(C)c(=O)c1C#N)C2 ZINC001365216630 887182084 /nfs/dbraw/zinc/18/20/84/887182084.db2.gz MZKFDTKZNWMCRL-UHFFFAOYSA-N -1 0 287.283 -1.135 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCn3ncnc3C2)c(C#N)c1=O ZINC001365224493 887182095 /nfs/dbraw/zinc/18/20/95/887182095.db2.gz VXOWKBNHAYNGTP-UHFFFAOYSA-N -1 0 273.256 -1.443 20 30 CAEDRM CCS(=O)(=O)C1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001365226907 887182810 /nfs/dbraw/zinc/18/28/10/887182810.db2.gz IKVSDKXXUWFPKX-UHFFFAOYSA-N -1 0 298.324 -1.431 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(O)(CO)CC2)c(C#N)c1=O ZINC001365230994 887185644 /nfs/dbraw/zinc/18/56/44/887185644.db2.gz XZZCAEHEQXACRT-UHFFFAOYSA-N -1 0 280.284 -1.731 20 30 CAEDRM CN(C)[S@](C)(=O)=NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC001365260616 887186971 /nfs/dbraw/zinc/18/69/71/887186971.db2.gz PIKAOKZOXJGQTH-HXUWFJFHSA-N -1 0 299.312 -1.491 20 30 CAEDRM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(=O)[n-]1 ZINC001403923751 889390183 /nfs/dbraw/zinc/39/01/83/889390183.db2.gz ZRLRBFNZZHEEDN-DTWKUNHWSA-N -1 0 296.331 -1.079 20 30 CAEDRM C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001405726214 889467921 /nfs/dbraw/zinc/46/79/21/889467921.db2.gz FITYRLQCHMCKJU-DTWKUNHWSA-N -1 0 294.315 -1.013 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCNC(=O)C2)c(=O)[n-]c1=O ZINC001411600330 889753485 /nfs/dbraw/zinc/75/34/85/889753485.db2.gz REELDXSHCSUTBH-UHFFFAOYSA-N -1 0 277.240 -2.221 20 30 CAEDRM COC[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001412095982 889789627 /nfs/dbraw/zinc/78/96/27/889789627.db2.gz KBSMFIDGVRTVPN-VIFPVBQESA-N -1 0 296.283 -1.666 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2COC[C@H]2O)c(=O)[n-]c1=O ZINC001412140416 889795751 /nfs/dbraw/zinc/79/57/51/889795751.db2.gz FPQSHPDTYYBNIO-HTQZYQBOSA-N -1 0 280.240 -2.304 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CC=C(N)N2)c(=O)[n-]c1=O ZINC001412627636 889859772 /nfs/dbraw/zinc/85/97/72/889859772.db2.gz OCDLJJFCTSQCSB-UHFFFAOYSA-N -1 0 276.256 -1.642 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H](O)C[C@H](O)C2)c(=O)[n-]c1=O ZINC001412642183 889860137 /nfs/dbraw/zinc/86/01/37/889860137.db2.gz KCZIJICNRVYKFN-DTORHVGOSA-N -1 0 294.267 -2.225 20 30 CAEDRM CN(C[C@H](O)CO)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001412679514 889865850 /nfs/dbraw/zinc/86/58/50/889865850.db2.gz TYELWZCFGDMHRT-VIFPVBQESA-N -1 0 296.283 -1.978 20 30 CAEDRM COC[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001412867647 889901653 /nfs/dbraw/zinc/90/16/53/889901653.db2.gz BFYHOAMBLVSUJE-MRVPVSSYSA-N -1 0 280.284 -1.203 20 30 CAEDRM CCN1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001412879691 889903568 /nfs/dbraw/zinc/90/35/68/889903568.db2.gz HFCZFPNHGXMERH-UHFFFAOYSA-N -1 0 277.284 -1.386 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(=O)N(CC3CC3)C2)c(C#N)c1=O ZINC001412878671 889903957 /nfs/dbraw/zinc/90/39/57/889903957.db2.gz CJHPAYVTHQPGLS-UHFFFAOYSA-N -1 0 289.295 -1.039 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H]2CCN(C(N)=O)C2)c(C#N)c1=O ZINC001412885646 889904259 /nfs/dbraw/zinc/90/42/59/889904259.db2.gz SEBBHIRIBPRZAZ-ZETCQYMHSA-N -1 0 292.299 -1.242 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](CO)[C@@H](O)C2)c(C#N)c1=O ZINC001412881736 889904462 /nfs/dbraw/zinc/90/44/62/889904462.db2.gz JEEJFJBULDRHIW-APPZFPTMSA-N -1 0 280.284 -1.875 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@@H](CC(N)=O)C2)c(C#N)c1=O ZINC001412891624 889907538 /nfs/dbraw/zinc/90/75/38/889907538.db2.gz IHQQPVRENIFUOJ-ZETCQYMHSA-N -1 0 293.283 -1.974 20 30 CAEDRM N#Cc1c[n-]n2c1nc(CN1C[C@@H](O)[C@@H](O)C1)cc2=O ZINC001412947697 889914432 /nfs/dbraw/zinc/91/44/32/889914432.db2.gz LPWCJKYQZKXEQB-AOOOYVTPSA-N -1 0 275.268 -1.156 20 30 CAEDRM CNC(=O)C[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001412978199 889920541 /nfs/dbraw/zinc/92/05/41/889920541.db2.gz RLZVSZMXGFVDDG-SSDOTTSWSA-N -1 0 293.283 -1.539 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@@H]2COC(=O)C2)c(=O)[n-]c1=O ZINC001413022838 889928506 /nfs/dbraw/zinc/92/85/06/889928506.db2.gz CNDWDWFJSZAGLD-QMMMGPOBSA-N -1 0 292.251 -1.358 20 30 CAEDRM Cn1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001413310380 889960006 /nfs/dbraw/zinc/96/00/06/889960006.db2.gz PFVMSXDFCDPGRZ-UHFFFAOYSA-N -1 0 288.267 -1.016 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@@](F)(CO)C2)c(=O)[n-]c1=O ZINC001413849982 890020829 /nfs/dbraw/zinc/02/08/29/890020829.db2.gz OQIDGNJMOBRROJ-LBPRGKRZSA-N -1 0 296.258 -1.247 20 30 CAEDRM COC(=O)[C@H]1[C@@H]2CN(c3[n-]c(=O)n(C)c(=O)c3C#N)C[C@@H]21 ZINC001413888852 890023682 /nfs/dbraw/zinc/02/36/82/890023682.db2.gz PMESQEOZQXAMPW-BRPSZJMVSA-N -1 0 290.279 -1.200 20 30 CAEDRM COC(=O)C[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001413901247 890023837 /nfs/dbraw/zinc/02/38/37/890023837.db2.gz XKOZAFYQERGMAA-ZCFIWIBFSA-N -1 0 282.256 -1.719 20 30 CAEDRM CC(=O)N[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001413894487 890024252 /nfs/dbraw/zinc/02/42/52/890024252.db2.gz PFQGBEZCKYRWEC-MRVPVSSYSA-N -1 0 277.284 -1.340 20 30 CAEDRM Cn1c(=O)[n-]c(NCC2(S(C)(=O)=O)CC2)c(C#N)c1=O ZINC001413890816 890024659 /nfs/dbraw/zinc/02/46/59/890024659.db2.gz GECOJNVRZGXJRB-UHFFFAOYSA-N -1 0 298.324 -1.066 20 30 CAEDRM Cn1c(=O)[n-]c(NC2CC(CO)(CO)C2)c(C#N)c1=O ZINC001413900826 890025352 /nfs/dbraw/zinc/02/53/52/890025352.db2.gz TZJZZNQWPJDAPM-UHFFFAOYSA-N -1 0 280.284 -1.509 20 30 CAEDRM C[C@@H]1[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CCS1(=O)=O ZINC001413899485 890026852 /nfs/dbraw/zinc/02/68/52/890026852.db2.gz HLQIQDLFMHXPDY-HTRCEHHLSA-N -1 0 298.324 -1.067 20 30 CAEDRM CN(C)S(=O)(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001414308827 890053748 /nfs/dbraw/zinc/05/37/48/890053748.db2.gz PXWHVNSBJGBGBP-UHFFFAOYSA-N -1 0 287.301 -1.783 20 30 CAEDRM CCNC(=O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001417614212 890148023 /nfs/dbraw/zinc/14/80/23/890148023.db2.gz WUZZZGPDQZAVBC-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H]3C[C@@]3(CO)C2)c(=O)[n-]c1=O ZINC001417717503 890165013 /nfs/dbraw/zinc/16/50/13/890165013.db2.gz WPJCAKOUIPHVEW-RNCFNFMXSA-N -1 0 290.279 -1.339 20 30 CAEDRM C[C@@H]1C(=O)N(C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001418329165 890212482 /nfs/dbraw/zinc/21/24/82/890212482.db2.gz LJOLZHAWYHAMRB-SSDOTTSWSA-N -1 0 291.267 -1.533 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@@H]2COCCO2)c(=O)[n-]c1=O ZINC001418528785 890238023 /nfs/dbraw/zinc/23/80/23/890238023.db2.gz IDFFFZJYYBLZLX-VIFPVBQESA-N -1 0 294.267 -1.648 20 30 CAEDRM CC(=O)NCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001418529061 890238341 /nfs/dbraw/zinc/23/83/41/890238341.db2.gz LCGYINSMUBEHKN-UHFFFAOYSA-N -1 0 279.256 -1.927 20 30 CAEDRM N#Cc1cn(CCNC(=O)c2cn[nH]c2)c(=O)[n-]c1=O ZINC001418529987 890239019 /nfs/dbraw/zinc/23/90/19/890239019.db2.gz WLOWMRMAFKGEFD-UHFFFAOYSA-N -1 0 274.240 -1.026 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2COCCO2)c(=O)[n-]c1=O ZINC001418528784 890241175 /nfs/dbraw/zinc/24/11/75/890241175.db2.gz IDFFFZJYYBLZLX-SECBINFHSA-N -1 0 294.267 -1.648 20 30 CAEDRM N#Cc1cn(CC(=O)NCCc2cc[nH]n2)c(=O)[n-]c1=O ZINC001419121652 890306780 /nfs/dbraw/zinc/30/67/80/890306780.db2.gz MSNDAHIKLZWCIY-UHFFFAOYSA-N -1 0 288.267 -1.097 20 30 CAEDRM N#C[C@]12CN(C(=O)c3n[nH]c(=O)[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001421014644 890478828 /nfs/dbraw/zinc/47/88/28/890478828.db2.gz MRIADGWXDLJMDY-QUBYGPBYSA-N -1 0 297.296 -1.479 20 30 CAEDRM CN1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1=O ZINC001421081889 890483826 /nfs/dbraw/zinc/48/38/26/890483826.db2.gz MLGZKZSPTKYHGM-SSDOTTSWSA-N -1 0 277.284 -1.022 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(=O)N2CCCC2)c(C#N)c1=O ZINC001421084577 890485377 /nfs/dbraw/zinc/48/53/77/890485377.db2.gz UJUAOCPSRBEALT-UHFFFAOYSA-N -1 0 277.284 -1.020 20 30 CAEDRM CN(CC(C)(CO)CO)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421077072 890485676 /nfs/dbraw/zinc/48/56/76/890485676.db2.gz CKOWZGLEYUWVRJ-UHFFFAOYSA-N -1 0 282.300 -1.628 20 30 CAEDRM COC[C@H]1C[C@@H](O)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421171038 890490619 /nfs/dbraw/zinc/49/06/19/890490619.db2.gz ZWESMWKEPKFWQL-HTQZYQBOSA-N -1 0 280.284 -1.469 20 30 CAEDRM CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC001421218050 890492506 /nfs/dbraw/zinc/49/25/06/890492506.db2.gz QVDGIQCGHVXSPH-KNVOCYPGSA-N -1 0 277.284 -1.355 20 30 CAEDRM C[C@H]1C(=O)NCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421292169 890493776 /nfs/dbraw/zinc/49/37/76/890493776.db2.gz SAWGOBLKHLDGSB-ZETCQYMHSA-N -1 0 277.284 -1.340 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](CO)[C@H](CO)C2)c(C#N)c1=O ZINC001421300622 890496340 /nfs/dbraw/zinc/49/63/40/890496340.db2.gz UILGHAYVXSUHGV-OCAPTIKFSA-N -1 0 280.284 -2.018 20 30 CAEDRM COC(=O)[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001433815073 891051860 /nfs/dbraw/zinc/05/18/60/891051860.db2.gz JBVXBUXROWSIFW-SSDOTTSWSA-N -1 0 294.267 -1.112 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@H](CO)C2)c(=O)[n-]c1=O ZINC001433875924 891061943 /nfs/dbraw/zinc/06/19/43/891061943.db2.gz INDMIXDSJJRUDS-QMMMGPOBSA-N -1 0 278.268 -1.339 20 30 CAEDRM CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(=O)NC ZINC001434102760 891079125 /nfs/dbraw/zinc/07/91/25/891079125.db2.gz NKLJVGKTOWNZNL-QMMMGPOBSA-N -1 0 293.283 -1.539 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2COCCC2=O)c(=O)[n-]c1=O ZINC001434252859 891097495 /nfs/dbraw/zinc/09/74/95/891097495.db2.gz ZDRDHIXKQYRFCC-MRVPVSSYSA-N -1 0 292.251 -1.705 20 30 CAEDRM N#CCCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001434293327 891100185 /nfs/dbraw/zinc/10/01/85/891100185.db2.gz BJKZRVFZIGFTPV-UHFFFAOYSA-N -1 0 280.288 -1.253 20 30 CAEDRM Cn1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nn1 ZINC001434319985 891101991 /nfs/dbraw/zinc/10/19/91/891101991.db2.gz IOHKMVHMHYPBPA-UHFFFAOYSA-N -1 0 275.228 -1.412 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CC[C@@H]2CO)c(=O)[n-]c1=O ZINC001434382304 891111906 /nfs/dbraw/zinc/11/19/06/891111906.db2.gz FPCPSJLEYLAGRW-SECBINFHSA-N -1 0 278.268 -1.196 20 30 CAEDRM CCS(=O)(=O)CCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001434436023 891115873 /nfs/dbraw/zinc/11/58/73/891115873.db2.gz MIHMGUQXVXVRGF-UHFFFAOYSA-N -1 0 286.313 -1.208 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN(C3CC3)C(=O)C2)c(C#N)c1=O ZINC001434442008 891117412 /nfs/dbraw/zinc/11/74/12/891117412.db2.gz JVZJINLERIWKTC-UHFFFAOYSA-N -1 0 289.295 -1.244 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H](O)[C@@H]2CCCO2)c(C#N)c1=O ZINC001434448039 891117848 /nfs/dbraw/zinc/11/78/48/891117848.db2.gz CXHMVTBKBNVMBQ-IUCAKERBSA-N -1 0 280.284 -1.103 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](NC(N)=O)C2)c(C#N)c1=O ZINC001434442609 891117900 /nfs/dbraw/zinc/11/79/00/891117900.db2.gz JFTRXUJSMQLNQO-LURJTMIESA-N -1 0 278.272 -1.808 20 30 CAEDRM CN(CCO)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001441099453 891403177 /nfs/dbraw/zinc/40/31/77/891403177.db2.gz WWJFGUGUCOCPEH-UHFFFAOYSA-N -1 0 266.257 -1.339 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001443962081 891543489 /nfs/dbraw/zinc/54/34/89/891543489.db2.gz KJYYQUVPSPUFFH-RXMQYKEDSA-N -1 0 251.202 -1.353 20 30 CAEDRM C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001446827641 891694411 /nfs/dbraw/zinc/69/44/11/891694411.db2.gz HHXMWACHMBFQRM-ZETCQYMHSA-N -1 0 280.288 -1.667 20 30 CAEDRM C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447125265 891712886 /nfs/dbraw/zinc/71/28/86/891712886.db2.gz JCBPQIILQVKMHQ-DTWKUNHWSA-N -1 0 294.315 -1.013 20 30 CAEDRM N#Cc1cn(CC(=O)NCC2OCCCO2)c(=O)[n-]c1=O ZINC001447896743 891745060 /nfs/dbraw/zinc/74/50/60/891745060.db2.gz ZJCMZTAWWXDPOC-UHFFFAOYSA-N -1 0 294.267 -1.300 20 30 CAEDRM N#CCNC(=O)CNC(=O)c1c[n-]n2c1nccc2=O ZINC001449134313 891830706 /nfs/dbraw/zinc/83/07/06/891830706.db2.gz OAHMWGJQTJYTSM-UHFFFAOYSA-N -1 0 274.240 -1.608 20 30 CAEDRM C=CCO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC001449656758 891855871 /nfs/dbraw/zinc/85/58/71/891855871.db2.gz OAKRDRSUPGMINV-UHFFFAOYSA-N -1 0 274.302 -1.068 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)[N-]OC(C)(C)CO)C1=O ZINC001449784077 891856204 /nfs/dbraw/zinc/85/62/04/891856204.db2.gz KTISCNZGRWLBQB-UHFFFAOYSA-N -1 0 299.283 -1.218 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCOCCN2)c(=O)[n-]c1=O ZINC001450206887 891865858 /nfs/dbraw/zinc/86/58/58/891865858.db2.gz BHMFTJBSLLICGD-UHFFFAOYSA-N -1 0 279.256 -1.816 20 30 CAEDRM N#Cc1cn(CCC(=O)NC[C@@H]2COCO2)c(=O)[n-]c1=O ZINC001450976956 891883101 /nfs/dbraw/zinc/88/31/01/891883101.db2.gz MLXITLRBKVYVEE-SECBINFHSA-N -1 0 294.267 -1.300 20 30 CAEDRM N#Cc1nc(NC(=O)CN2CCNC(=O)C2)[n-]c1C#N ZINC001452535412 891954018 /nfs/dbraw/zinc/95/40/18/891954018.db2.gz WEQKOJQWQXABAJ-UHFFFAOYSA-N -1 0 273.256 -1.477 20 30 CAEDRM Cn1cc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)nn1 ZINC001452839480 891965278 /nfs/dbraw/zinc/96/52/78/891965278.db2.gz XYWOWWDEGQSFRG-UHFFFAOYSA-N -1 0 289.255 -1.735 20 30 CAEDRM CCOCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001453830310 891980893 /nfs/dbraw/zinc/98/08/93/891980893.db2.gz PCNSGXLOYGWWGI-UHFFFAOYSA-N -1 0 266.257 -1.027 20 30 CAEDRM COC[C@H](OC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001453843391 891982330 /nfs/dbraw/zinc/98/23/30/891982330.db2.gz OLEMSDQNGLNPOR-VIFPVBQESA-N -1 0 296.283 -1.402 20 30 CAEDRM Cn1cnc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1 ZINC001453843947 891983490 /nfs/dbraw/zinc/98/34/90/891983490.db2.gz QLOVOHNAESASEL-UHFFFAOYSA-N -1 0 288.267 -1.016 20 30 CAEDRM C[C@@H]1CO[C@@H](CO)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458257162 892117816 /nfs/dbraw/zinc/11/78/16/892117816.db2.gz WAZVRUPWSFUVRM-HTQZYQBOSA-N -1 0 280.284 -1.469 20 30 CAEDRM CNC(=O)CSc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458339676 892117989 /nfs/dbraw/zinc/11/79/89/892117989.db2.gz RYHIOBWIXVJOAV-UHFFFAOYSA-N -1 0 254.271 -1.217 20 30 CAEDRM C[C@H]1CO[C@@H](CO)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458257163 892118800 /nfs/dbraw/zinc/11/88/00/892118800.db2.gz WAZVRUPWSFUVRM-JGVFFNPUSA-N -1 0 280.284 -1.469 20 30 CAEDRM CNC(=O)[C@@H](C)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458231815 892118906 /nfs/dbraw/zinc/11/89/06/892118906.db2.gz RSAZSRPWCBHXAJ-ZETCQYMHSA-N -1 0 279.300 -1.236 20 30 CAEDRM COC(=O)[C@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458307468 892119047 /nfs/dbraw/zinc/11/90/47/892119047.db2.gz VFRMNXVMWJYABE-LLVKDONJSA-N -1 0 282.256 -1.719 20 30 CAEDRM CNC(=O)[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001458177895 892119200 /nfs/dbraw/zinc/11/92/00/892119200.db2.gz GLGRGAWPVGBUQI-MRVPVSSYSA-N -1 0 291.311 -1.092 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN3C(=O)OC[C@H]3C2)c(C#N)c1=O ZINC001458237922 892119234 /nfs/dbraw/zinc/11/92/34/892119234.db2.gz PXXREDQPGKGFRM-SSDOTTSWSA-N -1 0 291.267 -1.414 20 30 CAEDRM CN(CCS(C)(=O)=O)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458159688 892119741 /nfs/dbraw/zinc/11/97/41/892119741.db2.gz XSKSWOVKBFZILM-UHFFFAOYSA-N -1 0 286.313 -1.574 20 30 CAEDRM CO[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001458331658 892120140 /nfs/dbraw/zinc/12/01/40/892120140.db2.gz PVNVFMNNWITMPP-QMMMGPOBSA-N -1 0 266.257 -1.246 20 30 CAEDRM Cn1c(=O)[n-]c(NCCn2ccnn2)c(C#N)c1=O ZINC001458461101 892123807 /nfs/dbraw/zinc/12/38/07/892123807.db2.gz MCBKNPPTCKCZBO-UHFFFAOYSA-N -1 0 261.245 -1.351 20 30 CAEDRM COC[C@@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458623347 892125896 /nfs/dbraw/zinc/12/58/96/892125896.db2.gz MVCXHCQLYRISBP-MRVPVSSYSA-N -1 0 280.284 -1.203 20 30 CAEDRM C#CC1(O)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001458634590 892126012 /nfs/dbraw/zinc/12/60/12/892126012.db2.gz ACRHSWLQUVPLRP-UHFFFAOYSA-N -1 0 274.280 -1.090 20 30 CAEDRM CC(=O)NCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001463639309 892172816 /nfs/dbraw/zinc/17/28/16/892172816.db2.gz BSDXXJAOIZQRNG-UHFFFAOYSA-N -1 0 279.256 -1.927 20 30 CAEDRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)nc1 ZINC001464694197 892192683 /nfs/dbraw/zinc/19/26/83/892192683.db2.gz IPVAUGRXAPVTRB-UHFFFAOYSA-N -1 0 270.270 -1.091 20 30 CAEDRM C[C@@H]1C(=O)NCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001464819896 892194978 /nfs/dbraw/zinc/19/49/78/892194978.db2.gz PGEVJFMBEVLUTF-SSDOTTSWSA-N -1 0 291.267 -1.833 20 30 CAEDRM N#Cc1cn(CC(=O)NCCn2cncn2)c(=O)[n-]c1=O ZINC001464874889 892195901 /nfs/dbraw/zinc/19/59/01/892195901.db2.gz WTRTVNQDHFIGPC-UHFFFAOYSA-N -1 0 289.255 -1.772 20 30 CAEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)NCCO ZINC001465854140 892209560 /nfs/dbraw/zinc/20/95/60/892209560.db2.gz MJRWRRVHVDCUGA-UHFFFAOYSA-N -1 0 278.268 -1.194 20 30 CAEDRM CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(=O)OC ZINC001465642483 892210500 /nfs/dbraw/zinc/21/05/00/892210500.db2.gz IMLALAQYRSLECU-MRVPVSSYSA-N -1 0 294.267 -1.112 20 30 CAEDRM CC(C)[C@H](O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001465857541 892213219 /nfs/dbraw/zinc/21/32/19/892213219.db2.gz ASXLPJDWEIVOCL-SECBINFHSA-N -1 0 280.284 -1.046 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001466319995 892222557 /nfs/dbraw/zinc/22/25/57/892222557.db2.gz MQGDKQBCQLJFOL-UHFFFAOYSA-N -1 0 290.301 -1.594 20 30 CAEDRM CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1(CO)CC1 ZINC001467856181 892256628 /nfs/dbraw/zinc/25/66/28/892256628.db2.gz UXFIJRKTNKKOJP-UHFFFAOYSA-N -1 0 278.268 -1.196 20 30 CAEDRM C#CCNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001468071426 892261237 /nfs/dbraw/zinc/26/12/37/892261237.db2.gz PERJOVVUOAJMLM-UHFFFAOYSA-N -1 0 261.241 -1.247 20 30 CAEDRM O=C(CCc1nnn[n-]1)N[C@H]1CCCN(O)C1=O ZINC001468452870 892270350 /nfs/dbraw/zinc/27/03/50/892270350.db2.gz KUOJVRUIDWUCCE-LURJTMIESA-N -1 0 254.250 -1.371 20 30 CAEDRM CC(C)(CO)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001470361854 892315881 /nfs/dbraw/zinc/31/58/81/892315881.db2.gz ZCIKHRFMOLACGO-UHFFFAOYSA-N -1 0 280.284 -1.045 20 30 CAEDRM N#Cc1ncn(CC(=O)NC2(c3nnn[n-]3)CCC2)n1 ZINC001471659789 892366006 /nfs/dbraw/zinc/36/60/06/892366006.db2.gz PCDKJDVNLMIFAR-UHFFFAOYSA-N -1 0 273.260 -1.142 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2CCS(=O)(=O)C2)c(C#N)c1=O ZINC001472651993 892403229 /nfs/dbraw/zinc/40/32/29/892403229.db2.gz QPSXTJQPROPESC-LURJTMIESA-N -1 0 284.297 -1.456 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@H](C#N)C2)c(C#N)c1=O ZINC001472684068 892403532 /nfs/dbraw/zinc/40/35/32/892403532.db2.gz BWRQWHWOPJRVRK-SSDOTTSWSA-N -1 0 261.241 -1.326 20 30 CAEDRM Cn1cnnc1CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472653853 892403977 /nfs/dbraw/zinc/40/39/77/892403977.db2.gz ZEIIKWJCNQGPSW-UHFFFAOYSA-N -1 0 261.245 -1.314 20 30 CAEDRM COC(=O)CCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472651517 892404351 /nfs/dbraw/zinc/40/43/51/892404351.db2.gz SYEQUHVJAAKLQL-UHFFFAOYSA-N -1 0 252.230 -1.080 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H](CO)[C@H]2CCOC2)c(C#N)c1=O ZINC001472744829 892404453 /nfs/dbraw/zinc/40/44/53/892404453.db2.gz FOSSNKGTCSZNMC-CBAPKCEASA-N -1 0 280.284 -1.245 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H](CO)[C@@H]2CCOC2)c(C#N)c1=O ZINC001472744828 892404756 /nfs/dbraw/zinc/40/47/56/892404756.db2.gz FOSSNKGTCSZNMC-APPZFPTMSA-N -1 0 280.284 -1.245 20 30 CAEDRM Cn1c(=O)[n-]c(Nc2cnn(CCO)c2)c(C#N)c1=O ZINC001472676993 892405162 /nfs/dbraw/zinc/40/51/62/892405162.db2.gz BFEZPHRTLOWIJJ-UHFFFAOYSA-N -1 0 276.256 -1.122 20 30 CAEDRM CN(Cc1nc[nH]n1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472768925 892407310 /nfs/dbraw/zinc/40/73/10/892407310.db2.gz XHKSLLKNPGFVOM-UHFFFAOYSA-N -1 0 261.245 -1.300 20 30 CAEDRM C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCS1(=O)=O ZINC001472854724 892408814 /nfs/dbraw/zinc/40/88/14/892408814.db2.gz UMJRFJWPVHPBCG-ZETCQYMHSA-N -1 0 298.324 -1.431 20 30 CAEDRM N#CCN1CCC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001481067797 892572914 /nfs/dbraw/zinc/57/29/14/892572914.db2.gz YWUKOUSBGUEWMX-QMMMGPOBSA-N -1 0 280.288 -1.207 20 30 CAEDRM CC[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCC#N ZINC001481871349 892630439 /nfs/dbraw/zinc/63/04/39/892630439.db2.gz SEULERDADAQLMR-SSDOTTSWSA-N -1 0 268.277 -1.303 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1CNCC#N ZINC001484383363 892852270 /nfs/dbraw/zinc/85/22/70/892852270.db2.gz VBQAMMGJLMHKNR-IUCAKERBSA-N -1 0 294.315 -1.103 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1CNCC#N ZINC001484383361 892853351 /nfs/dbraw/zinc/85/33/51/892853351.db2.gz VBQAMMGJLMHKNR-BDAKNGLRSA-N -1 0 294.315 -1.103 20 30 CAEDRM C=CCN1CC(CCO)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001485423931 892933179 /nfs/dbraw/zinc/93/31/79/892933179.db2.gz LOFMUGVWUNTLLD-UHFFFAOYSA-N -1 0 297.315 -1.572 20 30 CAEDRM C[C@H](CN(C)CC#N)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001498444176 893678975 /nfs/dbraw/zinc/67/89/75/893678975.db2.gz MOVOQKCSPXZTRF-SSDOTTSWSA-N -1 0 268.277 -1.351 20 30 CAEDRM CC#CCN1CC[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001499109151 893706495 /nfs/dbraw/zinc/70/64/95/893706495.db2.gz XZYORMJVVPXXEE-VIFPVBQESA-N -1 0 279.300 -1.097 20 30 CAEDRM C#CCN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001500815060 893762739 /nfs/dbraw/zinc/76/27/39/893762739.db2.gz RXWCQUJGZCJCRU-UHFFFAOYSA-N -1 0 264.285 -1.167 20 30 CAEDRM N#CCNC[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001506903787 893947598 /nfs/dbraw/zinc/94/75/98/893947598.db2.gz YCUZFYZIFOQAGZ-ZKCHVHJHSA-N -1 0 280.288 -1.303 20 30 CAEDRM CN(CCOCCNCC#N)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001508187761 894086153 /nfs/dbraw/zinc/08/61/53/894086153.db2.gz MLCZMXWFYHSWQU-UHFFFAOYSA-N -1 0 298.303 -1.723 20 30 CAEDRM CCN(CCO)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001543412028 894468807 /nfs/dbraw/zinc/46/88/07/894468807.db2.gz YVWBDMHFUFXONG-UHFFFAOYSA-N -1 0 266.257 -1.339 20 30 CAEDRM C[C@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001543411148 894470029 /nfs/dbraw/zinc/47/00/29/894470029.db2.gz AOAITGNIAACXND-ZETCQYMHSA-N -1 0 266.257 -1.292 20 30 CAEDRM C#CCN(C(=O)CCc1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC001545062098 894477009 /nfs/dbraw/zinc/47/70/09/894477009.db2.gz BYZWHTYITIWCCY-SECBINFHSA-N -1 0 297.340 -1.219 20 30 CAEDRM C=C[C@H](C)O[N-]C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001557327101 894598027 /nfs/dbraw/zinc/59/80/27/894598027.db2.gz XXMQKABHOMFACH-YUMQZZPRSA-N -1 0 268.277 -1.200 20 30 CAEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001557325764 894598286 /nfs/dbraw/zinc/59/82/86/894598286.db2.gz IEAVCELAWVBTAO-BQBZGAKWSA-N -1 0 262.287 -1.478 20 30 CAEDRM C#CCO[N-]C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001557458402 894599212 /nfs/dbraw/zinc/59/92/12/894599212.db2.gz XIDSQVIBMCQTKA-SSDOTTSWSA-N -1 0 252.234 -2.141 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NCCNS(=O)(=O)N(C)C ZINC001588624413 983732059 /nfs/dbraw/zinc/73/20/59/983732059.db2.gz HXPUGIRMKNMCEU-UHFFFAOYSA-N -1 0 293.345 -1.080 20 30 CAEDRM C=C[C@@H](C(=O)[O-])N1CCN(CCS(N)(=O)=O)CC1 ZINC001588670305 983820622 /nfs/dbraw/zinc/82/06/22/983820622.db2.gz ZQPILTJAIWVFEA-VIFPVBQESA-N -1 0 277.346 -1.468 20 30 CAEDRM COCC#CCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001604504750 973429391 /nfs/dbraw/zinc/42/93/91/973429391.db2.gz DVICQFIWBJHBBO-SECBINFHSA-N -1 0 261.299 -1.180 20 30 CAEDRM CN(C)S(=O)(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001610904609 970782438 /nfs/dbraw/zinc/78/24/38/970782438.db2.gz CHDDXGOAVHZVJD-SNVBAGLBSA-N -1 0 291.329 -1.001 20 30 CAEDRM N#C[C@H]1COCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001611291420 970978616 /nfs/dbraw/zinc/97/86/16/970978616.db2.gz YPSIAMFLDAKIRB-POYBYMJQSA-N -1 0 253.214 -1.033 20 30 CAEDRM C#CC[C@H](COC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001602675347 971247516 /nfs/dbraw/zinc/24/75/16/971247516.db2.gz RKQWMURAEIVVCB-ZJUUUORDSA-N -1 0 298.295 -1.547 20 30 CAEDRM C#CC[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001602675344 971247596 /nfs/dbraw/zinc/24/75/96/971247596.db2.gz RKQWMURAEIVVCB-NXEZZACHSA-N -1 0 298.295 -1.547 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)N=c1nc[nH]n1C(C)C ZINC001602679914 971263612 /nfs/dbraw/zinc/26/36/12/971263612.db2.gz ZLUXHDZYDMFXMZ-UHFFFAOYSA-N -1 0 293.283 -1.234 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)COCc1nncn1C ZINC001602682037 971264602 /nfs/dbraw/zinc/26/46/02/971264602.db2.gz DHVSRPFLVIIFOT-UHFFFAOYSA-N -1 0 266.257 -1.122 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CC1C(=O)N=CNC1=O ZINC001602684313 971279901 /nfs/dbraw/zinc/27/99/01/971279901.db2.gz VPVJDNRSDYAUGR-UHFFFAOYSA-N -1 0 265.225 -1.023 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001602686135 971285102 /nfs/dbraw/zinc/28/51/02/971285102.db2.gz RTEHBJOBJGVTNP-BDAKNGLRSA-N -1 0 283.284 -1.251 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001602686138 971285243 /nfs/dbraw/zinc/28/52/43/971285243.db2.gz RTEHBJOBJGVTNP-IUCAKERBSA-N -1 0 283.284 -1.251 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001602686139 971286591 /nfs/dbraw/zinc/28/65/91/971286591.db2.gz RTEHBJOBJGVTNP-RKDXNWHRSA-N -1 0 283.284 -1.251 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC001602688901 971293229 /nfs/dbraw/zinc/29/32/29/971293229.db2.gz YRHMPIOJISJXCM-ZKCHVHJHSA-N -1 0 253.258 -1.020 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC001602695310 971306311 /nfs/dbraw/zinc/30/63/11/971306311.db2.gz CIRPTYAZBSGSGZ-CMPLNLGQSA-N -1 0 257.286 -1.091 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001602695314 971306770 /nfs/dbraw/zinc/30/67/70/971306770.db2.gz CIRPTYAZBSGSGZ-JQWIXIFHSA-N -1 0 257.286 -1.091 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](COC)OC ZINC001602699145 971315941 /nfs/dbraw/zinc/31/59/41/971315941.db2.gz KLPIIFHBZPLMMC-SECBINFHSA-N -1 0 279.314 -1.003 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001602699376 971316765 /nfs/dbraw/zinc/31/67/65/971316765.db2.gz QGHVGIBSKJHMSK-SECBINFHSA-N -1 0 287.297 -1.525 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001602699377 971316957 /nfs/dbraw/zinc/31/69/57/971316957.db2.gz QGHVGIBSKJHMSK-VIFPVBQESA-N -1 0 287.297 -1.525 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001602699689 971317979 /nfs/dbraw/zinc/31/79/79/971317979.db2.gz YWKIQRVDQIPCRI-SNVBAGLBSA-N -1 0 290.341 -1.333 20 30 CAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001602702956 971333067 /nfs/dbraw/zinc/33/30/67/971333067.db2.gz ZQJWDVVJIJJBNR-UHFFFAOYSA-N -1 0 275.286 -2.317 20 30 CAEDRM C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602718516 971375370 /nfs/dbraw/zinc/37/53/70/971375370.db2.gz ORGSVQUYHKDXEC-QMMMGPOBSA-N -1 0 296.283 -1.041 20 30 CAEDRM C=C[C@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001602730934 971410224 /nfs/dbraw/zinc/41/02/24/971410224.db2.gz LDYDNNTYYRGPBL-SSDOTTSWSA-N -1 0 282.256 -1.431 20 30 CAEDRM CC#CCNC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573358632 947665387 /nfs/dbraw/zinc/66/53/87/947665387.db2.gz NTAZSJYOBUBXQF-UHFFFAOYSA-N -1 0 289.255 -1.732 20 30 CAEDRM CC#CCn1nnnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001602735052 971415992 /nfs/dbraw/zinc/41/59/92/971415992.db2.gz MDIJVGNIIYRBSG-MRVPVSSYSA-N -1 0 251.246 -1.014 20 30 CAEDRM C=CCNC(=O)CN1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000041073311 948864488 /nfs/dbraw/zinc/86/44/88/948864488.db2.gz MBDIHRSXFSZZOB-UHFFFAOYSA-N -1 0 299.327 -1.466 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC001602779288 971516343 /nfs/dbraw/zinc/51/63/43/971516343.db2.gz WPBSDLAKXLGOSS-GHMZBOCLSA-N -1 0 269.257 -1.560 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000092477274 949147949 /nfs/dbraw/zinc/14/79/49/949147949.db2.gz KHJONNWJUCOISF-QMMMGPOBSA-N -1 0 259.283 -1.033 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000092478425 949150074 /nfs/dbraw/zinc/15/00/74/949150074.db2.gz MVXQVAGNEAWJGL-UHFFFAOYSA-N -1 0 281.268 -1.137 20 30 CAEDRM C[C@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001575864202 949356665 /nfs/dbraw/zinc/35/66/65/949356665.db2.gz GAIAJCWQJKCKOX-LURJTMIESA-N -1 0 285.271 -1.147 20 30 CAEDRM O=C([O-])c1cnc(C(=O)N[C@@H]2CCN(O)C2=O)cn1 ZINC001595267234 949763082 /nfs/dbraw/zinc/76/30/82/949763082.db2.gz DCUQNDDGVVKRPO-RXMQYKEDSA-N -1 0 266.213 -1.105 20 30 CAEDRM O=C([O-])c1cnc(C(=O)N[C@H]2CCN(O)C2=O)cn1 ZINC001595267238 949763679 /nfs/dbraw/zinc/76/36/79/949763679.db2.gz DCUQNDDGVVKRPO-YFKPBYRVSA-N -1 0 266.213 -1.105 20 30 CAEDRM O=C([O-])[C@]1(C(=O)N[C@@H]2CCN(O)C2=O)CCCO1 ZINC001595280190 949972717 /nfs/dbraw/zinc/97/27/17/949972717.db2.gz RTEMRUCNPJQLRR-LHLIQPBNSA-N -1 0 258.230 -1.274 20 30 CAEDRM CCN(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001589713645 950351257 /nfs/dbraw/zinc/35/12/57/950351257.db2.gz AOUVLTUQMCVNCD-UHFFFAOYSA-N -1 0 294.267 -1.555 20 30 CAEDRM CCOC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001590728383 950992670 /nfs/dbraw/zinc/99/26/70/950992670.db2.gz JYMYKZKWIWSJDO-UHFFFAOYSA-N -1 0 281.224 -1.471 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000381333419 951207262 /nfs/dbraw/zinc/20/72/62/951207262.db2.gz ITEVSMZFMRIEMZ-QMMMGPOBSA-N -1 0 253.258 -1.054 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396637813 951480946 /nfs/dbraw/zinc/48/09/46/951480946.db2.gz FWXOWIBMCPMGIO-UHFFFAOYSA-N -1 0 253.258 -2.035 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCc1nnn(C)n1 ZINC000398007860 951580272 /nfs/dbraw/zinc/58/02/72/951580272.db2.gz ALHZXFYYBSJYAQ-UHFFFAOYSA-N -1 0 252.234 -1.561 20 30 CAEDRM O=C([O-])CN1CCC[C@H](C(=O)NCC#CCO)C1=O ZINC001595082977 951704256 /nfs/dbraw/zinc/70/42/56/951704256.db2.gz IQFNMXOZGBZUTI-SECBINFHSA-N -1 0 268.269 -1.579 20 30 CAEDRM CN(CC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001593723587 954265212 /nfs/dbraw/zinc/26/52/12/954265212.db2.gz RPJFCULLVMFNID-ZETCQYMHSA-N -1 0 263.275 -1.528 20 30 CAEDRM CN(CC(=O)[O-])S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001593723586 954265946 /nfs/dbraw/zinc/26/59/46/954265946.db2.gz RPJFCULLVMFNID-SSDOTTSWSA-N -1 0 263.275 -1.528 20 30 CAEDRM CN(CCC#N)C(=O)CCN1CCN(C(=O)C(=O)[O-])CC1 ZINC001593728226 954298668 /nfs/dbraw/zinc/29/86/68/954298668.db2.gz DIILQNRDXCQEJA-UHFFFAOYSA-N -1 0 296.327 -1.023 20 30 CAEDRM CN(CCC#N)S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001593728304 954299177 /nfs/dbraw/zinc/29/91/77/954299177.db2.gz GVJZQDKGJBMZPM-MRVPVSSYSA-N -1 0 265.291 -1.498 20 30 CAEDRM CCC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001589420379 954595885 /nfs/dbraw/zinc/59/58/85/954595885.db2.gz SUWPRWCBYWIEPW-UHFFFAOYSA-N -1 0 265.225 -1.055 20 30 CAEDRM COC(=O)CN(CC#N)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001593850591 955452776 /nfs/dbraw/zinc/45/27/76/955452776.db2.gz KBGUPPJMTSQAEW-QMMMGPOBSA-N -1 0 269.257 -1.330 20 30 CAEDRM Cn1ccnc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001594556182 955763166 /nfs/dbraw/zinc/76/31/66/955763166.db2.gz UHQASLJTGKBOHN-UHFFFAOYSA-N -1 0 289.251 -1.252 20 30 CAEDRM Cn1nccc1[C@H](NCC(=O)NCC#N)C(=O)[O-] ZINC001594590182 956049110 /nfs/dbraw/zinc/04/91/10/956049110.db2.gz FZMSQOLYQRRVFV-VIFPVBQESA-N -1 0 251.246 -1.225 20 30 CAEDRM Cn1nccc1[C@@H](NCC(=O)NCC#N)C(=O)[O-] ZINC001594590181 956049437 /nfs/dbraw/zinc/04/94/37/956049437.db2.gz FZMSQOLYQRRVFV-SECBINFHSA-N -1 0 251.246 -1.225 20 30 CAEDRM Cn1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC001594596144 956089234 /nfs/dbraw/zinc/08/92/34/956089234.db2.gz DANHIBIIMPMNKX-VIFPVBQESA-N -1 0 252.234 -1.169 20 30 CAEDRM N#C[C@H](CO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594601270 956132480 /nfs/dbraw/zinc/13/24/80/956132480.db2.gz KYAFPZAQXYKOIX-SSDOTTSWSA-N -1 0 290.297 -1.733 20 30 CAEDRM N#C[C@@H](CO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594601273 956134163 /nfs/dbraw/zinc/13/41/63/956134163.db2.gz KYAFPZAQXYKOIX-ZETCQYMHSA-N -1 0 290.297 -1.733 20 30 CAEDRM N#C[C@@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CCO1 ZINC001594605853 956173603 /nfs/dbraw/zinc/17/36/03/956173603.db2.gz KVMZCCJWSOGJRL-SSDOTTSWSA-N -1 0 255.230 -1.672 20 30 CAEDRM N#C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCO1 ZINC001594605953 956174992 /nfs/dbraw/zinc/17/49/92/956174992.db2.gz NDPCTAZGGBBOMA-HRDYMLBCSA-N -1 0 289.313 -1.092 20 30 CAEDRM N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001594606234 956179530 /nfs/dbraw/zinc/17/95/30/956179530.db2.gz SQDSYJITRSYEAL-BDAKNGLRSA-N -1 0 289.313 -1.138 20 30 CAEDRM N#CCNC(=O)CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594610199 956200031 /nfs/dbraw/zinc/20/00/31/956200031.db2.gz SMBXAHXXRAWCQT-UHFFFAOYSA-N -1 0 292.251 -1.698 20 30 CAEDRM N#C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001594612100 956225487 /nfs/dbraw/zinc/22/54/87/956225487.db2.gz YWWOZXKWQYRECM-HTQZYQBOSA-N -1 0 251.242 -1.099 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC(=O)C(F)F)c1=O ZINC001594632833 956353755 /nfs/dbraw/zinc/35/37/55/956353755.db2.gz DOQOBMCWWUEGPL-UHFFFAOYSA-N -1 0 287.178 -1.200 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@@H]2CCC(=O)O2)c1=O ZINC001594632932 956354957 /nfs/dbraw/zinc/35/49/57/956354957.db2.gz INILIAMIGIPLIL-QMMMGPOBSA-N -1 0 293.235 -1.328 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CCC2OCCO2)c1=O ZINC001594633444 956357391 /nfs/dbraw/zinc/35/73/91/956357391.db2.gz SOGINTGXXIOLAH-UHFFFAOYSA-N -1 0 295.251 -1.271 20 30 CAEDRM COCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(N)=O ZINC001593990782 956842402 /nfs/dbraw/zinc/84/24/02/956842402.db2.gz PGEDQHFFRQVWKZ-RDDDGLTNSA-N -1 0 271.273 -1.002 20 30 CAEDRM C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001603133725 972224298 /nfs/dbraw/zinc/22/42/98/972224298.db2.gz WEUVYZOKUDYHBH-HTQZYQBOSA-N -1 0 277.302 -1.092 20 30 CAEDRM C[C@@H](CN(C)C(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001603144623 972240126 /nfs/dbraw/zinc/24/01/26/972240126.db2.gz CUKDZIGJMWDBNK-IUCAKERBSA-N -1 0 283.284 -1.084 20 30 CAEDRM COCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001594022807 957680464 /nfs/dbraw/zinc/68/04/64/957680464.db2.gz SMDHRRPCVTZPEB-UHFFFAOYSA-N -1 0 253.214 -1.387 20 30 CAEDRM N#CCCNC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071248419 957713326 /nfs/dbraw/zinc/71/33/26/957713326.db2.gz JCZSGIBEFIVILK-QMMMGPOBSA-N -1 0 268.273 -1.709 20 30 CAEDRM C#CC1(O)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001588382689 957968608 /nfs/dbraw/zinc/96/86/08/957968608.db2.gz SVLNSPLKLOUQGX-UHFFFAOYSA-N -1 0 288.325 -1.292 20 30 CAEDRM C#CC1(O)CN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588385931 957974628 /nfs/dbraw/zinc/97/46/28/957974628.db2.gz LJFQUTWXZDRFCA-UHFFFAOYSA-N -1 0 286.284 -1.506 20 30 CAEDRM C#CC1(O)CN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001588386782 957983355 /nfs/dbraw/zinc/98/33/55/957983355.db2.gz VRVMYPQJRBYPOO-UHFFFAOYSA-N -1 0 250.214 -1.817 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001588388572 957996365 /nfs/dbraw/zinc/99/63/65/957996365.db2.gz CPCDJKLBLPWZLS-QMMMGPOBSA-N -1 0 254.242 -1.562 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NCCC(=O)[O-] ZINC001588388569 957997148 /nfs/dbraw/zinc/99/71/48/957997148.db2.gz CPCDJKLBLPWZLS-MRVPVSSYSA-N -1 0 254.242 -1.562 20 30 CAEDRM C#CCC[C@H](O)CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001588392137 958030535 /nfs/dbraw/zinc/03/05/35/958030535.db2.gz SZGCEPNKLQTVAF-QMMMGPOBSA-N -1 0 266.257 -1.133 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC001588395025 958036430 /nfs/dbraw/zinc/03/64/30/958036430.db2.gz INJXUMCMLSRLRA-UHFFFAOYSA-N -1 0 280.240 -1.097 20 30 CAEDRM C#CCCn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001588395132 958038794 /nfs/dbraw/zinc/03/87/94/958038794.db2.gz COSHCULLCLNSLQ-QMMMGPOBSA-N -1 0 251.246 -1.014 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncc(OC)cn1 ZINC001588397325 958054108 /nfs/dbraw/zinc/05/41/08/958054108.db2.gz DOGRLSIDFHIHMU-UHFFFAOYSA-N -1 0 292.251 -1.030 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC001588397651 958059933 /nfs/dbraw/zinc/05/99/33/958059933.db2.gz PKAXOFWNOJFSJI-GZMMTYOYSA-N -1 0 282.296 -1.192 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC001588397654 958060448 /nfs/dbraw/zinc/06/04/48/958060448.db2.gz PKAXOFWNOJFSJI-LDYMZIIASA-N -1 0 282.296 -1.192 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC001588397652 958060629 /nfs/dbraw/zinc/06/06/29/958060629.db2.gz PKAXOFWNOJFSJI-KCJUWKMLSA-N -1 0 282.296 -1.192 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C1(CS(C)(=O)=O)COC1 ZINC001588397742 958062528 /nfs/dbraw/zinc/06/25/28/958062528.db2.gz SOFRCMCFRRSIGF-UHFFFAOYSA-N -1 0 289.309 -1.406 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](O)Cc1cnn(C)c1 ZINC001588397786 958063112 /nfs/dbraw/zinc/06/31/12/958063112.db2.gz UNQOQXHMDMLMHD-SNVBAGLBSA-N -1 0 265.269 -1.130 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](CCC)S(N)(=O)=O ZINC001588397775 958064144 /nfs/dbraw/zinc/06/41/44/958064144.db2.gz UFTFCLCJAFJXRF-MRVPVSSYSA-N -1 0 276.314 -1.010 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccnn1C ZINC001588397921 958066786 /nfs/dbraw/zinc/06/67/86/958066786.db2.gz YQDWBDOXGINDPE-UHFFFAOYSA-N -1 0 264.241 -1.095 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@]1(OC)CCS(=O)(=O)C1 ZINC001588398883 958069475 /nfs/dbraw/zinc/06/94/75/958069475.db2.gz DEDVBKFTIIXSRB-LLVKDONJSA-N -1 0 289.309 -1.264 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001588400101 958077322 /nfs/dbraw/zinc/07/73/22/958077322.db2.gz RGQBCKMKWTVURA-MNOVXSKESA-N -1 0 265.313 -1.079 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CCN=C2C1=NNN2C ZINC001588400480 958082132 /nfs/dbraw/zinc/08/21/32/958082132.db2.gz YNMOMSSAQCDINC-QMMMGPOBSA-N -1 0 277.284 -1.243 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001588400464 958082988 /nfs/dbraw/zinc/08/29/88/958082988.db2.gz YIJQHECZQUFNCP-NSHDSACASA-N -1 0 265.313 -1.077 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN(C)S(C)(=O)=O ZINC001588401679 958084219 /nfs/dbraw/zinc/08/42/19/958084219.db2.gz AMDDALWTXGREGA-UHFFFAOYSA-N -1 0 262.287 -1.576 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CC(=O)NC1=O ZINC001588401930 958085519 /nfs/dbraw/zinc/08/55/19/958085519.db2.gz GGLPQDLLXHGEDO-ZETCQYMHSA-N -1 0 252.226 -1.414 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)CC ZINC001588402157 958088446 /nfs/dbraw/zinc/08/84/46/958088446.db2.gz MWDXPRFCEDSXRV-UHFFFAOYSA-N -1 0 276.314 -1.186 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1cnc(C(N)=O)n1 ZINC001588406909 958095968 /nfs/dbraw/zinc/09/59/68/958095968.db2.gz FMSRKCWXYXLKBA-UHFFFAOYSA-N -1 0 265.229 -2.077 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1cc([C@H](C)O)nn1 ZINC001588407836 958103746 /nfs/dbraw/zinc/10/37/46/958103746.db2.gz WYWGWXBJDSZCAJ-QMMMGPOBSA-N -1 0 266.257 -1.122 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCCN1C(=O)CNC1=O ZINC001588408458 958111999 /nfs/dbraw/zinc/11/19/99/958111999.db2.gz NYVQHWDGOIJWMD-UHFFFAOYSA-N -1 0 296.283 -1.342 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](CO)NC(=O)C(C)C ZINC001588417512 958174154 /nfs/dbraw/zinc/17/41/54/958174154.db2.gz SGWDQXFLRRIQON-VIFPVBQESA-N -1 0 270.285 -1.334 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001588417536 958174716 /nfs/dbraw/zinc/17/47/16/958174716.db2.gz UQAASOPTDSIZRT-QMMMGPOBSA-N -1 0 294.271 -2.276 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)NCC(=O)N1CCCC1 ZINC001588420134 958199920 /nfs/dbraw/zinc/19/99/20/958199920.db2.gz MSYKQAYKVONJST-UHFFFAOYSA-N -1 0 281.312 -1.255 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=S)NCCS(C)(=O)=O ZINC001588420257 958201478 /nfs/dbraw/zinc/20/14/78/958201478.db2.gz SDSRXOPGCNBUDB-UHFFFAOYSA-N -1 0 278.355 -1.075 20 30 CAEDRM C#CCN(CC(=O)[O-])CC1CN(S(C)(=O)=O)C1 ZINC001588424049 958209874 /nfs/dbraw/zinc/20/98/74/958209874.db2.gz JEAYABUTRSGCLX-UHFFFAOYSA-N -1 0 260.315 -1.102 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001588425091 958223058 /nfs/dbraw/zinc/22/30/58/958223058.db2.gz DOWVHOPATGOXGG-QGZVFWFLSA-N -1 0 297.358 -1.175 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001588425084 958223214 /nfs/dbraw/zinc/22/32/14/958223214.db2.gz DOWVHOPATGOXGG-KRWDZBQOSA-N -1 0 297.358 -1.175 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)N1CCN(C)CC1 ZINC001588425232 958225079 /nfs/dbraw/zinc/22/50/79/958225079.db2.gz KEUAMLYXKBLUOH-UHFFFAOYSA-N -1 0 275.330 -1.502 20 30 CAEDRM C#CCNC(=O)CCN1CCN(C(=O)C(=O)[O-])CC1 ZINC001588430028 958250638 /nfs/dbraw/zinc/25/06/38/958250638.db2.gz GFMJQFIDUUYDQH-UHFFFAOYSA-N -1 0 267.285 -1.645 20 30 CAEDRM C#CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588430195 958252503 /nfs/dbraw/zinc/25/25/03/958252503.db2.gz JUCATRQPTOPOCW-MRVPVSSYSA-N -1 0 274.298 -2.081 20 30 CAEDRM N#C[C@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)CCO1 ZINC000093937300 958260077 /nfs/dbraw/zinc/26/00/77/958260077.db2.gz WGMNVDIASHNCDA-QMMMGPOBSA-N -1 0 294.271 -1.090 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC001588430904 958261097 /nfs/dbraw/zinc/26/10/97/958261097.db2.gz QBQYEBYIDZXCOX-UHFFFAOYSA-N -1 0 295.339 -1.009 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588431159 958265020 /nfs/dbraw/zinc/26/50/20/958265020.db2.gz KRRVJKMUYBWCKM-SECBINFHSA-N -1 0 284.268 -1.936 20 30 CAEDRM C#CCO[C@H](C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588431306 958265525 /nfs/dbraw/zinc/26/55/25/958265525.db2.gz MYVWPUNOCGRHAU-SECBINFHSA-N -1 0 268.269 -1.220 20 30 CAEDRM C=C[C@@H](O)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001588452164 958418505 /nfs/dbraw/zinc/41/85/05/958418505.db2.gz KLUAOAMFDGIMSN-KCJUWKMLSA-N -1 0 259.258 -1.138 20 30 CAEDRM N#Cc1ccc(C(=O)NCC(=O)NCC(=O)[O-])nc1 ZINC000111280784 958423133 /nfs/dbraw/zinc/42/31/33/958423133.db2.gz QMSYYUBRBNDODC-UHFFFAOYSA-N -1 0 262.225 -1.116 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCc1nc(N)n[nH]1 ZINC001573317282 958448586 /nfs/dbraw/zinc/44/85/86/958448586.db2.gz FWZNBQUMUSYNIX-UHFFFAOYSA-N -1 0 252.234 -1.384 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001573318281 958462497 /nfs/dbraw/zinc/46/24/97/958462497.db2.gz UQAASOPTDSIZRT-MRVPVSSYSA-N -1 0 294.271 -2.276 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)CCN1CCOC1=O ZINC001573320819 958477784 /nfs/dbraw/zinc/47/77/84/958477784.db2.gz OETPKRFOVHHVCX-UHFFFAOYSA-N -1 0 290.297 -1.212 20 30 CAEDRM C=CCOC[C@@H](NC(=O)COCC(=O)[O-])C(=O)OC ZINC001588465054 958495300 /nfs/dbraw/zinc/49/53/00/958495300.db2.gz FSGPJHZLPUPIFX-MRVPVSSYSA-N -1 0 275.257 -1.052 20 30 CAEDRM C=C(CO)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001573329176 958506038 /nfs/dbraw/zinc/50/60/38/958506038.db2.gz AIHHHLYKGRUNKZ-ZETCQYMHSA-N -1 0 263.271 -1.755 20 30 CAEDRM C#CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000124806717 958545406 /nfs/dbraw/zinc/54/54/06/958545406.db2.gz NQACRNOSQHIAJU-VIFPVBQESA-N -1 0 288.325 -1.691 20 30 CAEDRM C=C[C@H](CO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588478289 958563898 /nfs/dbraw/zinc/56/38/98/958563898.db2.gz CXKGMTOYDMFLLT-MRVPVSSYSA-N -1 0 291.325 -1.071 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001573359850 958588010 /nfs/dbraw/zinc/58/80/10/958588010.db2.gz KRHIHUYJCJEKOC-VHSKPIJISA-N -1 0 256.258 -1.197 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001573364592 958615774 /nfs/dbraw/zinc/61/57/74/958615774.db2.gz PMILQSJOBJLQON-XCBNKYQSSA-N -1 0 292.313 -1.487 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001573364591 958615848 /nfs/dbraw/zinc/61/58/48/958615848.db2.gz PMILQSJOBJLQON-OIBJUYFYSA-N -1 0 292.313 -1.487 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CN1CCOCC1 ZINC001588538688 958944831 /nfs/dbraw/zinc/94/48/31/958944831.db2.gz MPQXYLAHEPMRCC-GXFFZTMASA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NN1CCS(=O)(=O)CC1 ZINC001588541948 958967841 /nfs/dbraw/zinc/96/78/41/958967841.db2.gz OSIYTOWCWMSUNN-JTQLQIEISA-N -1 0 289.313 -1.247 20 30 CAEDRM C[C@H](C#N)CN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588543978 958984939 /nfs/dbraw/zinc/98/49/39/958984939.db2.gz XHDDDLFNCCBOKV-RKDXNWHRSA-N -1 0 283.284 -1.084 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000149590335 959019181 /nfs/dbraw/zinc/01/91/81/959019181.db2.gz WCBYZYWRQWVGGZ-SSDOTTSWSA-N -1 0 265.225 -1.871 20 30 CAEDRM C#CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000149848110 959028918 /nfs/dbraw/zinc/02/89/18/959028918.db2.gz XRJPIROLMWVTHV-SSDOTTSWSA-N -1 0 281.268 -1.091 20 30 CAEDRM C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])n1cnc(C#N)n1 ZINC001588553069 959040409 /nfs/dbraw/zinc/04/04/09/959040409.db2.gz BZGZPRZRSALEAA-QUBYGPBYSA-N -1 0 267.245 -1.337 20 30 CAEDRM C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])n1cnc(C#N)n1 ZINC001588553067 959040743 /nfs/dbraw/zinc/04/07/43/959040743.db2.gz BZGZPRZRSALEAA-LDWIPMOCSA-N -1 0 267.245 -1.337 20 30 CAEDRM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC#CCO)C2 ZINC001605752562 972412787 /nfs/dbraw/zinc/41/27/87/972412787.db2.gz HMWIHIZVFUWQRK-BXKDBHETSA-N -1 0 268.269 -1.275 20 30 CAEDRM Cc1nc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)no1 ZINC001594456938 959427228 /nfs/dbraw/zinc/42/72/28/959427228.db2.gz ASMAVADMEOMZSO-UHFFFAOYSA-N -1 0 291.223 -1.294 20 30 CAEDRM C[C@@H](C(=O)OCC(=O)C(=O)[O-])n1cnc(C#N)n1 ZINC001588607239 959484532 /nfs/dbraw/zinc/48/45/32/959484532.db2.gz RANGLQCCLJMSMA-YFKPBYRVSA-N -1 0 252.186 -1.092 20 30 CAEDRM C[C@H](C(=O)OCC(=O)C(=O)[O-])n1cnc(C#N)n1 ZINC001588607235 959484708 /nfs/dbraw/zinc/48/47/08/959484708.db2.gz RANGLQCCLJMSMA-RXMQYKEDSA-N -1 0 252.186 -1.092 20 30 CAEDRM C[C@](O)(CNC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001573634183 959579593 /nfs/dbraw/zinc/57/95/93/959579593.db2.gz SDGSAESCAHECPX-VIFPVBQESA-N -1 0 253.218 -1.898 20 30 CAEDRM C[C@@](O)(CNC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001573634177 959579613 /nfs/dbraw/zinc/57/96/13/959579613.db2.gz SDGSAESCAHECPX-SECBINFHSA-N -1 0 253.218 -1.898 20 30 CAEDRM C[C@@](O)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001603262682 972447784 /nfs/dbraw/zinc/44/77/84/972447784.db2.gz AMNVUOHYKYNMJD-VXNVDRBHSA-N -1 0 293.301 -2.119 20 30 CAEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571040460 960563955 /nfs/dbraw/zinc/56/39/55/960563955.db2.gz GHBYFMRWRKSSPX-QMMMGPOBSA-N -1 0 291.329 -1.156 20 30 CAEDRM N#Cc1ncccc1S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000236507819 960693465 /nfs/dbraw/zinc/69/34/65/960693465.db2.gz DIAHVKRDNHPDRA-ZETCQYMHSA-N -1 0 271.254 -1.323 20 30 CAEDRM CCN(CCC#N)C(=O)CN1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001571057531 960743467 /nfs/dbraw/zinc/74/34/67/960743467.db2.gz GHTIKKLZZXNOIN-JTQLQIEISA-N -1 0 296.327 -1.024 20 30 CAEDRM N#CCNC(=O)CNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001574480163 961658612 /nfs/dbraw/zinc/65/86/12/961658612.db2.gz CCOGDNXNDCOFJT-JTQLQIEISA-N -1 0 255.230 -1.624 20 30 CAEDRM N#C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001574480608 961666153 /nfs/dbraw/zinc/66/61/53/961666153.db2.gz NDPCTAZGGBBOMA-IWSPIJDZSA-N -1 0 289.313 -1.092 20 30 CAEDRM N#C[C@H]1CN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1 ZINC001574480607 961666209 /nfs/dbraw/zinc/66/62/09/961666209.db2.gz NDPCTAZGGBBOMA-CIUDSAMLSA-N -1 0 289.313 -1.092 20 30 CAEDRM N#CCC1(O)CN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001574480987 961667203 /nfs/dbraw/zinc/66/72/03/961667203.db2.gz SFHCMEPSWZGSCW-UHFFFAOYSA-N -1 0 265.229 -1.537 20 30 CAEDRM N#CCC1(O)CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1 ZINC001574481068 961669351 /nfs/dbraw/zinc/66/93/51/961669351.db2.gz UHMYIVGJGPYPLI-SSDOTTSWSA-N -1 0 253.214 -1.297 20 30 CAEDRM N#Cc1ncn(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)n1 ZINC001574494077 961725332 /nfs/dbraw/zinc/72/53/32/961725332.db2.gz VSLVUJUPBYJKPW-LLVKDONJSA-N -1 0 279.256 -1.100 20 30 CAEDRM COC(=O)C1(O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1 ZINC001574046205 962108877 /nfs/dbraw/zinc/10/88/77/962108877.db2.gz NJRUJRMTRRUZAV-JTQLQIEISA-N -1 0 270.241 -1.263 20 30 CAEDRM C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)[O-] ZINC001573301503 962628725 /nfs/dbraw/zinc/62/87/25/962628725.db2.gz FIEYCVOQHZIIDL-SECBINFHSA-N -1 0 257.290 -1.362 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001573302959 962666125 /nfs/dbraw/zinc/66/61/25/962666125.db2.gz IHHSFJMOROEKCI-QMMMGPOBSA-N -1 0 297.354 -1.183 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-] ZINC001573302958 962666807 /nfs/dbraw/zinc/66/68/07/962666807.db2.gz IHHSFJMOROEKCI-MRVPVSSYSA-N -1 0 297.354 -1.183 20 30 CAEDRM C#CC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)[O-] ZINC001573302995 962667810 /nfs/dbraw/zinc/66/78/10/962667810.db2.gz SVVQMQZWSOJCHV-WDSKDSINSA-N -1 0 253.214 -1.823 20 30 CAEDRM C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)[O-])C1 ZINC001573303379 962675117 /nfs/dbraw/zinc/67/51/17/962675117.db2.gz NLZBPZYGRAZWFP-NXEZZACHSA-N -1 0 297.311 -1.255 20 30 CAEDRM C#CC1(O)CN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001573303367 962675204 /nfs/dbraw/zinc/67/52/04/962675204.db2.gz XCTDAKXXTURMKP-OCAPTIKFSA-N -1 0 259.283 -1.141 20 30 CAEDRM C#CCO[C@@H](C)C(=O)N1CC(N(C)C(=O)CNC(=O)[O-])C1 ZINC001573310794 962690427 /nfs/dbraw/zinc/69/04/27/962690427.db2.gz CSWZEWHBTYFQPA-VIFPVBQESA-N -1 0 297.311 -1.039 20 30 CAEDRM C#CCOCCC(=O)N(C)CCNC(=O)CNC(=O)[O-] ZINC001573310972 962693212 /nfs/dbraw/zinc/69/32/12/962693212.db2.gz FYRKUFHUOXDPHO-UHFFFAOYSA-N -1 0 285.300 -1.132 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)CNC(=O)[O-])[C@@H](O)C1 ZINC001573311357 962699069 /nfs/dbraw/zinc/69/90/69/962699069.db2.gz NHRWRSDEBVHHMN-BDAKNGLRSA-N -1 0 255.274 -1.561 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)CNC(=O)[O-])[C@H](O)C1 ZINC001573311358 962699775 /nfs/dbraw/zinc/69/97/75/962699775.db2.gz NHRWRSDEBVHHMN-DTWKUNHWSA-N -1 0 255.274 -1.561 20 30 CAEDRM C#CCOCCC(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001573311389 962700659 /nfs/dbraw/zinc/70/06/59/962700659.db2.gz ODXYSTXNSVXWHD-VHSXEESVSA-N -1 0 282.296 -1.021 20 30 CAEDRM C#CCOCCC(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001573311390 962702049 /nfs/dbraw/zinc/70/20/49/962702049.db2.gz ODXYSTXNSVXWHD-ZJUUUORDSA-N -1 0 282.296 -1.021 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC001573321000 962754669 /nfs/dbraw/zinc/75/46/69/962754669.db2.gz HMRPTNXYZGZNAH-SSDOTTSWSA-N -1 0 297.267 -1.057 20 30 CAEDRM C=C(C)C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)[O-] ZINC001573321002 962754844 /nfs/dbraw/zinc/75/48/44/962754844.db2.gz HMRPTNXYZGZNAH-ZETCQYMHSA-N -1 0 297.267 -1.057 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001588988065 962773601 /nfs/dbraw/zinc/77/36/01/962773601.db2.gz RJLKGVGIPCSPSR-IONNQARKSA-N -1 0 279.318 -1.110 20 30 CAEDRM C=C[C@@](C)(O)CC(=O)NCCNC(=O)CNC(=O)[O-] ZINC001573348707 962960531 /nfs/dbraw/zinc/96/05/31/962960531.db2.gz ZVMUYZUSQVXRNP-LLVKDONJSA-N -1 0 273.289 -1.187 20 30 CAEDRM C=CCOCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001573369099 963092613 /nfs/dbraw/zinc/09/26/13/963092613.db2.gz OLWDOPMYTYSGTE-MRVPVSSYSA-N -1 0 277.298 -1.101 20 30 CAEDRM C=CCOC[C@H](NC(=O)CN(C)C(=O)COC)C(=O)[O-] ZINC001573369214 963093629 /nfs/dbraw/zinc/09/36/29/963093629.db2.gz PSCZSHITQLYIJH-VIFPVBQESA-N -1 0 288.300 -1.137 20 30 CAEDRM C#CCCN1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001588448087 964093003 /nfs/dbraw/zinc/09/30/03/964093003.db2.gz WXZLWHOBZQGPDZ-UWVGGRQHSA-N -1 0 266.297 -1.107 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCNS(C)(=O)=O ZINC000092484151 967597566 /nfs/dbraw/zinc/59/75/66/967597566.db2.gz YKLZTQIKGXKECM-UHFFFAOYSA-N -1 0 277.302 -1.735 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC000230761741 967733289 /nfs/dbraw/zinc/73/32/89/967733289.db2.gz YPVGOIQBBZUNFF-HTRCEHHLSA-N -1 0 253.214 -1.033 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC000230761735 967733721 /nfs/dbraw/zinc/73/37/21/967733721.db2.gz YPVGOIQBBZUNFF-SVRRBLITSA-N -1 0 253.214 -1.033 20 30 CAEDRM O=C([O-])C1(C(=O)N[C@H]2CCN(O)C2=O)CCOCC1 ZINC001574824990 969877404 /nfs/dbraw/zinc/87/74/04/969877404.db2.gz IUIFOKCFKQPXPT-ZETCQYMHSA-N -1 0 272.257 -1.026 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCC(=O)[O-] ZINC001609623971 970424329 /nfs/dbraw/zinc/42/43/29/970424329.db2.gz PYHCCWHEDDYFKY-VIFPVBQESA-N -1 0 268.269 -1.220 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001609696340 970456886 /nfs/dbraw/zinc/45/68/86/970456886.db2.gz PBUARWLKTHTZKG-VXNVDRBHSA-N -1 0 279.318 -1.252 20 30 CAEDRM COC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001604341044 973026932 /nfs/dbraw/zinc/02/69/32/973026932.db2.gz ASDSRXWBCGWVIR-UHFFFAOYSA-N -1 0 267.197 -1.861 20 30 CAEDRM COC[C@]1(C(=O)[O-])CN(C(=O)C=NOC)CCO1 ZINC001604551078 973566289 /nfs/dbraw/zinc/56/62/89/973566289.db2.gz NTYIRCIICXGVQU-JTQLQIEISA-N -1 0 260.246 -1.053 20 30 CAEDRM COCCN(CC#N)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001604583881 973673842 /nfs/dbraw/zinc/67/38/42/973673842.db2.gz HWXIIRBXFOSJRY-UHFFFAOYSA-N -1 0 267.245 -1.025 20 30 CAEDRM N#CC[C@]1(O)CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001605582296 973865677 /nfs/dbraw/zinc/86/56/77/973865677.db2.gz ZHUZFQKFXLQTCU-NSHDSACASA-N -1 0 279.256 -1.147 20 30 CAEDRM N#CC[C@@]1(O)CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1 ZINC001605582293 973865831 /nfs/dbraw/zinc/86/58/31/973865831.db2.gz ZHUZFQKFXLQTCU-LLVKDONJSA-N -1 0 279.256 -1.147 20 30 CAEDRM N#CC1(NC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)CCC1 ZINC001605582648 973865845 /nfs/dbraw/zinc/86/58/45/973865845.db2.gz ASWNXXYNXZNRQU-UHFFFAOYSA-N -1 0 294.311 -1.222 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CCn2cccn2)c1=O ZINC001605623095 973948645 /nfs/dbraw/zinc/94/86/45/973948645.db2.gz UURYLFASIMLOCZ-UHFFFAOYSA-N -1 0 289.251 -1.137 20 30 CAEDRM CN(C)C[C@](C)(C#N)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001604057482 974588698 /nfs/dbraw/zinc/58/86/98/974588698.db2.gz DBJMQGBDRCWVAU-NSHDSACASA-N -1 0 280.288 -1.064 20 30 CAEDRM C[C@](CO)(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001592750702 979314242 /nfs/dbraw/zinc/31/42/42/979314242.db2.gz OAIKRRKPBJGFBX-IONNQARKSA-N -1 0 293.301 -2.119 20 30 CAEDRM C[C@](CO)(NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001592750703 979314412 /nfs/dbraw/zinc/31/44/12/979314412.db2.gz OAIKRRKPBJGFBX-VXNVDRBHSA-N -1 0 293.301 -2.119 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])nc1 ZINC001574250183 983204125 /nfs/dbraw/zinc/20/41/25/983204125.db2.gz UETYGOZMYGLCAR-SSDOTTSWSA-N -1 0 271.254 -1.323 20 30 CAEDRM C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001588370377 983318713 /nfs/dbraw/zinc/31/87/13/983318713.db2.gz BHWCJFIWEIAFIK-RXMQYKEDSA-N -1 0 259.243 -1.620 20 30 CAEDRM C#C[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@@H]1CCCO1 ZINC001588370783 983322175 /nfs/dbraw/zinc/32/21/75/983322175.db2.gz NIPBUNCWWKSBNY-CIUDSAMLSA-N -1 0 286.259 -1.178 20 30 CAEDRM C#C[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)[O-])[C@H]1CCCO1 ZINC001588370784 983322320 /nfs/dbraw/zinc/32/23/20/983322320.db2.gz NIPBUNCWWKSBNY-DJLDLDEBSA-N -1 0 286.259 -1.178 20 30 CAEDRM C#CC1(O)CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001588379644 983365180 /nfs/dbraw/zinc/36/51/80/983365180.db2.gz OBINHMKIOWFDNR-UHFFFAOYSA-N -1 0 276.248 -1.247 20 30 CAEDRM C#CC1(O)CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001588380014 983366477 /nfs/dbraw/zinc/36/64/77/983366477.db2.gz XXYJKZXDIYMRJT-UHFFFAOYSA-N -1 0 279.256 -1.634 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588383860 983385194 /nfs/dbraw/zinc/38/51/94/983385194.db2.gz NCEUWQUFYRWYSM-UWVGGRQHSA-N -1 0 280.280 -1.220 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588383861 983385333 /nfs/dbraw/zinc/38/53/33/983385333.db2.gz NCEUWQUFYRWYSM-VHSXEESVSA-N -1 0 280.280 -1.220 20 30 CAEDRM C#CCC(CC#C)C(=O)NCC(=O)NCC(=O)[O-] ZINC001588389901 983389465 /nfs/dbraw/zinc/38/94/65/983389465.db2.gz FEJASQKQRMFEFI-UHFFFAOYSA-N -1 0 250.254 -1.034 20 30 CAEDRM C#CC[C@H](CO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001588396404 983408259 /nfs/dbraw/zinc/40/82/59/983408259.db2.gz WECJLTOZJWEOPE-ZJUUUORDSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H](O)CC(=O)OCC)C(=O)[O-] ZINC001588398003 983409980 /nfs/dbraw/zinc/40/99/80/983409980.db2.gz APLURSVHHAOHLN-YUMQZZPRSA-N -1 0 257.242 -1.107 20 30 CAEDRM C#CC[C@@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)[O-] ZINC001588398114 983411242 /nfs/dbraw/zinc/41/12/42/983411242.db2.gz DBXJWJVFVUMXJH-SECBINFHSA-N -1 0 290.283 -1.010 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC001588398463 983413157 /nfs/dbraw/zinc/41/31/57/983413157.db2.gz JMYSFWKFNZFXMK-UJNFCWOMSA-N -1 0 282.296 -1.145 20 30 CAEDRM C#CC[C@H](NC(=O)COCc1nncn1C)C(=O)[O-] ZINC001588404490 983417853 /nfs/dbraw/zinc/41/78/53/983417853.db2.gz CGGKPTPABJLVIG-QMMMGPOBSA-N -1 0 266.257 -1.076 20 30 CAEDRM C#CC[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)[O-] ZINC001588404687 983418397 /nfs/dbraw/zinc/41/83/97/983418397.db2.gz GDPQGLAQEWLWSH-SSDOTTSWSA-N -1 0 267.241 -1.527 20 30 CAEDRM C#CC[C@H](NC(=O)CNS(=O)(=O)CC)C(=O)[O-] ZINC001588405243 983420542 /nfs/dbraw/zinc/42/05/42/983420542.db2.gz KYDPZGZQSXIBTP-ZETCQYMHSA-N -1 0 262.287 -1.482 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001588406457 983425491 /nfs/dbraw/zinc/42/54/91/983425491.db2.gz QQOVYXCUDNSZLK-ZJUUUORDSA-N -1 0 268.269 -1.174 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)[O-] ZINC001588406456 983425500 /nfs/dbraw/zinc/42/55/00/983425500.db2.gz QQOVYXCUDNSZLK-VHSXEESVSA-N -1 0 268.269 -1.174 20 30 CAEDRM C#CC[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588406665 983425880 /nfs/dbraw/zinc/42/58/80/983425880.db2.gz RZOZOMOMZCHLSX-RQJHMYQMSA-N -1 0 252.226 -1.368 20 30 CAEDRM C#CC[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588406656 983425906 /nfs/dbraw/zinc/42/59/06/983425906.db2.gz RZOZOMOMZCHLSX-NKWVEPMBSA-N -1 0 252.226 -1.368 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1nc(C)oc1=O)C(=O)[O-] ZINC001588406961 983426640 /nfs/dbraw/zinc/42/66/40/983426640.db2.gz BWPUNXPYXAELJQ-SSDOTTSWSA-N -1 0 253.214 -1.263 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)[O-] ZINC001588406988 983426879 /nfs/dbraw/zinc/42/68/79/983426879.db2.gz CQVMVRFRDLSXKO-HTQZYQBOSA-N -1 0 266.257 -1.076 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)[O-] ZINC001588406991 983426953 /nfs/dbraw/zinc/42/69/53/983426953.db2.gz CQVMVRFRDLSXKO-YUMQZZPRSA-N -1 0 266.257 -1.076 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)[O-] ZINC001588407666 983429136 /nfs/dbraw/zinc/42/91/36/983429136.db2.gz LVEMETOKDSLBDV-ZETCQYMHSA-N -1 0 280.240 -1.343 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)[O-] ZINC001588408010 983429848 /nfs/dbraw/zinc/42/98/48/983429848.db2.gz UWGVIODMRIQJPA-BDAKNGLRSA-N -1 0 270.285 -1.288 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C(=O)[O-] ZINC001588407991 983429861 /nfs/dbraw/zinc/42/98/61/983429861.db2.gz UGNSZHGWRCPOLT-ZCFIWIBFSA-N -1 0 265.229 -2.030 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1ncn(C)c1=O)C(=O)[O-] ZINC001588408149 983430630 /nfs/dbraw/zinc/43/06/30/983430630.db2.gz ZGAZQJVBECRGBF-SSDOTTSWSA-N -1 0 252.230 -1.826 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-] ZINC001588423564 983452986 /nfs/dbraw/zinc/45/29/86/983452986.db2.gz LABBOPCKLSLWHQ-SKLCBMLGSA-N -1 0 297.358 -1.128 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001588423624 983453525 /nfs/dbraw/zinc/45/35/25/983453525.db2.gz MRWISAKPHRDLMS-QMMMGPOBSA-N -1 0 290.297 -1.166 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC001588423850 983454159 /nfs/dbraw/zinc/45/41/59/983454159.db2.gz PUROPWRIBPPALU-YUMQZZPRSA-N -1 0 276.314 -1.141 20 30 CAEDRM C#CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001588458376 983483137 /nfs/dbraw/zinc/48/31/37/983483137.db2.gz OARKABJUXZZOFC-YUMQZZPRSA-N -1 0 276.314 -1.093 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001588461098 983489084 /nfs/dbraw/zinc/48/90/84/983489084.db2.gz GGSBJNJDETWFFY-BDAKNGLRSA-N -1 0 268.269 -1.628 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001588461254 983489329 /nfs/dbraw/zinc/48/93/29/983489329.db2.gz JCTXHSPXFKGCKX-ZDUSSCGKSA-N -1 0 293.279 -1.090 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001588461253 983489396 /nfs/dbraw/zinc/48/93/96/983489396.db2.gz JCTXHSPXFKGCKX-CYBMUJFWSA-N -1 0 293.279 -1.090 20 30 CAEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588461728 983490809 /nfs/dbraw/zinc/49/08/09/983490809.db2.gz ZFGLIAWOOYNNPE-DTWKUNHWSA-N -1 0 296.279 -1.590 20 30 CAEDRM C#CCN1CCN(C(=O)CN2C[C@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC001588476492 983511389 /nfs/dbraw/zinc/51/13/89/983511389.db2.gz CRTMKJKXDJJIKN-VXGBXAGGSA-N -1 0 295.339 -1.716 20 30 CAEDRM C#CCN1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2C(=O)[O-])CC1 ZINC001588476484 983511574 /nfs/dbraw/zinc/51/15/74/983511574.db2.gz CRTMKJKXDJJIKN-NWDGAFQWSA-N -1 0 295.339 -1.716 20 30 CAEDRM C#CCN1CCN(C(=O)CN[C@@](C)(COC)C(=O)[O-])CC1 ZINC001588477737 983517546 /nfs/dbraw/zinc/51/75/46/983517546.db2.gz ZHRUTOOQLHKCPR-AWEZNQCLSA-N -1 0 297.355 -1.157 20 30 CAEDRM C#CCNC(=O)CCN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001588479175 983517922 /nfs/dbraw/zinc/51/79/22/983517922.db2.gz BAHIHYUZIWZOEO-SECBINFHSA-N -1 0 267.285 -1.647 20 30 CAEDRM C#CCNC(=O)CN(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001588483759 983521947 /nfs/dbraw/zinc/52/19/47/983521947.db2.gz HDMGCEIWFKOVGM-VHSXEESVSA-N -1 0 281.312 -1.496 20 30 CAEDRM C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001588483760 983521954 /nfs/dbraw/zinc/52/19/54/983521954.db2.gz HDMGCEIWFKOVGM-ZJUUUORDSA-N -1 0 281.312 -1.496 20 30 CAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)CC(=O)[O-])CC1 ZINC001588485352 983524876 /nfs/dbraw/zinc/52/48/76/983524876.db2.gz MEWVODWHOOQLMG-UHFFFAOYSA-N -1 0 289.313 -1.927 20 30 CAEDRM C#CCNS(=O)(=O)N1CCN([C@@H](C=C)C(=O)[O-])CC1 ZINC001588485916 983526109 /nfs/dbraw/zinc/52/61/09/983526109.db2.gz ALGDPYDNONEDBD-JTQLQIEISA-N -1 0 287.341 -1.289 20 30 CAEDRM C#CCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588489658 983528677 /nfs/dbraw/zinc/52/86/77/983528677.db2.gz ANYWWQSMIRVFBT-DTWKUNHWSA-N -1 0 289.309 -1.265 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001588491185 983535610 /nfs/dbraw/zinc/53/56/10/983535610.db2.gz HMBGFXUXFAPFEN-ZJUUUORDSA-N -1 0 298.295 -1.547 20 30 CAEDRM C=C(C)C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)[O-] ZINC001588542362 983608028 /nfs/dbraw/zinc/60/80/28/983608028.db2.gz GPIBYIVSMYBXSQ-QMMMGPOBSA-N -1 0 293.345 -1.082 20 30 CAEDRM C=C(C)C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)[O-] ZINC001588542895 983610064 /nfs/dbraw/zinc/61/00/64/983610064.db2.gz SUPILVZCWCDVAH-IUCAKERBSA-N -1 0 285.300 -1.098 20 30 CAEDRM C=C(C)C[C@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC001588548196 983623042 /nfs/dbraw/zinc/62/30/42/983623042.db2.gz NCPLAXLZOHNWLG-ZETCQYMHSA-N -1 0 281.272 -1.087 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC001596300310 983728973 /nfs/dbraw/zinc/72/89/73/983728973.db2.gz UFCICQVFANFLHI-ZETCQYMHSA-N -1 0 265.291 -1.498 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001596300308 983729122 /nfs/dbraw/zinc/72/91/22/983729122.db2.gz UFCICQVFANFLHI-SSDOTTSWSA-N -1 0 265.291 -1.498 20 30 CAEDRM C=C(CN(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588636401 983754191 /nfs/dbraw/zinc/75/41/91/983754191.db2.gz FTARKNKDKBUOCO-SECBINFHSA-N -1 0 290.341 -1.186 20 30 CAEDRM C=C(CO)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001588636988 983757995 /nfs/dbraw/zinc/75/79/95/983757995.db2.gz BOTQXGBHOUBRLX-SFYZADRCSA-N -1 0 257.242 -1.133 20 30 CAEDRM C=C(CO)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001588637024 983758033 /nfs/dbraw/zinc/75/80/33/983758033.db2.gz COUCHYXMJLPLPB-YUMQZZPRSA-N -1 0 297.267 -1.859 20 30 CAEDRM C=C(CO)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001588637568 983760252 /nfs/dbraw/zinc/76/02/52/983760252.db2.gz QCUPMIMXCMTEJZ-MRVPVSSYSA-N -1 0 277.298 -1.365 20 30 CAEDRM C=C(CO)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001588637722 983761224 /nfs/dbraw/zinc/76/12/24/983761224.db2.gz UFZHOEOMGTXJKL-CYBMUJFWSA-N -1 0 284.312 -1.077 20 30 CAEDRM CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596334740 983778144 /nfs/dbraw/zinc/77/81/44/983778144.db2.gz CBVQMNAIMZHUOD-UWVGGRQHSA-N -1 0 296.327 -1.215 20 30 CAEDRM CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596334739 983778225 /nfs/dbraw/zinc/77/82/25/983778225.db2.gz CBVQMNAIMZHUOD-NXEZZACHSA-N -1 0 296.327 -1.215 20 30 CAEDRM C=C[C@H](C(=O)[O-])N1CCN(CCS(N)(=O)=O)CC1 ZINC001588670300 983820613 /nfs/dbraw/zinc/82/06/13/983820613.db2.gz ZQPILTJAIWVFEA-SECBINFHSA-N -1 0 277.346 -1.468 20 30 CAEDRM C=C[C@@](C)(O)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001588683400 983848679 /nfs/dbraw/zinc/84/86/79/983848679.db2.gz ZMXGAGCIJWOVPI-OIBJUYFYSA-N -1 0 254.246 -1.216 20 30 CAEDRM C=C[C@](C)(O)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001588683402 983848968 /nfs/dbraw/zinc/84/89/68/983848968.db2.gz ZMXGAGCIJWOVPI-XVKPBYJWSA-N -1 0 254.246 -1.216 20 30 CAEDRM C=C[C@@](C)(O)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001588683396 983849041 /nfs/dbraw/zinc/84/90/41/983849041.db2.gz ZMXGAGCIJWOVPI-GMSGAONNSA-N -1 0 254.246 -1.216 20 30 CAEDRM C=CC[C@@H](C(=O)[O-])N1CCN(CC(N)=O)C(=O)C1 ZINC001588730513 983999814 /nfs/dbraw/zinc/99/98/14/983999814.db2.gz SOOXYUKEEQOHGN-QMMMGPOBSA-N -1 0 255.274 -1.355 20 30 CAEDRM C=CCNC(=O)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001588840098 984352075 /nfs/dbraw/zinc/35/20/75/984352075.db2.gz ZCIJORJVORBWBF-VHSXEESVSA-N -1 0 281.312 -1.190 20 30 CAEDRM C=CCNC(=O)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001588840099 984352384 /nfs/dbraw/zinc/35/23/84/984352384.db2.gz ZCIJORJVORBWBF-ZJUUUORDSA-N -1 0 281.312 -1.190 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001588843660 984353851 /nfs/dbraw/zinc/35/38/51/984353851.db2.gz DOPIUXYMMFQPJC-SCZZXKLOSA-N -1 0 285.300 -1.092 20 30 CAEDRM C=CCNC(=O)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001588844545 984358926 /nfs/dbraw/zinc/35/89/26/984358926.db2.gz LZBUSMMZHIZYSJ-VIFPVBQESA-N -1 0 297.311 -1.272 20 30 CAEDRM C=CCNC(=O)COC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588844703 984359550 /nfs/dbraw/zinc/35/95/50/984359550.db2.gz PASQPWYABBCGJT-UHFFFAOYSA-N -1 0 268.229 -1.178 20 30 CAEDRM C=CCOC[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)[O-] ZINC001588853557 984384403 /nfs/dbraw/zinc/38/44/03/984384403.db2.gz AFZNQLCWUAHYSV-QMMMGPOBSA-N -1 0 299.283 -1.348 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)[O-] ZINC001588854186 984388848 /nfs/dbraw/zinc/38/88/48/984388848.db2.gz QJEZKVAJLVVATP-MRVPVSSYSA-N -1 0 294.329 -1.350 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@H]1OCCN(C)C1=O)C(=O)[O-] ZINC001588854445 984390703 /nfs/dbraw/zinc/39/07/03/984390703.db2.gz ZJGORZJJBFKACN-DTWKUNHWSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@H]1OCCN(C)C1=O)C(=O)[O-] ZINC001588854454 984390760 /nfs/dbraw/zinc/39/07/60/984390760.db2.gz ZJGORZJJBFKACN-RKDXNWHRSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=CCOC[C@@H](NC(=O)C1(NC(N)=O)CC1)C(=O)[O-] ZINC001588855523 984393048 /nfs/dbraw/zinc/39/30/48/984393048.db2.gz JOAXQZFSQJDEPH-SSDOTTSWSA-N -1 0 271.273 -1.041 20 30 CAEDRM C=CCOC[C@H](NC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001588856083 984397024 /nfs/dbraw/zinc/39/70/24/984397024.db2.gz BKNSVWFBGOSROB-ZETCQYMHSA-N -1 0 265.287 -1.197 20 30 CAEDRM C=CCOC[C@@H](NC(=O)Cn1nc(C)n(C)c1=O)C(=O)[O-] ZINC001588856904 984402061 /nfs/dbraw/zinc/40/20/61/984402061.db2.gz RXTCXOAEBGDSQZ-SECBINFHSA-N -1 0 298.299 -1.338 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)[O-] ZINC001588856942 984402347 /nfs/dbraw/zinc/40/23/47/984402347.db2.gz SRAQIKMXHNEWDP-BQBZGAKWSA-N -1 0 258.230 -1.133 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)[O-] ZINC001588856945 984402392 /nfs/dbraw/zinc/40/23/92/984402392.db2.gz SULVHUWQMSDTHK-MRVPVSSYSA-N -1 0 294.329 -1.350 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)NCCOCC(=O)[O-] ZINC001588879012 984456152 /nfs/dbraw/zinc/45/61/52/984456152.db2.gz QRBPVBCWWMMABU-UHFFFAOYSA-N -1 0 294.329 -1.012 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)COCC(=O)[O-] ZINC001588879193 984457311 /nfs/dbraw/zinc/45/73/11/984457311.db2.gz VNGHLCHNWFLCFT-UHFFFAOYSA-N -1 0 265.287 -1.195 20 30 CAEDRM C=CCn1cc(C(=O)N2CC(O)(C(=O)[O-])C2)nn1 ZINC001588910003 984546735 /nfs/dbraw/zinc/54/67/35/984546735.db2.gz GIPPMELCCCGDTF-UHFFFAOYSA-N -1 0 252.230 -1.264 20 30 CAEDRM CCOC(=O)C[C@@H](O)C(=O)N(CC#N)CC(=O)[O-] ZINC001596595909 984549162 /nfs/dbraw/zinc/54/91/62/984549162.db2.gz WQWZTWJOQQMFMH-SSDOTTSWSA-N -1 0 258.230 -1.263 20 30 CAEDRM C=C[C@H](CO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001588919636 984572787 /nfs/dbraw/zinc/57/27/87/984572787.db2.gz GDKSYSGZJDACLE-RKDXNWHRSA-N -1 0 270.285 -1.027 20 30 CAEDRM C=C[C@H](CO)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001588919635 984572880 /nfs/dbraw/zinc/57/28/80/984572880.db2.gz GDKSYSGZJDACLE-BDAKNGLRSA-N -1 0 270.285 -1.027 20 30 CAEDRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC#CC[NH+](C)C)C(=O)[O-] ZINC001599896171 984755267 /nfs/dbraw/zinc/75/52/67/984755267.db2.gz IINHUBOIONFKJN-UWVGGRQHSA-N -1 0 298.343 -1.172 20 30 CAEDRM CC(=O)N1CCN(C(=O)CN(CC#N)CCC(=O)[O-])CC1 ZINC001589079965 985240896 /nfs/dbraw/zinc/24/08/96/985240896.db2.gz MUUPKEZICKBAHE-UHFFFAOYSA-N -1 0 296.327 -1.023 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001589330902 986180340 /nfs/dbraw/zinc/18/03/40/986180340.db2.gz UJPYGXZYGHOTSS-IONNQARKSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001589330903 986180532 /nfs/dbraw/zinc/18/05/32/986180532.db2.gz UJPYGXZYGHOTSS-VXNVDRBHSA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001589330901 986180647 /nfs/dbraw/zinc/18/06/47/986180647.db2.gz UJPYGXZYGHOTSS-CBAPKCEASA-N -1 0 279.318 -1.252 20 30 CAEDRM C[C@H](C(=O)N(C)C)S(=O)(=O)N(CC#N)CC(=O)[O-] ZINC001589336637 986222875 /nfs/dbraw/zinc/22/28/75/986222875.db2.gz KBOWBFQKJDKJEC-SSDOTTSWSA-N -1 0 277.302 -1.297 20 30 CAEDRM C[C@@H](C(=O)N[C@H](CO)C(=O)[O-])n1cnc(C#N)n1 ZINC001589387930 986493894 /nfs/dbraw/zinc/49/38/94/986493894.db2.gz LCEMBDAWRSTDGD-NTSWFWBYSA-N -1 0 253.218 -1.728 20 30 CAEDRM C[C@H](C(=O)NCCOCC(=O)[O-])n1cnc(C#N)n1 ZINC001589409844 986607105 /nfs/dbraw/zinc/60/71/05/986607105.db2.gz KIDNSDTVEZHDPK-SSDOTTSWSA-N -1 0 267.245 -1.072 20 30 CAEDRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)n1cnc(C#N)n1 ZINC001589430539 986718305 /nfs/dbraw/zinc/71/83/05/986718305.db2.gz TWTDEBMCAUILMG-OKTBNZSVSA-N -1 0 279.256 -1.195 20 30 CAEDRM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001599831060 988674797 /nfs/dbraw/zinc/67/47/97/988674797.db2.gz YGXHBQABGZLLQF-JGVFFNPUSA-N -1 0 277.302 -1.140 20 30 CAEDRM C[C@@H](O)[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001599843598 988894726 /nfs/dbraw/zinc/89/47/26/988894726.db2.gz LOZQMDZVVBJDKG-XRGYYRRGSA-N -1 0 253.218 -1.900 20 30 CAEDRM C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H]1C(=O)[O-] ZINC001599856368 989094251 /nfs/dbraw/zinc/09/42/51/989094251.db2.gz BJAHDUZISPIURJ-HTQZYQBOSA-N -1 0 268.273 -1.012 20 30 CAEDRM C[C@@H]1CN(C(=O)NCC#CCO)C[C@@H](C(=O)[O-])O1 ZINC001599857078 989106280 /nfs/dbraw/zinc/10/62/80/989106280.db2.gz KGJYLZJJTALHOO-BDAKNGLRSA-N -1 0 256.258 -1.134 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598468546 991988515 /nfs/dbraw/zinc/98/85/15/991988515.db2.gz GSYZSGGJLAULCL-JGVFFNPUSA-N -1 0 277.302 -1.092 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598468991 991994698 /nfs/dbraw/zinc/99/46/98/991994698.db2.gz PBMQAUFDIWLEGW-RKDXNWHRSA-N -1 0 291.329 -1.156 20 30 CAEDRM CN(CCC#N)C[C@H](O)CN1CC(O)(C(=O)[O-])C1 ZINC001598469204 991997724 /nfs/dbraw/zinc/99/77/24/991997724.db2.gz VFMVFOUQRXUDNF-VIFPVBQESA-N -1 0 257.290 -1.676 20 30 CAEDRM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC(=O)NCC#N ZINC001598489042 992256309 /nfs/dbraw/zinc/25/63/09/992256309.db2.gz JVBHGRDXTMCKLE-DTWKUNHWSA-N -1 0 282.300 -1.605 20 30 CAEDRM CN1C[C@@H](C(=O)[O-])N(CC(=O)NC2(C#N)CCC2)CC1=O ZINC001598564146 993123129 /nfs/dbraw/zinc/12/31/29/993123129.db2.gz QPZRJQCOBLNOOK-VIFPVBQESA-N -1 0 294.311 -1.224 20 30 CAEDRM CN1C[C@H](C(=O)[O-])N(CC(=O)NC2(C#N)CCC2)CC1=O ZINC001598564145 993123184 /nfs/dbraw/zinc/12/31/84/993123184.db2.gz QPZRJQCOBLNOOK-SECBINFHSA-N -1 0 294.311 -1.224 20 30 CAEDRM CN1CCN(CC(=O)N(CC#N)CCC(=O)[O-])CC1=O ZINC001598614667 993856586 /nfs/dbraw/zinc/85/65/86/993856586.db2.gz BEAGEZVNLIJIGX-UHFFFAOYSA-N -1 0 282.300 -1.413 20 30 CAEDRM CNC(=O)CNC(=S)NN=Cc1cc(C(=O)[O-])no1 ZINC001598645191 994363002 /nfs/dbraw/zinc/36/30/02/994363002.db2.gz SMURZOMOJKWAPR-UHFFFAOYSA-N -1 0 285.285 -1.083 20 30 CAEDRM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCC#N ZINC001598766586 995837987 /nfs/dbraw/zinc/83/79/87/995837987.db2.gz GEIOCNLBINQYBY-RKDXNWHRSA-N -1 0 283.284 -1.036 20 30 CAEDRM COCC#CC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001599138648 998088415 /nfs/dbraw/zinc/08/84/15/998088415.db2.gz NRIODMKYCRXXFV-UHFFFAOYSA-N -1 0 256.258 -1.267 20 30 CAEDRM COCC#CC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001599138983 998093873 /nfs/dbraw/zinc/09/38/73/998093873.db2.gz QOQZXRZQWTYDTP-BDAKNGLRSA-N -1 0 269.253 -1.032 20 30 CAEDRM COC[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001599170395 998603135 /nfs/dbraw/zinc/60/31/35/998603135.db2.gz RNSHVCXCPICTET-ZCFIWIBFSA-N -1 0 253.218 -1.634 20 30 CAEDRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC001599070052 999325754 /nfs/dbraw/zinc/32/57/54/999325754.db2.gz JTZNUILBYVBZIL-NSHDSACASA-N -1 0 279.256 -1.148 20 30 CAEDRM C#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192503827 781946052 /nfs/dbraw/zinc/94/60/52/781946052.db2.gz OUNQCAKRHVLIGE-NXEZZACHSA-N -1 0 293.327 -1.025 20 30 CAEDRM O=C(C#CC1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192821195 781957117 /nfs/dbraw/zinc/95/71/17/781957117.db2.gz IGKBNURNGXORTL-NXEZZACHSA-N -1 0 291.311 -1.415 20 30 CAEDRM C[C@H]1[C@H](NS(=O)(=O)CC#N)C(=O)N1S(=O)(=O)[O-] ZINC001192994373 781961041 /nfs/dbraw/zinc/96/10/41/781961041.db2.gz UMXMNJLZXBAUES-WHFBIAKZSA-N -1 0 283.287 -2.169 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])o1 ZINC000287365355 372887705 /nfs/dbraw/zinc/88/77/05/372887705.db2.gz YPQVTEXQHSKBIH-LURJTMIESA-N -1 0 260.227 -1.125 20 30 CAEDRM N#Cc1nc(NC(=O)CN2CCOCC2=O)[n-]c1C#N ZINC000573194237 372950218 /nfs/dbraw/zinc/95/02/18/372950218.db2.gz XQNPREQDCGCRPR-UHFFFAOYSA-N -1 0 274.240 -1.050 20 30 CAEDRM Cc1ncc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1C#N ZINC000382092043 373031886 /nfs/dbraw/zinc/03/18/86/373031886.db2.gz DRHXQGLAFAPHPB-SECBINFHSA-N -1 0 285.281 -1.015 20 30 CAEDRM C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC000593941756 373095524 /nfs/dbraw/zinc/09/55/24/373095524.db2.gz AZIVCBQFRQIBAY-HTQZYQBOSA-N -1 0 277.302 -1.234 20 30 CAEDRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC000594544411 373101892 /nfs/dbraw/zinc/10/18/92/373101892.db2.gz KQYVBJYKXYYKTD-SFYZADRCSA-N -1 0 269.257 -1.426 20 30 CAEDRM Cc1nn(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c(=O)n1C ZINC000594419944 373102579 /nfs/dbraw/zinc/10/25/79/373102579.db2.gz GULYVRYTVZZDOF-UHFFFAOYSA-N -1 0 286.255 -1.005 20 30 CAEDRM C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC000594544410 373102843 /nfs/dbraw/zinc/10/28/43/373102843.db2.gz KQYVBJYKXYYKTD-JGVFFNPUSA-N -1 0 269.257 -1.426 20 30 CAEDRM CN(CCC(=O)[O-])c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000595965310 373123936 /nfs/dbraw/zinc/12/39/36/373123936.db2.gz CEYWPWXIHDNAJR-UHFFFAOYSA-N -1 0 266.257 -1.133 20 30 CAEDRM N#Cc1ncn(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1 ZINC000596001711 373126451 /nfs/dbraw/zinc/12/64/51/373126451.db2.gz VFERCEIQKWDZKR-PRHODGIISA-N -1 0 291.267 -1.291 20 30 CAEDRM Cn1cc(C#N)c(=O)n([C@H]2CCN(CC(=O)[O-])C2=O)c1=O ZINC000596014548 373129714 /nfs/dbraw/zinc/12/97/14/373129714.db2.gz VMRWZPKZCMRJHX-QMMMGPOBSA-N -1 0 292.251 -1.723 20 30 CAEDRM N#C[C@H]1CN(S(=O)(=O)[N-]CC(F)(F)CO)CCO1 ZINC000336956580 373251650 /nfs/dbraw/zinc/25/16/50/373251650.db2.gz ZSHXUUDPYSDROC-ZETCQYMHSA-N -1 0 285.272 -1.327 20 30 CAEDRM N#C[C@@H]1CN(S(=O)(=O)[N-]CC(F)(F)CO)CCO1 ZINC000336956579 373252033 /nfs/dbraw/zinc/25/20/33/373252033.db2.gz ZSHXUUDPYSDROC-SSDOTTSWSA-N -1 0 285.272 -1.327 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)NC(=O)NC2CC2)c1=O ZINC000572642081 373289880 /nfs/dbraw/zinc/28/98/80/373289880.db2.gz MKIYGUSEBYKSTF-UHFFFAOYSA-N -1 0 277.240 -1.604 20 30 CAEDRM C#CCO[N-]C(=O)CN1CCN(CC)C(=O)C1=O ZINC000291170476 373499791 /nfs/dbraw/zinc/49/97/91/373499791.db2.gz DOZAJSMDUVCMHY-UHFFFAOYSA-N -1 0 253.258 -1.642 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCOC[C@@H]1C(=O)[O-] ZINC000088380999 373597640 /nfs/dbraw/zinc/59/76/40/373597640.db2.gz SBNPTUGCGWMLPL-MRVPVSSYSA-N -1 0 271.273 -1.216 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)NCCc1nc(=O)o[n-]1 ZINC000352894603 373596122 /nfs/dbraw/zinc/59/61/22/373596122.db2.gz SGXIFORYKGVARD-UHFFFAOYSA-N -1 0 289.317 -1.025 20 30 CAEDRM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC#N)[C@@H](C)O ZINC001192994632 781961535 /nfs/dbraw/zinc/96/15/35/781961535.db2.gz ZCFFIBFBAFZQGC-RQJHMYQMSA-N -1 0 250.276 -1.258 20 30 CAEDRM N#CCS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001192995148 781961596 /nfs/dbraw/zinc/96/15/96/781961596.db2.gz UCMSRADNDNPCRL-FMDGEEDCSA-N -1 0 282.274 -3.771 20 30 CAEDRM COCCN(CC(=O)[O-])C(=O)Cn1cnc(C#N)n1 ZINC000610891063 373655418 /nfs/dbraw/zinc/65/54/18/373655418.db2.gz OLWPOHXFOMHQCS-UHFFFAOYSA-N -1 0 267.245 -1.291 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000584841882 373655695 /nfs/dbraw/zinc/65/56/95/373655695.db2.gz LCPZMHFNLCIFAV-BQBZGAKWSA-N -1 0 265.291 -1.500 20 30 CAEDRM COC(=O)C[C@H]([N-]S(=O)(=O)CC#N)C(=O)OC ZINC001192988888 781962061 /nfs/dbraw/zinc/96/20/61/781962061.db2.gz RSLKDMKLGYZPGH-LURJTMIESA-N -1 0 264.259 -1.466 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000619708953 373878245 /nfs/dbraw/zinc/87/82/45/373878245.db2.gz BQEQKEHWBHXJKW-VIFPVBQESA-N -1 0 277.302 -1.090 20 30 CAEDRM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H](C)C#N ZINC001193159971 781963369 /nfs/dbraw/zinc/96/33/69/781963369.db2.gz VGQBLUKFKYECAS-RQJHMYQMSA-N -1 0 250.276 -1.258 20 30 CAEDRM COC(=O)C[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)C(=O)OC ZINC001193160150 781963506 /nfs/dbraw/zinc/96/35/06/781963506.db2.gz ZRJQRNBQEFBHHU-BQBZGAKWSA-N -1 0 278.286 -1.077 20 30 CAEDRM C=CCCS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000275029574 373964548 /nfs/dbraw/zinc/96/45/48/373964548.db2.gz FMGOIZHCCWFVPQ-ZCFIWIBFSA-N -1 0 250.276 -1.190 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(=O)[O-] ZINC000630327188 373909112 /nfs/dbraw/zinc/90/91/12/373909112.db2.gz YGSHSJBMAUPOCL-SECBINFHSA-N -1 0 285.300 -1.226 20 30 CAEDRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)[C@@H](C)O ZINC001193159381 781964416 /nfs/dbraw/zinc/96/44/16/781964416.db2.gz DSDGFXFPNBATCJ-XVMARJQXSA-N -1 0 250.276 -1.260 20 30 CAEDRM COCCN(CCC#N)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000568001527 373964057 /nfs/dbraw/zinc/96/40/57/373964057.db2.gz ADTVFYJTQPBEBV-MRVPVSSYSA-N -1 0 295.317 -1.872 20 30 CAEDRM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)[C@@H](C)O ZINC001193159380 781964442 /nfs/dbraw/zinc/96/44/42/781964442.db2.gz DSDGFXFPNBATCJ-QYNIQEEDSA-N -1 0 250.276 -1.260 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)NC2(C#N)CCC2)c1=O ZINC000579836581 374005540 /nfs/dbraw/zinc/00/55/40/374005540.db2.gz OMDDJPCBCMNEFN-UHFFFAOYSA-N -1 0 273.252 -1.029 20 30 CAEDRM N#C[C@@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000568630850 373972536 /nfs/dbraw/zinc/97/25/36/373972536.db2.gz SMQJXCOLFMYVJL-MRVPVSSYSA-N -1 0 269.257 -1.282 20 30 CAEDRM C[C@@H](O)[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-] ZINC000577804933 373986285 /nfs/dbraw/zinc/98/62/85/373986285.db2.gz PQUSQHGJFYFUNQ-RQJHMYQMSA-N -1 0 265.291 -1.500 20 30 CAEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[O-])c1=O ZINC000621489916 374070984 /nfs/dbraw/zinc/07/09/84/374070984.db2.gz LJVOZENWCBFIOK-UHFFFAOYSA-N -1 0 267.241 -1.372 20 30 CAEDRM N#Cc1cc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)ccc1[O-] ZINC001193519187 781971438 /nfs/dbraw/zinc/97/14/38/781971438.db2.gz SQMGJPQVKPVEFS-SDDRHHMPSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1cccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c1[O-] ZINC001193659480 781974868 /nfs/dbraw/zinc/97/48/68/781974868.db2.gz NBMFTCYKBYPYBC-ZMLRMANQSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1cccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c1[O-] ZINC001193659475 781974918 /nfs/dbraw/zinc/97/49/18/781974918.db2.gz NBMFTCYKBYPYBC-USWWRNFRSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1cccc(C(=O)NC(CO)(CO)CO)c1[O-] ZINC001193658211 781976214 /nfs/dbraw/zinc/97/62/14/781976214.db2.gz YLARRVOWPBTUOB-UHFFFAOYSA-N -1 0 266.253 -1.291 20 30 CAEDRM COC(=O)[C@H](CF)[N-]S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000344992621 533268532 /nfs/dbraw/zinc/26/85/32/533268532.db2.gz JVUHHDRODBANSC-SFYZADRCSA-N -1 0 295.292 -1.444 20 30 CAEDRM COC(=O)[C@H](CF)[N-]S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000344992644 533268933 /nfs/dbraw/zinc/26/89/33/533268933.db2.gz JVUHHDRODBANSC-YUMQZZPRSA-N -1 0 295.292 -1.444 20 30 CAEDRM C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-] ZINC000262110160 533550749 /nfs/dbraw/zinc/55/07/49/533550749.db2.gz KHAZLGXAHLRQQV-RXMQYKEDSA-N -1 0 252.230 -1.159 20 30 CAEDRM O=C(N[C@@H](CO)CN1CCOCC1)c1cn[nH]n1 ZINC000330475336 409424263 /nfs/dbraw/zinc/42/42/63/409424263.db2.gz IWCBANBQAHLSSB-MRVPVSSYSA-N -1 0 255.278 -1.198 20 30 CAEDRM C=CCN1C(=O)C(=O)N([C@H]2CCN(CC(=O)[O-])C2=O)C1=O ZINC000663219854 409622681 /nfs/dbraw/zinc/62/26/81/409622681.db2.gz UCUQBKVYGBRANB-ZETCQYMHSA-N -1 0 295.251 -1.351 20 30 CAEDRM N#Cc1ccc(C(=O)NC(CO)(CO)CO)c([O-])c1 ZINC001195763752 782014025 /nfs/dbraw/zinc/01/40/25/782014025.db2.gz BTTXHZBZQJEFIY-UHFFFAOYSA-N -1 0 266.253 -1.291 20 30 CAEDRM CCOC(=O)CS(=O)(=O)[N-][C@@H](CS)C(=O)OC ZINC001195984167 782021101 /nfs/dbraw/zinc/02/11/01/782021101.db2.gz NQGNXXFHQPEREA-LURJTMIESA-N -1 0 285.343 -1.060 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000491141343 261344900 /nfs/dbraw/zinc/34/49/00/261344900.db2.gz ABZCFBNENFIETO-UHFFFAOYSA-N -1 0 291.311 -2.244 20 30 CAEDRM C=CCNC(=O)CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000340763588 263304805 /nfs/dbraw/zinc/30/48/05/263304805.db2.gz NACMZCLOIZMMME-UHFFFAOYSA-N -1 0 280.332 -1.070 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)N2CCOCC2)c1=O ZINC000563126219 327927484 /nfs/dbraw/zinc/92/74/84/327927484.db2.gz DJCLHXLDUYJYML-UHFFFAOYSA-N -1 0 264.241 -1.733 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CC(=O)[O-])C1=O ZINC000427710357 327421252 /nfs/dbraw/zinc/42/12/52/327421252.db2.gz DVVPBJNFGFILMO-ZETCQYMHSA-N -1 0 297.267 -1.057 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])o1 ZINC000570344496 327584455 /nfs/dbraw/zinc/58/44/55/327584455.db2.gz YPQVTEXQHSKBIH-ZCFIWIBFSA-N -1 0 260.227 -1.125 20 30 CAEDRM CN(CCC#N)S(=O)(=O)NCCC(=O)NCC(=O)[O-] ZINC000570506552 327595983 /nfs/dbraw/zinc/59/59/83/327595983.db2.gz ZKVAZYJGCMGOTB-UHFFFAOYSA-N -1 0 292.317 -1.743 20 30 CAEDRM C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396739802 329317295 /nfs/dbraw/zinc/31/72/95/329317295.db2.gz CCQPVPCLLAMHIZ-SECBINFHSA-N -1 0 269.301 -1.094 20 30 CAEDRM C#CCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000268160911 330065538 /nfs/dbraw/zinc/06/55/38/330065538.db2.gz SXUODEQVJWSLCE-UHFFFAOYSA-N -1 0 270.314 -1.162 20 30 CAEDRM C#CCNC(=O)CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000491126879 332154446 /nfs/dbraw/zinc/15/44/46/332154446.db2.gz TXRAGHDNCPCREZ-UHFFFAOYSA-N -1 0 278.316 -1.623 20 30 CAEDRM N#C[C@@H]1CN(S(=O)(=O)NCCCC(=O)[O-])CCO1 ZINC000575868674 335126248 /nfs/dbraw/zinc/12/62/48/335126248.db2.gz HLGJQGHPADCPJW-MRVPVSSYSA-N -1 0 277.302 -1.090 20 30 CAEDRM N#C[C@H]1CN(S(=O)(=O)NCCCC(=O)[O-])CCO1 ZINC000575868675 335126271 /nfs/dbraw/zinc/12/62/71/335126271.db2.gz HLGJQGHPADCPJW-QMMMGPOBSA-N -1 0 277.302 -1.090 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000547912160 334129458 /nfs/dbraw/zinc/12/94/58/334129458.db2.gz JEMSGCHXHDCNBM-HTQZYQBOSA-N -1 0 277.302 -1.404 20 30 CAEDRM COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC000565233181 334546772 /nfs/dbraw/zinc/54/67/72/334546772.db2.gz RLCVUNSKEPYWSA-MRVPVSSYSA-N -1 0 295.317 -1.872 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000568002551 334783331 /nfs/dbraw/zinc/78/33/31/334783331.db2.gz FODMYZJMIJCLDL-MRVPVSSYSA-N -1 0 279.318 -1.156 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000576640838 335229622 /nfs/dbraw/zinc/22/96/22/335229622.db2.gz YKHUIYWVRMLNQW-GJMOJQLCSA-N -1 0 279.318 -1.111 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CC(=O)N2CCNC(=O)C2)c1=O ZINC000581310000 336045777 /nfs/dbraw/zinc/04/57/77/336045777.db2.gz CVORTLQLCGQFBO-UHFFFAOYSA-N -1 0 277.240 -2.633 20 30 CAEDRM Cc1ncc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1C#N ZINC000382300914 336085745 /nfs/dbraw/zinc/08/57/45/336085745.db2.gz XISYIENBPRMPFV-VIFPVBQESA-N -1 0 285.281 -1.015 20 30 CAEDRM COC(=O)CCCS(=O)(=O)N[C@@H](C#N)C(N)=O ZINC001201920560 782109080 /nfs/dbraw/zinc/10/90/80/782109080.db2.gz CEANJDZHNIDFJJ-LURJTMIESA-N -1 0 263.275 -1.764 20 30 CAEDRM CN(CC(=O)N(CC#N)CC(=O)[O-])S(C)(=O)=O ZINC000737385954 582136674 /nfs/dbraw/zinc/13/66/74/582136674.db2.gz IAJMGHNMMUFTET-UHFFFAOYSA-N -1 0 263.275 -1.685 20 30 CAEDRM COC(=O)CN(C)C(=O)CCN(CC#N)CC(=O)[O-] ZINC000831164676 582200734 /nfs/dbraw/zinc/20/07/34/582200734.db2.gz RKEIMYHAVHHSMX-UHFFFAOYSA-N -1 0 271.273 -1.082 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1cnnn1C ZINC000849218811 582227604 /nfs/dbraw/zinc/22/76/04/582227604.db2.gz JOZFHMRXKRYFRE-UHFFFAOYSA-N -1 0 258.259 -1.476 20 30 CAEDRM C#CC[C@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000882340176 582271122 /nfs/dbraw/zinc/27/11/22/582271122.db2.gz PPGJWKIAVSYAFT-SSDOTTSWSA-N -1 0 254.333 -1.067 20 30 CAEDRM COC(=O)[C@@H](CF)[N-]S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000344992599 534255618 /nfs/dbraw/zinc/25/56/18/534255618.db2.gz JVUHHDRODBANSC-JGVFFNPUSA-N -1 0 295.292 -1.444 20 30 CAEDRM C=CCNC(=O)[C@@H](C)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350222459 526630026 /nfs/dbraw/zinc/63/00/26/526630026.db2.gz QBEFBHYWZQWDKC-RXMQYKEDSA-N -1 0 260.275 -1.025 20 30 CAEDRM C[C@@H](CNCC#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001275375608 782171317 /nfs/dbraw/zinc/17/13/17/782171317.db2.gz UKKHNMLMZFFKST-QMMMGPOBSA-N -1 0 289.299 -1.311 20 30 CAEDRM C[C@@H](CN(C)CC#N)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001275600747 782175344 /nfs/dbraw/zinc/17/53/44/782175344.db2.gz UCJFZJGXMLWGAW-LURJTMIESA-N -1 0 266.261 -1.144 20 30 CAEDRM C#CC1(O)CN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000890524855 582108943 /nfs/dbraw/zinc/10/89/43/582108943.db2.gz HPWCJLZTUFYMRD-UHFFFAOYSA-N -1 0 258.237 -1.157 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)CCOCCOC ZINC000849219397 582111487 /nfs/dbraw/zinc/11/14/87/582111487.db2.gz TUYMTSHVHXFDNQ-UHFFFAOYSA-N -1 0 279.314 -1.001 20 30 CAEDRM NC(=O)CNC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814844780 582113701 /nfs/dbraw/zinc/11/37/01/582113701.db2.gz PHTBYNGBYYHVSD-UHFFFAOYSA-N -1 0 269.286 -1.004 20 30 CAEDRM CS(=O)(=O)NCCC(=O)N(CC#N)CC(=O)[O-] ZINC000738165689 582118428 /nfs/dbraw/zinc/11/84/28/582118428.db2.gz YXOPNCXTQQZFLZ-UHFFFAOYSA-N -1 0 263.275 -1.638 20 30 CAEDRM C#CCCNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000735375272 582128822 /nfs/dbraw/zinc/12/88/22/582128822.db2.gz WSGHIJCAIAADQD-UHFFFAOYSA-N -1 0 275.272 -1.301 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000736080411 582129943 /nfs/dbraw/zinc/12/99/43/582129943.db2.gz VQVUYISGASXUTE-QWRGUYRKSA-N -1 0 293.323 -1.399 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000736080413 582130056 /nfs/dbraw/zinc/13/00/56/582130056.db2.gz VQVUYISGASXUTE-WDEREUQCSA-N -1 0 293.323 -1.399 20 30 CAEDRM C=CCOCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737532315 582137211 /nfs/dbraw/zinc/13/72/11/582137211.db2.gz FORFCAUTVDWVRA-UHFFFAOYSA-N -1 0 256.258 -1.056 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)[N-]OCCOC)C1=O ZINC000748768720 582142446 /nfs/dbraw/zinc/14/24/46/582142446.db2.gz ZUOKSEKZLVONRC-UHFFFAOYSA-N -1 0 285.256 -1.343 20 30 CAEDRM C#CCOCCC(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000756575853 582145243 /nfs/dbraw/zinc/14/52/43/582145243.db2.gz ZRXFIJXOLCKFBE-UHFFFAOYSA-N -1 0 278.330 -1.035 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)CN(C)S(C)(=O)=O ZINC000762068466 582148131 /nfs/dbraw/zinc/14/81/31/582148131.db2.gz OENRKRLQXQGJTP-UHFFFAOYSA-N -1 0 264.303 -1.023 20 30 CAEDRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000763218851 582148497 /nfs/dbraw/zinc/14/84/97/582148497.db2.gz NBQZMFYJUQNQBU-ZETCQYMHSA-N -1 0 264.303 -1.011 20 30 CAEDRM N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766918263 582150981 /nfs/dbraw/zinc/15/09/81/582150981.db2.gz WOOAGHLKPYXNEV-UHFFFAOYSA-N -1 0 297.292 -1.132 20 30 CAEDRM C=CCCOCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766929804 582151069 /nfs/dbraw/zinc/15/10/69/582151069.db2.gz RSPILAQWZPSDHQ-UHFFFAOYSA-N -1 0 250.276 -1.490 20 30 CAEDRM CN(CC(=O)[N-]S(=O)(=O)CCCC#N)S(C)(=O)=O ZINC000776119293 582155466 /nfs/dbraw/zinc/15/54/66/582155466.db2.gz JKIZGJOGBNGUHZ-UHFFFAOYSA-N -1 0 297.358 -1.372 20 30 CAEDRM CC[C@H](NN=Cc1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000793077190 582163665 /nfs/dbraw/zinc/16/36/65/582163665.db2.gz BKQDXVMEJALUKJ-QMMMGPOBSA-N -1 0 268.273 -1.129 20 30 CAEDRM C=CCOC[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OC ZINC000796458009 582166080 /nfs/dbraw/zinc/16/60/80/582166080.db2.gz GBQGSOWSHZJHBZ-MRVPVSSYSA-N -1 0 269.257 -1.277 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)NC ZINC000797186198 582166361 /nfs/dbraw/zinc/16/63/61/582166361.db2.gz KURLSGRIBVLKSU-UHFFFAOYSA-N -1 0 261.303 -1.225 20 30 CAEDRM Cc1nnc(NN=Cc2cn(C)c(=O)n(C)c2=O)[n-]c1=O ZINC000807182696 582169352 /nfs/dbraw/zinc/16/93/52/582169352.db2.gz IOPVALALBHNJLB-UHFFFAOYSA-N -1 0 291.271 -1.271 20 30 CAEDRM C#C[C@@H](NC(=O)C(=O)[N-]OCCOC)[C@H]1CCCO1 ZINC000809304906 582170696 /nfs/dbraw/zinc/17/06/96/582170696.db2.gz SIBOGIFEXWGQGE-NXEZZACHSA-N -1 0 270.285 -1.022 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C1=O ZINC000810776914 582171666 /nfs/dbraw/zinc/17/16/66/582171666.db2.gz NANDIDVGIUZYCD-QMMMGPOBSA-N -1 0 258.299 -1.066 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000810775267 582171682 /nfs/dbraw/zinc/17/16/82/582171682.db2.gz YOJSAPSAMCASDR-UHFFFAOYSA-N -1 0 287.257 -1.344 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000810775876 582171684 /nfs/dbraw/zinc/17/16/84/582171684.db2.gz YAYNMHUVXKMYAN-UHFFFAOYSA-N -1 0 272.286 -1.949 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)C1CN(C(C)=O)C1 ZINC000810770431 582171697 /nfs/dbraw/zinc/17/16/97/582171697.db2.gz MRTVTGWXVUIWAV-UHFFFAOYSA-N -1 0 258.299 -1.066 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000810776897 582171699 /nfs/dbraw/zinc/17/16/99/582171699.db2.gz MSAYUOZUJPZEIY-UHFFFAOYSA-N -1 0 276.314 -1.440 20 30 CAEDRM C#CCO[N-]C(=O)CN1C(=O)C(=O)N(CC=C)C1=O ZINC000812782934 582172060 /nfs/dbraw/zinc/17/20/60/582172060.db2.gz PQYLENFKJRXNDR-UHFFFAOYSA-N -1 0 265.225 -1.356 20 30 CAEDRM C#CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000812786537 582172161 /nfs/dbraw/zinc/17/21/61/582172161.db2.gz MUVXZTNAJMBFTD-QMMMGPOBSA-N -1 0 286.313 -1.232 20 30 CAEDRM O=C1[N-]C(=O)C(=NNCCCN2CCOCC2)C(=O)N1 ZINC000814230659 582172718 /nfs/dbraw/zinc/17/27/18/582172718.db2.gz WECQCURZSAWLPU-UHFFFAOYSA-N -1 0 283.288 -1.980 20 30 CAEDRM O=C1[N-]C(=O)C(=NNC(=S)NC2CC2)C(=O)N1 ZINC000814214322 582172730 /nfs/dbraw/zinc/17/27/30/582172730.db2.gz BKYNBDFLGGLKSQ-UHFFFAOYSA-N -1 0 255.259 -1.665 20 30 CAEDRM COc1ncnc(N)c1C=Nn1c(=O)[n-][nH]c1=O ZINC000814233597 582172775 /nfs/dbraw/zinc/17/27/75/582172775.db2.gz XZKFTDWLNFKJRO-UHFFFAOYSA-N -1 0 251.206 -1.048 20 30 CAEDRM O=C1[N-]C(=O)C(=NNS(=O)(=O)c2ccccc2)C(=O)N1 ZINC000814212853 582172780 /nfs/dbraw/zinc/17/27/80/582172780.db2.gz MGDABIGOVVTUMM-UHFFFAOYSA-N -1 0 296.264 -1.313 20 30 CAEDRM CCCNC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814215331 582172797 /nfs/dbraw/zinc/17/27/97/582172797.db2.gz ODSVISVVMMQXKN-UHFFFAOYSA-N -1 0 257.275 -1.418 20 30 CAEDRM COC[C@@H](C)NC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814215607 582172814 /nfs/dbraw/zinc/17/28/14/582172814.db2.gz QRPCOMMQBBXICG-SCSAIBSYSA-N -1 0 287.301 -1.793 20 30 CAEDRM O=C1[N-]C(=O)C(=NNCCc2ccccn2)C(=O)N1 ZINC000814229801 582172830 /nfs/dbraw/zinc/17/28/30/582172830.db2.gz DXMRKPXFFISRNM-UHFFFAOYSA-N -1 0 261.241 -1.064 20 30 CAEDRM C#CC[C@@H](CO)NC(=O)c1cnc([O-])n(C)c1=O ZINC000816672734 582174261 /nfs/dbraw/zinc/17/42/61/582174261.db2.gz JBAQKZUGXQMZOX-ZETCQYMHSA-N -1 0 251.242 -1.400 20 30 CAEDRM C#CC[C@H](CO)NC(=O)c1cnc([O-])n(C)c1=O ZINC000816672733 582174371 /nfs/dbraw/zinc/17/43/71/582174371.db2.gz JBAQKZUGXQMZOX-SSDOTTSWSA-N -1 0 251.242 -1.400 20 30 CAEDRM C#CCN1CCN(C(=O)CN2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000817668505 582175141 /nfs/dbraw/zinc/17/51/41/582175141.db2.gz CEKJQXGTMWWEOF-LBPRGKRZSA-N -1 0 295.339 -1.451 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000819110818 582177214 /nfs/dbraw/zinc/17/72/14/582177214.db2.gz ABRUSJNDCQTTTK-SSDOTTSWSA-N -1 0 265.229 -1.538 20 30 CAEDRM C=CCN(CC(=O)NCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000819713485 582177773 /nfs/dbraw/zinc/17/77/73/582177773.db2.gz OURSAARILAIXOK-SECBINFHSA-N -1 0 290.341 -1.138 20 30 CAEDRM C#CCNC(=O)CN(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000819701076 582177785 /nfs/dbraw/zinc/17/77/85/582177785.db2.gz ZOTAZRQXGQDAQM-VIFPVBQESA-N -1 0 269.301 -1.353 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000819823691 582177987 /nfs/dbraw/zinc/17/79/87/582177987.db2.gz VORJNDKXMBYMRF-KSBSHMNSSA-N -1 0 267.241 -1.088 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000819821502 582178029 /nfs/dbraw/zinc/17/80/29/582178029.db2.gz HOFMZRKXEXJCEZ-KRTXAFLBSA-N -1 0 294.267 -1.246 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000819821500 582178033 /nfs/dbraw/zinc/17/80/33/582178033.db2.gz HOFMZRKXEXJCEZ-JMCQJSRRSA-N -1 0 294.267 -1.246 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000819823686 582178068 /nfs/dbraw/zinc/17/80/68/582178068.db2.gz VORJNDKXMBYMRF-KBUNVGBDSA-N -1 0 267.241 -1.088 20 30 CAEDRM CC(=O)NCCN(CC(=O)NCC#N)[C@H](C)C(=O)[O-] ZINC000819770240 582178094 /nfs/dbraw/zinc/17/80/94/582178094.db2.gz LKWOEPXXSBDGON-MRVPVSSYSA-N -1 0 270.289 -1.463 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000819833205 582178222 /nfs/dbraw/zinc/17/82/22/582178222.db2.gz FJWZMAGEDZOZNT-GWCFXTLKSA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000819833209 582178243 /nfs/dbraw/zinc/17/82/43/582178243.db2.gz FJWZMAGEDZOZNT-MFKMUULPSA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@H](C#N)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000819857058 582178264 /nfs/dbraw/zinc/17/82/64/582178264.db2.gz OKOWNUUINOVLND-ZCFIWIBFSA-N -1 0 290.287 -1.164 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000819823909 582178272 /nfs/dbraw/zinc/17/82/72/582178272.db2.gz WZNDCSDOIABWFK-CPCISQLKSA-N -1 0 269.257 -1.296 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)N1CCOCC1 ZINC000819834964 582178273 /nfs/dbraw/zinc/17/82/73/582178273.db2.gz RIRKZTHCRMKRTR-GFCCVEGCSA-N -1 0 283.284 -1.034 20 30 CAEDRM C[C@@H](C#N)CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000819857056 582178280 /nfs/dbraw/zinc/17/82/80/582178280.db2.gz OKOWNUUINOVLND-LURJTMIESA-N -1 0 290.287 -1.164 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCN1C(=O)CNC1=O ZINC000819833421 582178283 /nfs/dbraw/zinc/17/82/83/582178283.db2.gz GVNMELGGQSFZMJ-NSHDSACASA-N -1 0 282.256 -1.341 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)CN1CCOCC1 ZINC000819833207 582178305 /nfs/dbraw/zinc/17/83/05/582178305.db2.gz FJWZMAGEDZOZNT-GXFFZTMASA-N -1 0 299.327 -1.200 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000819866436 582178401 /nfs/dbraw/zinc/17/84/01/582178401.db2.gz WYUZOGVLEPLNST-LBPRGKRZSA-N -1 0 297.267 -1.507 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC(N)=O ZINC000819866579 582178472 /nfs/dbraw/zinc/17/84/72/582178472.db2.gz YPPMOTFQLVTFFN-VIFPVBQESA-N -1 0 257.202 -1.271 20 30 CAEDRM C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)[O-] ZINC000820115855 582178947 /nfs/dbraw/zinc/17/89/47/582178947.db2.gz ZRMREZZOASWTFW-LURJTMIESA-N -1 0 265.229 -1.066 20 30 CAEDRM CNC(=O)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820637438 582180259 /nfs/dbraw/zinc/18/02/59/582180259.db2.gz MLLBTJZALXRYLB-SNVBAGLBSA-N -1 0 271.229 -1.010 20 30 CAEDRM CN1C(=O)CN(NC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O ZINC000820614630 582180313 /nfs/dbraw/zinc/18/03/13/582180313.db2.gz JCIPMWYBHBOSQO-JTQLQIEISA-N -1 0 268.229 -1.084 20 30 CAEDRM CNC(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC000820637768 582180444 /nfs/dbraw/zinc/18/04/44/582180444.db2.gz UYKBDGSWUNEYKK-ZDUSSCGKSA-N -1 0 296.327 -1.119 20 30 CAEDRM CNC(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC000820637765 582180503 /nfs/dbraw/zinc/18/05/03/582180503.db2.gz UYKBDGSWUNEYKK-CYBMUJFWSA-N -1 0 296.327 -1.119 20 30 CAEDRM COC(=O)[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820672854 582180695 /nfs/dbraw/zinc/18/06/95/582180695.db2.gz DNPCSGNSHUOOBF-QUBYGPBYSA-N -1 0 258.230 -1.359 20 30 CAEDRM Cn1c(C=NNCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000821269216 582181616 /nfs/dbraw/zinc/18/16/16/582181616.db2.gz QJMYHGSWDQOFGH-UHFFFAOYSA-N -1 0 294.271 -1.229 20 30 CAEDRM Cn1cc(C=NNCCC(=O)[O-])c(=O)n(C)c1=O ZINC000821287765 582181632 /nfs/dbraw/zinc/18/16/32/582181632.db2.gz SHZFAMKSYVQCNZ-UHFFFAOYSA-N -1 0 254.246 -1.518 20 30 CAEDRM N#CCn1cc(NC(=O)C(=O)NCCC(=O)[O-])cn1 ZINC000821324878 582181960 /nfs/dbraw/zinc/18/19/60/582181960.db2.gz VSJJRLKIQYOQRY-UHFFFAOYSA-N -1 0 265.229 -1.064 20 30 CAEDRM N#CCNC(=O)COC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000822810339 582184875 /nfs/dbraw/zinc/18/48/75/582184875.db2.gz FTIDNBYVXMLWGG-UHFFFAOYSA-N -1 0 275.228 -1.009 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000823456930 582185506 /nfs/dbraw/zinc/18/55/06/582185506.db2.gz SDYGWQGEYHYWJK-QMMMGPOBSA-N -1 0 270.241 -1.342 20 30 CAEDRM C#CCNC(=O)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O ZINC000823457259 582185514 /nfs/dbraw/zinc/18/55/14/582185514.db2.gz XBDOGNFRNQOMOZ-GFCCVEGCSA-N -1 0 294.267 -1.590 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823455449 582185527 /nfs/dbraw/zinc/18/55/27/582185527.db2.gz CNMBGIGDDVBQGI-MRVPVSSYSA-N -1 0 270.241 -1.342 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000823456929 582185540 /nfs/dbraw/zinc/18/55/40/582185540.db2.gz SDYGWQGEYHYWJK-MRVPVSSYSA-N -1 0 270.241 -1.342 20 30 CAEDRM C#CCNC(=O)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O ZINC000823457262 582185607 /nfs/dbraw/zinc/18/56/07/582185607.db2.gz XBDOGNFRNQOMOZ-LBPRGKRZSA-N -1 0 294.267 -1.590 20 30 CAEDRM C[C@H]1CC(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)=NO1 ZINC000824894568 582187592 /nfs/dbraw/zinc/18/75/92/582187592.db2.gz YVGTYTDXAJPAEB-YFKPBYRVSA-N -1 0 277.248 -1.303 20 30 CAEDRM C#CCN1CCN(C(=O)Cn2cnc(C(=O)[O-])n2)CC1 ZINC000825620289 582189213 /nfs/dbraw/zinc/18/92/13/582189213.db2.gz ZRPNXJPCGBSHAD-UHFFFAOYSA-N -1 0 277.284 -1.246 20 30 CAEDRM CC(=O)N1CCN(C(=O)CN(CC#N)CC(=O)[O-])CC1 ZINC000825840888 582189288 /nfs/dbraw/zinc/18/92/88/582189288.db2.gz MTWQJEMZZYPOOL-UHFFFAOYSA-N -1 0 282.300 -1.413 20 30 CAEDRM C[C@H](NC(=O)CN(CC#N)CC(=O)[O-])C(=O)N(C)C ZINC000827629714 582193278 /nfs/dbraw/zinc/19/32/78/582193278.db2.gz JRWWNBDTIIKTEJ-QMMMGPOBSA-N -1 0 270.289 -1.511 20 30 CAEDRM CC1(C)C(=O)NC(=O)N1CC(=O)N(CC#N)CC(=O)[O-] ZINC000828042313 582194188 /nfs/dbraw/zinc/19/41/88/582194188.db2.gz YNAIEOSFDCRCPN-UHFFFAOYSA-N -1 0 282.256 -1.246 20 30 CAEDRM CNS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000828573550 582195670 /nfs/dbraw/zinc/19/56/70/582195670.db2.gz SXZKXNUBVMRFSM-ZETCQYMHSA-N -1 0 290.301 -1.750 20 30 CAEDRM COC(=O)CN(CC#N)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828684598 582195913 /nfs/dbraw/zinc/19/59/13/582195913.db2.gz YHRQXQRJPMTABW-UHFFFAOYSA-N -1 0 285.256 -1.110 20 30 CAEDRM CCCNC(=O)CN(C)C(=O)CN(CC#N)CC(=O)[O-] ZINC000829508323 582196872 /nfs/dbraw/zinc/19/68/72/582196872.db2.gz RVBYFZHRPNOAIZ-UHFFFAOYSA-N -1 0 284.316 -1.119 20 30 CAEDRM CS(=O)(=O)NCCN1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000829688740 582197168 /nfs/dbraw/zinc/19/71/68/582197168.db2.gz VTEJRQMUKAKOML-QMMMGPOBSA-N -1 0 276.318 -1.277 20 30 CAEDRM CCn1cc(C#N)c(=O)n(C[C@H](O)CC(=O)[O-])c1=O ZINC000830419879 582199011 /nfs/dbraw/zinc/19/90/11/582199011.db2.gz CRAGVNKAKODVDZ-MRVPVSSYSA-N -1 0 267.241 -1.263 20 30 CAEDRM CN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC#N)CC1 ZINC000830735748 582199189 /nfs/dbraw/zinc/19/91/89/582199189.db2.gz ZHZNETQPZGPTCN-UHFFFAOYSA-N -1 0 290.345 -1.221 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)NC1CC1 ZINC000831076119 582200274 /nfs/dbraw/zinc/20/02/74/582200274.db2.gz GMTUHCYEICLCIB-QMMMGPOBSA-N -1 0 266.257 -1.021 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000831075912 582200276 /nfs/dbraw/zinc/20/02/76/582200276.db2.gz DPFSTAZVDTXLLI-YUMQZZPRSA-N -1 0 266.257 -1.163 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CCO1 ZINC000831076624 582200289 /nfs/dbraw/zinc/20/02/89/582200289.db2.gz PWFJGJNWNXKZTB-YIZRAAEISA-N -1 0 269.257 -1.149 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(=O)NC1CC1 ZINC000831076118 582200293 /nfs/dbraw/zinc/20/02/93/582200293.db2.gz GMTUHCYEICLCIB-MRVPVSSYSA-N -1 0 266.257 -1.021 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cccnc1=O ZINC000831087816 582200341 /nfs/dbraw/zinc/20/03/41/582200341.db2.gz QVHGVQJCCMGUTG-VIFPVBQESA-N -1 0 291.267 -1.042 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000831077255 582200353 /nfs/dbraw/zinc/20/03/53/582200353.db2.gz XWXMTIVQCYDUOU-YUMQZZPRSA-N -1 0 266.257 -1.021 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1CC(=O)NC1=O ZINC000831082012 582200367 /nfs/dbraw/zinc/20/03/67/582200367.db2.gz FWZJYFAAKFAZEC-ZETCQYMHSA-N -1 0 295.255 -1.747 20 30 CAEDRM N#CCNC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N ZINC000831102333 582200385 /nfs/dbraw/zinc/20/03/85/582200385.db2.gz HDXTUFSDKAJGHL-MRVPVSSYSA-N -1 0 251.246 -1.186 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831102195 582200406 /nfs/dbraw/zinc/20/04/06/582200406.db2.gz BUJOBGNVSDEAQH-ZETCQYMHSA-N -1 0 271.229 -1.452 20 30 CAEDRM N#CCCNC(=O)Cn1nnnc1CNC(=O)[O-] ZINC000831097274 582200469 /nfs/dbraw/zinc/20/04/69/582200469.db2.gz HONPNFLPUVCAMY-UHFFFAOYSA-N -1 0 253.222 -1.529 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1 ZINC000831161533 582200770 /nfs/dbraw/zinc/20/07/70/582200770.db2.gz CVTPBYRQNSGYFS-QMMMGPOBSA-N -1 0 289.255 -1.136 20 30 CAEDRM COC(=O)c1cn(CC(=O)N(CC#N)CC(=O)[O-])nn1 ZINC000831462179 582202049 /nfs/dbraw/zinc/20/20/49/582202049.db2.gz SIQNSFLFVXDONQ-UHFFFAOYSA-N -1 0 281.228 -1.499 20 30 CAEDRM COC[C@H](C)NC(=O)NC(=O)CN(CC#N)CC(=O)[O-] ZINC000831643740 582202813 /nfs/dbraw/zinc/20/28/13/582202813.db2.gz OKWYYXWGZXVUQA-QMMMGPOBSA-N -1 0 286.288 -1.243 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCOC[C@H]2C(=O)[O-])n1 ZINC000833078353 582205383 /nfs/dbraw/zinc/20/53/83/582205383.db2.gz HRCWEXISHCVIEX-ZETCQYMHSA-N -1 0 265.229 -1.538 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC[C@](F)(C(=O)[O-])C2)n(C)c1=O ZINC000833038569 582205412 /nfs/dbraw/zinc/20/54/12/582205412.db2.gz COTUZUXGCGSEMN-GFCCVEGCSA-N -1 0 296.258 -1.041 20 30 CAEDRM C#CCOCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000833364842 582205920 /nfs/dbraw/zinc/20/59/20/582205920.db2.gz YAEKLSGWNWOACV-VIFPVBQESA-N -1 0 268.269 -1.172 20 30 CAEDRM C#CCN1CCN(C(=O)CN[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000833365197 582205998 /nfs/dbraw/zinc/20/59/98/582205998.db2.gz ZOGOZXKHVSWRTA-CQSZACIVSA-N -1 0 295.339 -1.403 20 30 CAEDRM C=CCNC(=O)NC(=O)CN[C@@]1(C(=O)[O-])CCOC1 ZINC000833376373 582206135 /nfs/dbraw/zinc/20/61/35/582206135.db2.gz CBFQHWYEIHOLRP-NSHDSACASA-N -1 0 271.273 -1.169 20 30 CAEDRM CN(C)S(=O)(=O)CCC(=O)N(CC#N)CC(=O)[O-] ZINC000833689614 582206558 /nfs/dbraw/zinc/20/65/58/582206558.db2.gz KVLMOOBVBOCRPF-UHFFFAOYSA-N -1 0 277.302 -1.295 20 30 CAEDRM C#CCN(CC#C)C(=O)CNC(=O)CNC(=O)[O-] ZINC000833787702 582206696 /nfs/dbraw/zinc/20/66/96/582206696.db2.gz YISDICRKZRTQOO-UHFFFAOYSA-N -1 0 251.242 -1.535 20 30 CAEDRM C#CCN(CC#CC)C(=O)CNC(=O)CNC(=O)[O-] ZINC000833786949 582206757 /nfs/dbraw/zinc/20/67/57/582206757.db2.gz DZDHXEAPTUOJDR-UHFFFAOYSA-N -1 0 265.269 -1.145 20 30 CAEDRM COC[C@@H](C#N)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833882827 582207141 /nfs/dbraw/zinc/20/71/41/582207141.db2.gz QFXRQUKXTXBSSZ-MRVPVSSYSA-N -1 0 285.256 -1.110 20 30 CAEDRM COC[C@H](C#N)OC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833882831 582207205 /nfs/dbraw/zinc/20/72/05/582207205.db2.gz QFXRQUKXTXBSSZ-QMMMGPOBSA-N -1 0 285.256 -1.110 20 30 CAEDRM COC[C@](C)(C#N)NC(=O)CNC(=O)CNC(=O)[O-] ZINC000833883011 582207209 /nfs/dbraw/zinc/20/72/09/582207209.db2.gz SXMFIIFYSWFWOE-JTQLQIEISA-N -1 0 272.261 -1.585 20 30 CAEDRM N#C[C@@H]1CSCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833966526 582207818 /nfs/dbraw/zinc/20/78/18/582207818.db2.gz LQLWWMVMWUUGSN-SSDOTTSWSA-N -1 0 286.313 -1.162 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CCO1 ZINC000833965397 582207820 /nfs/dbraw/zinc/20/78/20/582207820.db2.gz AFJHWWHIGQBAAN-RQJHMYQMSA-N -1 0 270.245 -1.751 20 30 CAEDRM N#CCNC(=O)COC(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833966152 582207838 /nfs/dbraw/zinc/20/78/38/582207838.db2.gz ACVIJTXZRHDMPP-UHFFFAOYSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#CCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CC1 ZINC000833967047 582207842 /nfs/dbraw/zinc/20/78/42/582207842.db2.gz OHCAHUFTRIZGFL-MRVPVSSYSA-N -1 0 283.288 -1.834 20 30 CAEDRM N#CCn1cc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cn1 ZINC000833970607 582207865 /nfs/dbraw/zinc/20/78/65/582207865.db2.gz WIHASWGSWDWWQE-UHFFFAOYSA-N -1 0 292.255 -1.176 20 30 CAEDRM N#CCn1cc(NC(=O)CNC(=O)CNC(=O)[O-])cn1 ZINC000833970633 582207870 /nfs/dbraw/zinc/20/78/70/582207870.db2.gz WXCOFUVTCKOVNR-UHFFFAOYSA-N -1 0 280.244 -1.271 20 30 CAEDRM C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)N(C)CCOC ZINC000835218508 582211631 /nfs/dbraw/zinc/21/16/31/582211631.db2.gz JELJOSDHWHJETQ-SECBINFHSA-N -1 0 278.330 -1.036 20 30 CAEDRM CN(Cn1c(=O)[n-]cc(C#N)c1=O)S(C)(=O)=O ZINC000842618849 582212907 /nfs/dbraw/zinc/21/29/07/582212907.db2.gz YNWYRMYWWQUWSD-UHFFFAOYSA-N -1 0 258.259 -1.743 20 30 CAEDRM CCOC(=O)c1cc(C=NNC(=S)NCC(N)=O)[nH]n1 ZINC000842528622 582212910 /nfs/dbraw/zinc/21/29/10/582212910.db2.gz VWRHOGSMRVMZDD-UHFFFAOYSA-N -1 0 298.328 -1.130 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)CCO1 ZINC000842615554 582212967 /nfs/dbraw/zinc/21/29/67/582212967.db2.gz NMSOTXCCAPEGKU-MRVPVSSYSA-N -1 0 278.268 -1.344 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842781061 582213233 /nfs/dbraw/zinc/21/32/33/582213233.db2.gz WYDRLEAGZZLHSA-QMMMGPOBSA-N -1 0 294.354 -1.510 20 30 CAEDRM C#C[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867340565 582215713 /nfs/dbraw/zinc/21/57/13/582215713.db2.gz BCXVCAWSIJTMPP-NXSYQRQQSA-N -1 0 254.333 -1.067 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000844794283 582217285 /nfs/dbraw/zinc/21/72/85/582217285.db2.gz FWXBJMNHLXUKDH-YIZRAAEISA-N -1 0 291.329 -1.158 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)N1CCO[C@@H](C#N)C1 ZINC000845548113 582219287 /nfs/dbraw/zinc/21/92/87/582219287.db2.gz XQWFYDQGTBGGAN-QMMMGPOBSA-N -1 0 256.262 -1.012 20 30 CAEDRM CCO[N-]C(=O)CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000845715520 582219839 /nfs/dbraw/zinc/21/98/39/582219839.db2.gz NBNHFKAKGVQHIW-UHFFFAOYSA-N -1 0 281.272 -1.565 20 30 CAEDRM CCO[N-]C(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000846002680 582220819 /nfs/dbraw/zinc/22/08/19/582220819.db2.gz KOFRTHKVFFBEGC-QMMMGPOBSA-N -1 0 292.317 -1.887 20 30 CAEDRM CCO[N-]C(=O)CNS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000846002151 582220835 /nfs/dbraw/zinc/22/08/35/582220835.db2.gz DWHZGHCBVNPTTH-QMMMGPOBSA-N -1 0 278.334 -1.020 20 30 CAEDRM C=CCO[N-]C(=O)CN(C)S(=O)(=O)N(C)C ZINC000846249785 582221359 /nfs/dbraw/zinc/22/13/59/582221359.db2.gz TXLLGVBRZFHMHN-UHFFFAOYSA-N -1 0 251.308 -1.042 20 30 CAEDRM C#CCCCS(=O)(=O)N[C@]1(C(N)=O)CCOC1 ZINC000848503770 582226495 /nfs/dbraw/zinc/22/64/95/582226495.db2.gz PJBUWIDQAOYPAK-SNVBAGLBSA-N -1 0 260.315 -1.036 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000848608526 582226592 /nfs/dbraw/zinc/22/65/92/582226592.db2.gz AHGUIMKRBAPQAQ-DTWKUNHWSA-N -1 0 268.269 -1.316 20 30 CAEDRM C#CCO[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000855606869 582237717 /nfs/dbraw/zinc/23/77/17/582237717.db2.gz QFSAPMYTVQFPPV-UHFFFAOYSA-N -1 0 275.330 -1.755 20 30 CAEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000860649349 582243115 /nfs/dbraw/zinc/24/31/15/582243115.db2.gz JMEMFHPJEOQKQI-LURJTMIESA-N -1 0 273.270 -1.155 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860721291 582243214 /nfs/dbraw/zinc/24/32/14/582243214.db2.gz CAMPMRRHVHTAQD-UHFFFAOYSA-N -1 0 287.297 -1.650 20 30 CAEDRM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000226159443 601259427 /nfs/dbraw/zinc/25/94/27/601259427.db2.gz BBOCPKYFASTHDZ-QMMMGPOBSA-N -1 0 277.302 -1.138 20 30 CAEDRM C=CCNC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071246715 599982516 /nfs/dbraw/zinc/98/25/16/599982516.db2.gz PTULKZMXMPNNGC-QMMMGPOBSA-N -1 0 255.274 -1.436 20 30 CAEDRM C#CCNC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000071248226 600041763 /nfs/dbraw/zinc/04/17/63/600041763.db2.gz DCLXCOLBFHWXOB-MRVPVSSYSA-N -1 0 253.258 -1.989 20 30 CAEDRM N#CCCNC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000739076109 600147396 /nfs/dbraw/zinc/14/73/96/600147396.db2.gz SLJWYHNORWIOLI-UHFFFAOYSA-N -1 0 298.343 -1.265 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CCN1C(=O)CCC1=O ZINC000739076704 600404675 /nfs/dbraw/zinc/40/46/75/600404675.db2.gz CMFVUKPOSYFWNC-UHFFFAOYSA-N -1 0 267.241 -1.038 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CN1CCCS1(=O)=O ZINC000739077442 600404627 /nfs/dbraw/zinc/40/46/27/600404627.db2.gz OSZQZFVITXDSMM-UHFFFAOYSA-N -1 0 275.286 -1.541 20 30 CAEDRM CN(CCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-] ZINC000739701535 602292794 /nfs/dbraw/zinc/29/27/94/602292794.db2.gz SXRQBDNUPIPINT-UHFFFAOYSA-N -1 0 281.272 -1.023 20 30 CAEDRM N#CCN(CC#N)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000740304818 603021603 /nfs/dbraw/zinc/02/16/03/603021603.db2.gz BLWBKOLGNBLDMB-UHFFFAOYSA-N -1 0 279.256 -1.316 20 30 CAEDRM N#CC1(NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000740310662 603031260 /nfs/dbraw/zinc/03/12/60/603031260.db2.gz UZICPLHJJXJCDK-UHFFFAOYSA-N -1 0 266.257 -1.019 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740305553 603159921 /nfs/dbraw/zinc/15/99/21/603159921.db2.gz OLMKIFAOBIPWGM-NKWVEPMBSA-N -1 0 271.229 -1.717 20 30 CAEDRM C#CCN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000088769776 604463810 /nfs/dbraw/zinc/46/38/10/604463810.db2.gz PCJNTEGUXLILKC-UHFFFAOYSA-N -1 0 289.357 -1.112 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC[C@H](NC(=O)[O-])C2)n(C)c1=O ZINC000740282633 605906791 /nfs/dbraw/zinc/90/67/91/605906791.db2.gz QPAAZHCNPJBOOE-ZETCQYMHSA-N -1 0 293.283 -1.198 20 30 CAEDRM C#CCN1CC([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000970060628 613127871 /nfs/dbraw/zinc/12/78/71/613127871.db2.gz QPZGCGSQJHBQAG-ZETCQYMHSA-N -1 0 277.284 -1.034 20 30 CAEDRM C#CCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000949111412 613209123 /nfs/dbraw/zinc/20/91/23/613209123.db2.gz SPVIYQMQAJVCHG-UHFFFAOYSA-N -1 0 263.257 -1.326 20 30 CAEDRM CN(CC#N)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000980263462 616041246 /nfs/dbraw/zinc/04/12/46/616041246.db2.gz JTBMNHRZAGDTPW-QMMMGPOBSA-N -1 0 280.288 -1.254 20 30 CAEDRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CC#N)C1 ZINC000970058768 656006607 /nfs/dbraw/zinc/00/66/07/656006607.db2.gz IPZYTDKEUJNBNZ-ZCFIWIBFSA-N -1 0 278.272 -1.144 20 30 CAEDRM N#CCN[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001023025968 656041434 /nfs/dbraw/zinc/04/14/34/656041434.db2.gz WZPHTYQQJZOEDC-KNVOCYPGSA-N -1 0 266.261 -1.550 20 30 CAEDRM N#CCN1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000978410242 656092306 /nfs/dbraw/zinc/09/23/06/656092306.db2.gz HIIAMQLZRFSCMM-WHUPJOBBSA-N -1 0 290.283 -1.286 20 30 CAEDRM C#CC[N@H+]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001028663918 656118127 /nfs/dbraw/zinc/11/81/27/656118127.db2.gz ZACAJAMUQGNRMU-MRVPVSSYSA-N -1 0 277.284 -1.032 20 30 CAEDRM N#CCN1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001028662975 656118319 /nfs/dbraw/zinc/11/83/19/656118319.db2.gz DPNWPWDWFGNTNT-SSDOTTSWSA-N -1 0 278.272 -1.142 20 30 CAEDRM C#CC[N@H+]1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001028663919 656118495 /nfs/dbraw/zinc/11/84/95/656118495.db2.gz ZACAJAMUQGNRMU-QMMMGPOBSA-N -1 0 277.284 -1.032 20 30 CAEDRM C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987423120 656140071 /nfs/dbraw/zinc/14/00/71/656140071.db2.gz UVBXBBNNPWWBNO-YUMQZZPRSA-N -1 0 280.288 -1.208 20 30 CAEDRM C#CCCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030616834 656320371 /nfs/dbraw/zinc/32/03/71/656320371.db2.gz LOZMKJSTMDFCRK-UHFFFAOYSA-N -1 0 263.257 -1.280 20 30 CAEDRM N#CCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001030618608 656320434 /nfs/dbraw/zinc/32/04/34/656320434.db2.gz NYXYIRSLDHLEKH-UHFFFAOYSA-N -1 0 250.218 -1.780 20 30 CAEDRM N#CCN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001031064872 656348580 /nfs/dbraw/zinc/34/85/80/656348580.db2.gz JVRBBRPMDJXBDL-UHFFFAOYSA-N -1 0 272.268 -1.040 20 30 CAEDRM CC#CCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031314835 656364526 /nfs/dbraw/zinc/36/45/26/656364526.db2.gz KPWZPBXVGJEXBB-UHFFFAOYSA-N -1 0 265.273 -1.487 20 30 CAEDRM C=CCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031316472 656364574 /nfs/dbraw/zinc/36/45/74/656364574.db2.gz LYYGQUSVDYBCHL-UHFFFAOYSA-N -1 0 253.262 -1.324 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NCC#N ZINC000939625149 656397168 /nfs/dbraw/zinc/39/71/68/656397168.db2.gz BDVVMYIOOXSBBR-HTQZYQBOSA-N -1 0 280.288 -1.351 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NCC#N ZINC000939625159 656397317 /nfs/dbraw/zinc/39/73/17/656397317.db2.gz BDVVMYIOOXSBBR-YUMQZZPRSA-N -1 0 280.288 -1.351 20 30 CAEDRM C[C@@H](C#N)C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000997259268 656502881 /nfs/dbraw/zinc/50/28/81/656502881.db2.gz ARRBIFDECGUEGG-LURJTMIESA-N -1 0 294.271 -1.824 20 30 CAEDRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC(NCC#N)C1 ZINC000999062049 656566600 /nfs/dbraw/zinc/56/66/00/656566600.db2.gz VHVIXDOBYASLLM-UHFFFAOYSA-N -1 0 278.272 -1.001 20 30 CAEDRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CC(NCC#N)C1 ZINC000999749831 656582346 /nfs/dbraw/zinc/58/23/46/656582346.db2.gz LQFZFYLDVIIBKR-UHFFFAOYSA-N -1 0 280.288 -1.208 20 30 CAEDRM N#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032754848 656601906 /nfs/dbraw/zinc/60/19/06/656601906.db2.gz SJIMTCWLQXXXDE-YUMQZZPRSA-N -1 0 278.272 -1.502 20 30 CAEDRM C=CCN1CCO[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035436297 656765854 /nfs/dbraw/zinc/76/58/54/656765854.db2.gz PGHJDUWACQKQKN-QMMMGPOBSA-N -1 0 295.299 -1.101 20 30 CAEDRM CON=CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000863934041 656809360 /nfs/dbraw/zinc/80/93/60/656809360.db2.gz BWQAKYCHMOBRAC-UHFFFAOYSA-N -1 0 277.240 -1.164 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000092484278 656915414 /nfs/dbraw/zinc/91/54/14/656915414.db2.gz IRUYNNIXDCWHNF-UHFFFAOYSA-N -1 0 274.298 -1.143 20 30 CAEDRM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1[O-] ZINC000957974628 656938276 /nfs/dbraw/zinc/93/82/76/656938276.db2.gz HDBOFHYCQANVKE-BDAKNGLRSA-N -1 0 279.300 -1.030 20 30 CAEDRM N#CCN1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958223633 656950553 /nfs/dbraw/zinc/95/05/53/656950553.db2.gz PEOHKWYYMWPEFG-BQBZGAKWSA-N -1 0 294.271 -2.171 20 30 CAEDRM N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000958223641 656950958 /nfs/dbraw/zinc/95/09/58/656950958.db2.gz PEOHKWYYMWPEFG-NKWVEPMBSA-N -1 0 294.271 -2.171 20 30 CAEDRM CC#CC[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000650412676 657024474 /nfs/dbraw/zinc/02/44/74/657024474.db2.gz VMVYYYJTCDNHGS-ZETCQYMHSA-N -1 0 272.286 -1.040 20 30 CAEDRM N#CCN1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001009327730 657079440 /nfs/dbraw/zinc/07/94/40/657079440.db2.gz HLKCPDSLKFLVOS-MRVPVSSYSA-N -1 0 280.288 -1.207 20 30 CAEDRM N#CCN1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001009327731 657079606 /nfs/dbraw/zinc/07/96/06/657079606.db2.gz HLKCPDSLKFLVOS-QMMMGPOBSA-N -1 0 280.288 -1.207 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110403 657160289 /nfs/dbraw/zinc/16/02/89/657160289.db2.gz SJYLZBWXEJAYEW-ZCFIWIBFSA-N -1 0 264.245 -1.390 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016109249 657198501 /nfs/dbraw/zinc/19/85/01/657198501.db2.gz BMGQDRCGWXZKRM-ZETCQYMHSA-N -1 0 266.261 -1.597 20 30 CAEDRM N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001018217256 657225369 /nfs/dbraw/zinc/22/53/69/657225369.db2.gz ZUHUJGYIGIICET-DTORHVGOSA-N -1 0 292.299 -1.112 20 30 CAEDRM C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001018215315 657226050 /nfs/dbraw/zinc/22/60/50/657226050.db2.gz LCNDASVLAHZIPU-AOOOYVTPSA-N -1 0 291.311 -1.002 20 30 CAEDRM N#CCN[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001020353268 657294323 /nfs/dbraw/zinc/29/43/23/657294323.db2.gz XMOLPSRLRKXYMF-IZLXSQMJSA-N -1 0 264.245 -1.343 20 30 CAEDRM C#CCN1CC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001038466001 782248473 /nfs/dbraw/zinc/24/84/73/782248473.db2.gz PJUFDXNISNHRKC-SSDOTTSWSA-N -1 0 263.257 -1.280 20 30 CAEDRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CC#N)C1 ZINC001043232621 782361591 /nfs/dbraw/zinc/36/15/91/782361591.db2.gz NIORDHHNUXXUOO-UHFFFAOYSA-N -1 0 264.245 -1.437 20 30 CAEDRM C#CCN1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001043507660 782367043 /nfs/dbraw/zinc/36/70/43/782367043.db2.gz XZINOZYQRHWVKJ-UHFFFAOYSA-N -1 0 276.296 -1.125 20 30 CAEDRM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(CC#N)C1 ZINC001044230546 782392618 /nfs/dbraw/zinc/39/26/18/782392618.db2.gz BZZRSOPWEGLJBN-UHFFFAOYSA-N -1 0 266.261 -1.645 20 30 CAEDRM C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001047610657 782497383 /nfs/dbraw/zinc/49/73/83/782497383.db2.gz YSENZRGOKDKLCB-IUCAKERBSA-N -1 0 295.299 -2.174 20 30 CAEDRM O=C[C@H]([N-]S(=O)(=O)C(F)F)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001259960131 780644420 /nfs/dbraw/zinc/64/44/20/780644420.db2.gz JPCFJRFEKXQOCW-SLPGGIOYSA-N -1 0 293.244 -3.229 20 30 CAEDRM C#CCOC[C@H](O)CN[C@@H](CCC(=O)[O-])C(=O)OC ZINC001251885115 780578833 /nfs/dbraw/zinc/57/88/33/780578833.db2.gz OASAHRROGBRAEG-ZJUUUORDSA-N -1 0 273.285 -1.007 20 30 CAEDRM N#C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(N)=O ZINC001260403426 780650026 /nfs/dbraw/zinc/65/00/26/780650026.db2.gz GZUZRJBMMIUJKP-ZETCQYMHSA-N -1 0 299.264 -1.254 20 30 CAEDRM CC(=O)N[C@@H](CS)C(=O)NCS(=O)(=O)[O-] ZINC001144417300 781454688 /nfs/dbraw/zinc/45/46/88/781454688.db2.gz OSPWPUXUCQSGAC-YFKPBYRVSA-N -1 0 256.305 -1.618 20 30 CAEDRM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCC#N ZINC001054862965 782603160 /nfs/dbraw/zinc/60/31/60/782603160.db2.gz NVEMYHYVNVRFBJ-BQBZGAKWSA-N -1 0 278.272 -1.144 20 30 CAEDRM C#CCN1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051010536 782684640 /nfs/dbraw/zinc/68/46/40/782684640.db2.gz VXIBPAPMQRTVDD-QMMMGPOBSA-N -1 0 293.283 -1.653 20 30 CAEDRM N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001098287867 782817640 /nfs/dbraw/zinc/81/76/40/782817640.db2.gz YOKXSLYSMUNSCJ-HLTSFMKQSA-N -1 0 292.299 -1.066 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001266327576 775115880 /nfs/dbraw/zinc/11/58/80/775115880.db2.gz HOSZMPWMEPEXTJ-MRVPVSSYSA-N -1 0 292.299 -1.071 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001266327577 775116150 /nfs/dbraw/zinc/11/61/50/775116150.db2.gz HOSZMPWMEPEXTJ-QMMMGPOBSA-N -1 0 292.299 -1.071 20 30 CAEDRM COC(OC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001167527789 775200016 /nfs/dbraw/zinc/20/00/16/775200016.db2.gz SDBDOHUTRNZLOS-UHFFFAOYSA-N -1 0 282.256 -1.444 20 30 CAEDRM C=CCN1CCO[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001268030025 775351665 /nfs/dbraw/zinc/35/16/65/775351665.db2.gz LBINSGUZSGKVFE-VIFPVBQESA-N -1 0 297.315 -1.308 20 30 CAEDRM C=CCN1CCO[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001268030024 775352013 /nfs/dbraw/zinc/35/20/13/775352013.db2.gz LBINSGUZSGKVFE-SECBINFHSA-N -1 0 297.315 -1.308 20 30 CAEDRM C[C@H](CNCC#N)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001268073387 775373136 /nfs/dbraw/zinc/37/31/36/775373136.db2.gz VRDOKSCRGYPYBE-ZCFIWIBFSA-N -1 0 266.261 -1.144 20 30 CAEDRM C[C@H]1[C@H](Nc2ncncc2C#N)C(=O)N1S(=O)(=O)[O-] ZINC001167858826 775382106 /nfs/dbraw/zinc/38/21/06/775382106.db2.gz SDQFYYRQYPDGII-FSPLSTOPSA-N -1 0 283.269 -1.416 20 30 CAEDRM COC(=O)c1cc(S(=O)(=O)O[C@H]2CNOC2)[n-]n1 ZINC001211784332 775426038 /nfs/dbraw/zinc/42/60/38/775426038.db2.gz FKFFLBKLVXEYMA-YFKPBYRVSA-N -1 0 277.258 -1.195 20 30 CAEDRM C[C@H](CNCC#N)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001268671099 775465114 /nfs/dbraw/zinc/46/51/14/775465114.db2.gz RMZIWJNONWPBAC-ZCFIWIBFSA-N -1 0 254.250 -1.693 20 30 CAEDRM N#CCN1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001269261990 775500238 /nfs/dbraw/zinc/50/02/38/775500238.db2.gz XEPPLGHIVAQNBC-MRVPVSSYSA-N -1 0 292.299 -1.071 20 30 CAEDRM C#CCN1CC[C@]2(CCN(C(=O)Cc3nnn[n-]3)C2)C1=O ZINC001269575957 775512998 /nfs/dbraw/zinc/51/29/98/775512998.db2.gz CLBZHAZSHRWJCM-CYBMUJFWSA-N -1 0 288.311 -1.174 20 30 CAEDRM C#CCN1C(=O)COCC12CN(C(=O)Cc1nnn[n-]1)C2 ZINC001269576339 775513149 /nfs/dbraw/zinc/51/31/49/775513149.db2.gz JCSZJSDYZKTZBG-UHFFFAOYSA-N -1 0 290.283 -2.185 20 30 CAEDRM C=CCN1CC2(CN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576824 775513173 /nfs/dbraw/zinc/51/31/73/775513173.db2.gz XLBNLOCDHJVAHY-UHFFFAOYSA-N -1 0 292.299 -1.632 20 30 CAEDRM C#CCN1CC[C@]2(CCCN2C(=O)Cc2nnn[n-]2)C1=O ZINC001269576642 775513636 /nfs/dbraw/zinc/51/36/36/775513636.db2.gz RDNPPODXPPYYHB-CYBMUJFWSA-N -1 0 288.311 -1.031 20 30 CAEDRM CC[C@@H](C#CC(=O)OC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225831467 775520944 /nfs/dbraw/zinc/52/09/44/775520944.db2.gz VAYBNQOHUCGGOH-LURJTMIESA-N -1 0 266.205 -1.318 20 30 CAEDRM N#CCN1CCO[C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001270691287 775543191 /nfs/dbraw/zinc/54/31/91/775543191.db2.gz IQPYXETVDJWWSJ-QMMMGPOBSA-N -1 0 296.287 -1.970 20 30 CAEDRM N#CCN1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001075994876 775698284 /nfs/dbraw/zinc/69/82/84/775698284.db2.gz MYYDCYRIIRIJRJ-JGVFFNPUSA-N -1 0 290.283 -1.047 20 30 CAEDRM C=CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001083606756 775833786 /nfs/dbraw/zinc/83/37/86/775833786.db2.gz OFKHRYDSMYSURZ-RQJHMYQMSA-N -1 0 281.272 -1.756 20 30 CAEDRM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1CC#N ZINC001089007104 775886424 /nfs/dbraw/zinc/88/64/24/775886424.db2.gz PERXNNUYQIANII-SFYZADRCSA-N -1 0 280.288 -1.208 20 30 CAEDRM C#CCN1C(=O)COCC12CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001272283945 775888405 /nfs/dbraw/zinc/88/84/05/775888405.db2.gz YKIBIKOZYWQDRD-UHFFFAOYSA-N -1 0 290.279 -1.198 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNCC#N ZINC001106923452 776001709 /nfs/dbraw/zinc/00/17/09/776001709.db2.gz VBQAMMGJLMHKNR-RKDXNWHRSA-N -1 0 294.315 -1.103 20 30 CAEDRM C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499122 776076128 /nfs/dbraw/zinc/07/61/28/776076128.db2.gz RSKZOVNXFUFPIZ-YUMQZZPRSA-N -1 0 275.268 -1.185 20 30 CAEDRM N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001032499266 776076246 /nfs/dbraw/zinc/07/62/46/776076246.db2.gz WHQIXLGFEDNQJN-BQBZGAKWSA-N -1 0 276.256 -1.295 20 30 CAEDRM N#CCNCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001168641177 776101717 /nfs/dbraw/zinc/10/17/17/776101717.db2.gz FVBULKSQHWMXQW-UHFFFAOYSA-N -1 0 289.299 -1.309 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC001118437414 776315675 /nfs/dbraw/zinc/31/56/75/776315675.db2.gz GLCUHMNFMTZNBV-RNFRBKRXSA-N -1 0 265.291 -1.500 20 30 CAEDRM C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001080852542 776338500 /nfs/dbraw/zinc/33/85/00/776338500.db2.gz JCBDLRYRTNAAAM-HTQZYQBOSA-N -1 0 280.288 -1.351 20 30 CAEDRM CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082344357 776410496 /nfs/dbraw/zinc/41/04/96/776410496.db2.gz IPYVSORHDMXTPO-HTQZYQBOSA-N -1 0 296.287 -1.972 20 30 CAEDRM C=CCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001082344387 776410514 /nfs/dbraw/zinc/41/05/14/776410514.db2.gz KQKUVQBAUAXFRW-RKDXNWHRSA-N -1 0 297.315 -1.309 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001090389826 776426295 /nfs/dbraw/zinc/42/62/95/776426295.db2.gz ZSNJYHMJHXSRQV-VXNVDRBHSA-N -1 0 250.262 -1.507 20 30 CAEDRM N#CCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001083999499 776438980 /nfs/dbraw/zinc/43/89/80/776438980.db2.gz SVHKRVDMTBZZBU-RQJHMYQMSA-N -1 0 282.260 -2.626 20 30 CAEDRM C#CCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001083999579 776439631 /nfs/dbraw/zinc/43/96/31/776439631.db2.gz XOZPELHAQALLFU-SFYZADRCSA-N -1 0 281.272 -2.516 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001090399499 776456725 /nfs/dbraw/zinc/45/67/25/776456725.db2.gz OFOJEBMHPACLIV-SFYZADRCSA-N -1 0 293.283 -1.919 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001090399498 776457631 /nfs/dbraw/zinc/45/76/31/776457631.db2.gz OFOJEBMHPACLIV-JGVFFNPUSA-N -1 0 293.283 -1.919 20 30 CAEDRM C=CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001090400347 776467304 /nfs/dbraw/zinc/46/73/04/776467304.db2.gz UVPSXTILXXTTOI-SFYZADRCSA-N -1 0 295.299 -1.366 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001090400480 776467325 /nfs/dbraw/zinc/46/73/25/776467325.db2.gz VPPHMIITMPGDJB-RQJHMYQMSA-N -1 0 294.271 -2.029 20 30 CAEDRM C=CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001090400342 776467343 /nfs/dbraw/zinc/46/73/43/776467343.db2.gz UVPSXTILXXTTOI-HTQZYQBOSA-N -1 0 295.299 -1.366 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001090400479 776467500 /nfs/dbraw/zinc/46/75/00/776467500.db2.gz VPPHMIITMPGDJB-RNFRBKRXSA-N -1 0 294.271 -2.029 20 30 CAEDRM N#CCNCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001130556509 776659333 /nfs/dbraw/zinc/65/93/33/776659333.db2.gz KOMWRLWEDJXFLA-UHFFFAOYSA-N -1 0 268.277 -1.301 20 30 CAEDRM C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001289124777 778022832 /nfs/dbraw/zinc/02/28/32/778022832.db2.gz MGNBBICRTCQUIK-GHMZBOCLSA-N -1 0 291.311 -1.090 20 30 CAEDRM COCCONC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001297360043 778108685 /nfs/dbraw/zinc/10/86/85/778108685.db2.gz QBIGDRKXOWFISS-UHFFFAOYSA-N -1 0 282.256 -1.095 20 30 CAEDRM C#C[C@H](CO)NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001298581554 778122010 /nfs/dbraw/zinc/12/20/10/778122010.db2.gz IWFBFTUTYXMSHG-SECBINFHSA-N -1 0 272.268 -1.201 20 30 CAEDRM N#Cc1cn(CC(=O)NC/C=C\CO)c(=O)[n-]c1=O ZINC001300565790 778132723 /nfs/dbraw/zinc/13/27/23/778132723.db2.gz BBTJARLLXVZSSJ-UPHRSURJSA-N -1 0 264.241 -1.515 20 30 CAEDRM C#CCO[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001301213762 778133355 /nfs/dbraw/zinc/13/33/55/778133355.db2.gz SXVQOMFSCMORAG-SECBINFHSA-N -1 0 290.279 -1.025 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)C(=O)[N-]OCCOC ZINC001117586694 779537687 /nfs/dbraw/zinc/53/76/87/779537687.db2.gz LOPSJWJSMXZARC-UHFFFAOYSA-N -1 0 294.329 -1.602 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(CC#N)CC1 ZINC001118296139 779560515 /nfs/dbraw/zinc/56/05/15/779560515.db2.gz AWHMRFCOJYEUPY-UHFFFAOYSA-N -1 0 282.300 -1.020 20 30 CAEDRM CC#CC[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001118280279 779560923 /nfs/dbraw/zinc/56/09/23/779560923.db2.gz UAYJSTUUSGVBMT-VIFPVBQESA-N -1 0 289.295 -1.038 20 30 CAEDRM C=CC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC001118312535 779563409 /nfs/dbraw/zinc/56/34/09/779563409.db2.gz DDBREWKLMLEYIH-NKWVEPMBSA-N -1 0 262.287 -1.176 20 30 CAEDRM O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001118379022 779567364 /nfs/dbraw/zinc/56/73/64/779567364.db2.gz NZTUARYPYMFMOX-BQBZGAKWSA-N -1 0 277.302 -1.826 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001119338999 779612037 /nfs/dbraw/zinc/61/20/37/779612037.db2.gz ZGYGLFFDLSIZRD-AEJSXWLSSA-N -1 0 280.280 -1.174 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001119398707 779613034 /nfs/dbraw/zinc/61/30/34/779613034.db2.gz ZGYGLFFDLSIZRD-GUBZILKMSA-N -1 0 280.280 -1.174 20 30 CAEDRM C#CCN(CC#CC)C(=O)C(=O)NCC(=O)[N-]OC ZINC001119847660 779626876 /nfs/dbraw/zinc/62/68/76/779626876.db2.gz COVYGERTSRLWSP-UHFFFAOYSA-N -1 0 265.269 -1.735 20 30 CAEDRM C=CCN(CCOC)C(=O)C(=O)NCC(=O)[N-]OC ZINC001119849237 779627108 /nfs/dbraw/zinc/62/71/08/779627108.db2.gz UOGJEKOKGXTCKV-UHFFFAOYSA-N -1 0 273.289 -1.559 20 30 CAEDRM CS(=O)(=O)[N-]C(=O)CCNC(=O)C#CC1CC1 ZINC001138193487 779730081 /nfs/dbraw/zinc/73/00/81/779730081.db2.gz DOKHLZJGAYBFCK-UHFFFAOYSA-N -1 0 258.299 -1.018 20 30 CAEDRM NS(=O)(=O)c1ccc([O-])c(C(=O)NCC#CCO)c1 ZINC001139145478 779734021 /nfs/dbraw/zinc/73/40/21/779734021.db2.gz GAAUFEVHMLTGKY-UHFFFAOYSA-N -1 0 284.293 -1.235 20 30 CAEDRM C=CC[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001139489899 779734678 /nfs/dbraw/zinc/73/46/78/779734678.db2.gz LVFPHOUTEUXURX-SECBINFHSA-N -1 0 278.268 -1.126 20 30 CAEDRM N#Cc1ncn(CCNC(=O)c2c[n-]n3c2nccc3=O)n1 ZINC001140193288 779736352 /nfs/dbraw/zinc/73/63/52/779736352.db2.gz MAPKWZLTCAOLST-UHFFFAOYSA-N -1 0 298.266 -1.084 20 30 CAEDRM C#C[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001141496027 779742843 /nfs/dbraw/zinc/74/28/43/779742843.db2.gz LGCUYKVMEDCQCR-MRVPVSSYSA-N -1 0 262.225 -2.069 20 30 CAEDRM C[C@H]1[C@H](NC(=O)CCC#N)C(=O)N1S(=O)(=O)[O-] ZINC001143202877 779769945 /nfs/dbraw/zinc/76/99/45/779769945.db2.gz KENPUDXDKWURDT-FSPLSTOPSA-N -1 0 261.259 -1.192 20 30 CAEDRM Cn1nnc2c(C(=O)Nc3nnccc3C#N)ncn2c1=O ZINC001152747847 779829952 /nfs/dbraw/zinc/82/99/52/779829952.db2.gz YEHAHIGVCZWKOT-UHFFFAOYSA-N -1 0 297.238 -1.263 20 30 CAEDRM C#CCO[C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001154154454 779854291 /nfs/dbraw/zinc/85/42/91/779854291.db2.gz INICBRQSDOUSHJ-QMMMGPOBSA-N -1 0 276.314 -1.393 20 30 CAEDRM N#CCNCCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001161715347 780026045 /nfs/dbraw/zinc/02/60/45/780026045.db2.gz FNDLDFCBRLBYHH-UHFFFAOYSA-N -1 0 280.288 -1.165 20 30 CAEDRM CN(c1[n-]c(=O)n(C)c(=O)c1C#N)[C@H]1CCNC1=O ZINC001162844090 780053384 /nfs/dbraw/zinc/05/33/84/780053384.db2.gz OLJFQGMPOPHYQI-ZETCQYMHSA-N -1 0 263.257 -1.730 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H]3C[C@]3(CO)C2)c(C#N)c1=O ZINC001163075983 780054401 /nfs/dbraw/zinc/05/44/01/780054401.db2.gz GTRFTPITLRWMSZ-JVXZTZIISA-N -1 0 262.269 -1.236 20 30 CAEDRM COCCCN(CCO)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001163076199 780054665 /nfs/dbraw/zinc/05/46/65/780054665.db2.gz KRUZJHOPHPUJKG-UHFFFAOYSA-N -1 0 282.300 -1.220 20 30 CAEDRM COC[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001163158538 780055774 /nfs/dbraw/zinc/05/57/74/780055774.db2.gz AWJVBGHJOQRYOP-ZCFIWIBFSA-N -1 0 254.246 -1.636 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](O)C3(CC3)C2)c(C#N)c1=O ZINC001163120046 780056078 /nfs/dbraw/zinc/05/60/78/780056078.db2.gz MXTOUQFBIJKSPS-QMMMGPOBSA-N -1 0 262.269 -1.094 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H]2COCO2)c(C#N)c1=O ZINC001163459545 780059668 /nfs/dbraw/zinc/05/96/68/780059668.db2.gz GVGFBPZNBDEUSG-ZCFIWIBFSA-N -1 0 252.230 -1.270 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](O)[C@H](F)C2)c(C#N)c1=O ZINC001164332648 780073321 /nfs/dbraw/zinc/07/33/21/780073321.db2.gz JEDLDKXLAZVPTK-HTQZYQBOSA-N -1 0 268.248 -1.146 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](O)[C@@H](F)C2)c(C#N)c1=O ZINC001164332651 780074195 /nfs/dbraw/zinc/07/41/95/780074195.db2.gz JEDLDKXLAZVPTK-YUMQZZPRSA-N -1 0 268.248 -1.146 20 30 CAEDRM N#Cc1cn(CCC(=O)NC/C=C/CO)c(=O)[n-]c1=O ZINC001165981123 780088588 /nfs/dbraw/zinc/08/85/88/780088588.db2.gz SPJCYALPBACDFZ-OWOJBTEDSA-N -1 0 278.268 -1.125 20 30 CAEDRM C=CCNC(=O)CNC(=O)N=c1nn[n-]n1CC ZINC001205246314 780104432 /nfs/dbraw/zinc/10/44/32/780104432.db2.gz WPQVMXFPQQCZSN-UHFFFAOYSA-N -1 0 253.266 -1.461 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CCN(CC#N)CC1 ZINC001217918294 780164846 /nfs/dbraw/zinc/16/48/46/780164846.db2.gz FKXGDRVYUFDSMV-UHFFFAOYSA-N -1 0 264.293 -1.212 20 30 CAEDRM C=CCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219363736 780212228 /nfs/dbraw/zinc/21/22/28/780212228.db2.gz IERZLQZMHIDJPH-BDAKNGLRSA-N -1 0 297.315 -1.626 20 30 CAEDRM C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219378893 780213815 /nfs/dbraw/zinc/21/38/15/780213815.db2.gz IERGWRGVKQOIEG-RNJXMRFFSA-N -1 0 280.288 -1.669 20 30 CAEDRM C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219378892 780214644 /nfs/dbraw/zinc/21/46/44/780214644.db2.gz IERGWRGVKQOIEG-PRJMDXOYSA-N -1 0 280.288 -1.669 20 30 CAEDRM C#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219539518 780228396 /nfs/dbraw/zinc/22/83/96/780228396.db2.gz OUNQCAKRHVLIGE-ZJUUUORDSA-N -1 0 293.327 -1.025 20 30 CAEDRM CC(C)C#CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219583652 780234287 /nfs/dbraw/zinc/23/42/87/780234287.db2.gz MGEWKWKNNMQKHX-ZJUUUORDSA-N -1 0 293.327 -1.169 20 30 CAEDRM O=C(C#CC1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219591516 780235634 /nfs/dbraw/zinc/23/56/34/780235634.db2.gz IGKBNURNGXORTL-ZJUUUORDSA-N -1 0 291.311 -1.415 20 30 CAEDRM O=C([O-])C[C@@H](O)C(=O)OCC(=O)ON1C(=O)CCC1=O ZINC001224530201 780435206 /nfs/dbraw/zinc/43/52/06/780435206.db2.gz XOQUSZRIJHMIDE-RXMQYKEDSA-N -1 0 289.196 -2.028 20 30 CAEDRM CCC#C[C@@H](C)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234372065 780482843 /nfs/dbraw/zinc/48/28/43/780482843.db2.gz BAALBVYFSNIWLX-ZCFIWIBFSA-N -1 0 250.206 -1.111 20 30 CAEDRM CC[C@H]1OC(C)=C(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1=O ZINC001234379683 780484060 /nfs/dbraw/zinc/48/40/60/780484060.db2.gz YWXWYGVVUAQEBR-RXMQYKEDSA-N -1 0 294.215 -1.303 20 30 CAEDRM CC[C@@H](C#CC(=O)OC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234379689 780484229 /nfs/dbraw/zinc/48/42/29/780484229.db2.gz ZGFQSUKCHJPHFO-LURJTMIESA-N -1 0 294.215 -1.958 20 30 CAEDRM C#C[C@H](CCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234377714 780484237 /nfs/dbraw/zinc/48/42/37/780484237.db2.gz DPMJJZXKKKJZEK-ZCFIWIBFSA-N -1 0 250.206 -1.111 20 30 CAEDRM N#CCCN1CC(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234379105 780484294 /nfs/dbraw/zinc/48/42/94/780484294.db2.gz SAOMCTUUCJYVIE-UHFFFAOYSA-N -1 0 278.220 -2.315 20 30 CAEDRM O=C1C=C[C@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234377491 780484456 /nfs/dbraw/zinc/48/44/56/780484456.db2.gz CSOVDWOSIYGVTE-YFKPBYRVSA-N -1 0 250.162 -2.015 20 30 CAEDRM C#C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccncc1 ZINC001234377692 780484497 /nfs/dbraw/zinc/48/44/97/780484497.db2.gz DORPUNMMRJLLSZ-QMMMGPOBSA-N -1 0 285.211 -1.143 20 30 CAEDRM C#C[C@@H]1CCC[C@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234377809 780484510 /nfs/dbraw/zinc/48/45/10/780484510.db2.gz GHTBWYDDQUUATH-RNFRBKRXSA-N -1 0 262.217 -1.111 20 30 CAEDRM C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC001278077659 780504502 /nfs/dbraw/zinc/50/45/02/780504502.db2.gz MSGAJSGRNUYOMJ-IUCAKERBSA-N -1 0 297.315 -1.885 20 30 CAEDRM C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1cnn(C)c1 ZINC001259829751 780642514 /nfs/dbraw/zinc/64/25/14/780642514.db2.gz DPVFNDIAKQAAJM-XPUUQOCRSA-N -1 0 274.302 -1.066 20 30 CAEDRM CS(=O)(=O)CS(=O)(=O)[N-][C@@H](C#N)C(N)=O ZINC001260594672 780653104 /nfs/dbraw/zinc/65/31/04/780653104.db2.gz BLHMHRHQPWZROM-BYPYZUCNSA-N -1 0 255.277 -2.715 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001261506067 780667846 /nfs/dbraw/zinc/66/78/46/780667846.db2.gz GLCUHMNFMTZNBV-BQBZGAKWSA-N -1 0 265.291 -1.500 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC001261506068 780667290 /nfs/dbraw/zinc/66/72/90/780667290.db2.gz GLCUHMNFMTZNBV-RQJHMYQMSA-N -1 0 265.291 -1.500 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC001261525847 780669667 /nfs/dbraw/zinc/66/96/67/780669667.db2.gz QMBGPCREBQQCEW-ZETCQYMHSA-N -1 0 266.261 -1.105 20 30 CAEDRM N#Cc1cc(=O)n([C@@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001261647056 780676752 /nfs/dbraw/zinc/67/67/52/780676752.db2.gz GZWZXRINSYHQNN-MRVPVSSYSA-N -1 0 262.225 -1.027 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001090759319 781428391 /nfs/dbraw/zinc/42/83/91/781428391.db2.gz HXQVHGSFPXGBNV-IUCAKERBSA-N -1 0 295.299 -2.126 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001090759163 781428475 /nfs/dbraw/zinc/42/84/75/781428475.db2.gz DZNZUUQUBNBNJP-SFYZADRCSA-N -1 0 296.287 -2.236 20 30 CAEDRM C#CCN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](O)C1 ZINC001090759318 781429480 /nfs/dbraw/zinc/42/94/80/781429480.db2.gz HXQVHGSFPXGBNV-DTWKUNHWSA-N -1 0 295.299 -2.126 20 30 CAEDRM C[C@H]1[C@H](NC(=O)CCS)C(=O)N1S(=O)(=O)[O-] ZINC001143986128 781440817 /nfs/dbraw/zinc/44/08/17/781440817.db2.gz SZXZWTAJMOZBNN-NJGYIYPDSA-N -1 0 268.316 -1.175 20 30 CAEDRM CON(C)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001144119402 781442731 /nfs/dbraw/zinc/44/27/31/781442731.db2.gz DVQSMBSRFUMHKP-UHFFFAOYSA-N -1 0 295.299 -1.180 20 30 CAEDRM CC(=O)N[C@@H](CS)C(=O)NCC(=O)CCC(=O)[O-] ZINC001144426866 781456255 /nfs/dbraw/zinc/45/62/55/781456255.db2.gz KFZBRAQMKUAWIM-QMMMGPOBSA-N -1 0 276.314 -1.029 20 30 CAEDRM N#CCNC1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001091123843 781456397 /nfs/dbraw/zinc/45/63/97/781456397.db2.gz KEKFTPPYTJHZPV-UHFFFAOYSA-N -1 0 278.272 -1.096 20 30 CAEDRM N#CCNCCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001174706522 781584549 /nfs/dbraw/zinc/58/45/49/781584549.db2.gz RANMOWMVNSCGQY-UHFFFAOYSA-N -1 0 254.250 -1.691 20 30 CAEDRM N#Cc1nccnc1N1CCN(C(=O)Cc2nnn[n-]2)CC1 ZINC001176840804 781606011 /nfs/dbraw/zinc/60/60/11/781606011.db2.gz NRBYYRCQRGGFCZ-UHFFFAOYSA-N -1 0 299.298 -1.247 20 30 CAEDRM Cn1ccc(C(=O)N[C@@H](C#N)C(N)=O)c1CC(=O)[O-] ZINC001177369010 781616991 /nfs/dbraw/zinc/61/69/91/781616991.db2.gz HCWMYLWVBLHVBY-ZETCQYMHSA-N -1 0 264.241 -1.241 20 30 CAEDRM N=C(c1nonc1N)N(O)C(=O)CN1C(=O)CNC1=O ZINC001180381297 781661433 /nfs/dbraw/zinc/66/14/33/781661433.db2.gz GRTCCKLODLPWCU-UHFFFAOYSA-N -1 0 283.204 -2.253 20 30 CAEDRM C=C(CO)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001181000100 781683901 /nfs/dbraw/zinc/68/39/01/781683901.db2.gz KBXXIANYAMQRFL-UHFFFAOYSA-N -1 0 276.252 -1.248 20 30 CAEDRM NC(=O)[C@@H](CO)NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184246057 781765053 /nfs/dbraw/zinc/76/50/53/781765053.db2.gz JEFHOPAKARNRQI-SECBINFHSA-N -1 0 251.262 -1.001 20 30 CAEDRM N[C@@H]1NCN(C(=O)CCC(=O)C2=CC=C[CH]2)[C@H]2NCN[C@H]21 ZINC001184247174 781765278 /nfs/dbraw/zinc/76/52/78/781765278.db2.gz IILHKWANKVVEDM-BFHYXJOUSA-N -1 0 290.347 -1.445 20 30 CAEDRM N[C@@H]1NCN(C(=O)CCC(=O)C2=CC=C[CH]2)[C@@H]2NCN[C@H]21 ZINC001184247177 781765537 /nfs/dbraw/zinc/76/55/37/781765537.db2.gz IILHKWANKVVEDM-MJBXVCDLSA-N -1 0 290.347 -1.445 20 30 CAEDRM C[C@@H](C#N)N(C)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662175 781788116 /nfs/dbraw/zinc/78/81/16/781788116.db2.gz PBLRROOZDRBACX-LURJTMIESA-N -1 0 277.221 -1.094 20 30 CAEDRM C#C[C@@H](C)NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664663 781788641 /nfs/dbraw/zinc/78/86/41/781788641.db2.gz XTZCPLGAVCAQKN-ZCFIWIBFSA-N -1 0 262.206 -1.327 20 30 CAEDRM CN(CC#N)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657539 781789066 /nfs/dbraw/zinc/78/90/66/781789066.db2.gz YFPSPLXUZJZTOH-UHFFFAOYSA-N -1 0 263.194 -1.483 20 30 CAEDRM Cn1c(=O)[n-]c(N(CCO)C2CC2)c(C#N)c1=O ZINC001185801960 781789576 /nfs/dbraw/zinc/78/95/76/781789576.db2.gz PSARPGPIWHVWDL-UHFFFAOYSA-N -1 0 250.258 -1.094 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@](F)(CO)C2)c(C#N)c1=O ZINC001186221263 781804117 /nfs/dbraw/zinc/80/41/17/781804117.db2.gz PDFWWHYNJUWRMX-NSHDSACASA-N -1 0 268.248 -1.144 20 30 CAEDRM C[C@@H](O)CN(CCO)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001186610919 781808793 /nfs/dbraw/zinc/80/87/93/781808793.db2.gz DBONXWQCPNYRGN-SSDOTTSWSA-N -1 0 268.273 -1.875 20 30 CAEDRM CNC(=O)[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001186626173 781809320 /nfs/dbraw/zinc/80/93/20/781809320.db2.gz FJNOKYCUEQISIH-YFKPBYRVSA-N -1 0 251.246 -1.508 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(C)(C(N)=O)C2)c(C#N)c1=O ZINC001186834369 781813324 /nfs/dbraw/zinc/81/33/24/781813324.db2.gz ZGOKRVNAQAYMPR-UHFFFAOYSA-N -1 0 263.257 -1.743 20 30 CAEDRM C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1c[nH]cn1 ZINC001187788086 781830617 /nfs/dbraw/zinc/83/06/17/781830617.db2.gz WHDWYTQTLFYFGG-FSPLSTOPSA-N -1 0 260.275 -1.076 20 30 CAEDRM CCOC(=O)C(C#N)[N-]S(=O)(=O)CCC(=O)OC ZINC001188409227 781840067 /nfs/dbraw/zinc/84/00/67/781840067.db2.gz HRAHPBPCSYPUQT-SSDOTTSWSA-N -1 0 278.286 -1.076 20 30 CAEDRM CC(C)[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433824835 891055812 /nfs/dbraw/zinc/05/58/12/891055812.db2.gz DSJBRKMCPCNXSG-SECBINFHSA-N -1 0 280.284 -1.046 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O ZINC000092479608 883985046 /nfs/dbraw/zinc/98/50/46/883985046.db2.gz HDQHHFYQBWJLIS-UHFFFAOYSA-N -1 0 283.327 -1.619 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)Cn1ccc(=O)[nH]c1=O ZINC000092462146 883985295 /nfs/dbraw/zinc/98/52/95/883985295.db2.gz UWGLTSCRMKIANT-UHFFFAOYSA-N -1 0 267.241 -1.364 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)COCc1nncn1C ZINC001324265249 884658726 /nfs/dbraw/zinc/65/87/26/884658726.db2.gz CIZNAQSBDOTSHU-UHFFFAOYSA-N -1 0 274.302 -1.036 20 30 CAEDRM C=CCNC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738494733 883990351 /nfs/dbraw/zinc/99/03/51/883990351.db2.gz DKPABLIWEWVJAX-UHFFFAOYSA-N -1 0 299.283 -1.346 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2C[C@@H](O)[C@@H](O)C2)c(C#N)c1=O ZINC001307211136 884119815 /nfs/dbraw/zinc/11/98/15/884119815.db2.gz OHVNOLIAWVSCNC-HYTIDYPLSA-N -1 0 266.257 -1.759 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2COC(=O)C2)c(C#N)c1=O ZINC001307129575 884120270 /nfs/dbraw/zinc/12/02/70/884120270.db2.gz HPJNOUYLBLGGIZ-YFKPBYRVSA-N -1 0 250.214 -1.327 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H](O)C[C@H](O)C2)c(C#N)c1=O ZINC001306989241 884120433 /nfs/dbraw/zinc/12/04/33/884120433.db2.gz BJMMSWDLYHKYHC-KNVOCYPGSA-N -1 0 266.257 -2.123 20 30 CAEDRM CN1C(=O)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001307102337 884120800 /nfs/dbraw/zinc/12/08/00/884120800.db2.gz CEPJXMYZUAPQMR-UHFFFAOYSA-N -1 0 277.240 -2.250 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)NCC(=O)[N-]OC ZINC001309916920 884136002 /nfs/dbraw/zinc/13/60/02/884136002.db2.gz SPAWNHMUGAOSDE-UHFFFAOYSA-N -1 0 264.307 -1.266 20 30 CAEDRM C#CCN(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001317465459 884203504 /nfs/dbraw/zinc/20/35/04/884203504.db2.gz PWDZGNGSCTULJE-UHFFFAOYSA-N -1 0 288.311 -1.248 20 30 CAEDRM C#CCN1CC(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001318136318 884255535 /nfs/dbraw/zinc/25/55/35/884255535.db2.gz PBVWOQIHPUGWOI-UHFFFAOYSA-N -1 0 291.311 -1.103 20 30 CAEDRM CS(=O)(=O)CCNN=Cc1cn(CC(=O)[O-])nn1 ZINC001320850387 884451177 /nfs/dbraw/zinc/45/11/77/884451177.db2.gz HRSDAVGFHYVVKL-UHFFFAOYSA-N -1 0 275.290 -1.669 20 30 CAEDRM C=CCNC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001321622081 884506027 /nfs/dbraw/zinc/50/60/27/884506027.db2.gz XKRACOOLOXAJLH-UHFFFAOYSA-N -1 0 291.267 -1.083 20 30 CAEDRM Cn1ccnc(NN=Cc2cn(CC(=O)[O-])nn2)c1=O ZINC001322682645 884570643 /nfs/dbraw/zinc/57/06/43/884570643.db2.gz ZKNOBBVEPPEYMA-UHFFFAOYSA-N -1 0 277.244 -1.098 20 30 CAEDRM N#Cc1ncn(CC(=O)NCCCc2cc(=O)[nH][nH]2)n1 ZINC001323412905 884617513 /nfs/dbraw/zinc/61/75/13/884617513.db2.gz GTJFOIXTSGMHBV-UHFFFAOYSA-N -1 0 275.272 -1.078 20 30 CAEDRM N#CCCCS(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC001324176131 884654569 /nfs/dbraw/zinc/65/45/69/884654569.db2.gz XNBCRIAERFHGJR-UHFFFAOYSA-N -1 0 263.275 -1.590 20 30 CAEDRM N#CCNC[C@H]1CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001324263977 884658140 /nfs/dbraw/zinc/65/81/40/884658140.db2.gz QIIRRVATDCNCJE-MRVPVSSYSA-N -1 0 280.288 -1.207 20 30 CAEDRM Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(=O)n(C)c1=O ZINC001324882785 884693078 /nfs/dbraw/zinc/69/30/78/884693078.db2.gz KCSHEVGXQUNVJO-UHFFFAOYSA-N -1 0 266.217 -2.031 20 30 CAEDRM C#CCO[N-]C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001326021543 884760042 /nfs/dbraw/zinc/76/00/42/884760042.db2.gz KTHUQONKDRRUJV-VIFPVBQESA-N -1 0 260.315 -1.214 20 30 CAEDRM O=C1NC(=O)C(=N[N-]c2nc3ccccn3n2)C(=O)N1 ZINC001326191882 884772721 /nfs/dbraw/zinc/77/27/21/884772721.db2.gz BLHDBABTKVJJIM-UHFFFAOYSA-N -1 0 273.212 -1.137 20 30 CAEDRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC#CCO ZINC001326800270 884833867 /nfs/dbraw/zinc/83/38/67/884833867.db2.gz QBBCKVWIGAFGDD-UHFFFAOYSA-N -1 0 261.241 -1.817 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NCC(=O)[N-]OCC ZINC001327049794 884858060 /nfs/dbraw/zinc/85/80/60/884858060.db2.gz MHXZTBUDDKJIQQ-VIFPVBQESA-N -1 0 283.284 -1.969 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001327558831 884899551 /nfs/dbraw/zinc/89/95/51/884899551.db2.gz ZSADPGKZEIMIOU-DTWKUNHWSA-N -1 0 282.300 -1.021 20 30 CAEDRM COc1nccnc1N=Nc1c([O-])[nH]c(=O)[nH]c1=O ZINC001327776319 884925101 /nfs/dbraw/zinc/92/51/01/884925101.db2.gz BSXZECPJHDFMKV-UHFFFAOYSA-N -1 0 264.201 -1.381 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)C(=O)NCCCCC#N ZINC001328915287 885033439 /nfs/dbraw/zinc/03/34/39/885033439.db2.gz LHYJDFLSFUNVIX-UHFFFAOYSA-N -1 0 270.289 -1.020 20 30 CAEDRM C#CCN1CC(CCO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001329681410 885129730 /nfs/dbraw/zinc/12/97/30/885129730.db2.gz ZECQDLIHTYLLRE-UHFFFAOYSA-N -1 0 293.283 -1.917 20 30 CAEDRM N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001329963476 885158830 /nfs/dbraw/zinc/15/88/30/885158830.db2.gz CNTAHSSSNDZQPG-JGVFFNPUSA-N -1 0 289.313 -1.231 20 30 CAEDRM CN(C)S(=O)(=O)n1ccnc1C=NNCC(=O)[O-] ZINC001330328782 885188195 /nfs/dbraw/zinc/18/81/95/885188195.db2.gz QKPNXAZVSVZINV-UHFFFAOYSA-N -1 0 275.290 -1.454 20 30 CAEDRM C=C[C@H](O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001330796577 885230931 /nfs/dbraw/zinc/23/09/31/885230931.db2.gz BXBIYTSSJSEWIY-LURJTMIESA-N -1 0 250.276 -1.885 20 30 CAEDRM N#Cc1ncn(CC(=O)[N-]OCCN2CCCC2=O)n1 ZINC001330965685 885244219 /nfs/dbraw/zinc/24/42/19/885244219.db2.gz FHLPTDGHVAUQPU-UHFFFAOYSA-N -1 0 278.272 -1.180 20 30 CAEDRM COCC#CC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001331170615 885259688 /nfs/dbraw/zinc/25/96/88/885259688.db2.gz WWAMGTFPJSJFIP-UHFFFAOYSA-N -1 0 262.287 -1.782 20 30 CAEDRM C#CC[C@@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001331189747 885262141 /nfs/dbraw/zinc/26/21/41/885262141.db2.gz RSSRHYUNPLTYRS-QMMMGPOBSA-N -1 0 275.268 -1.428 20 30 CAEDRM C=C[C@@H](O)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001332178271 885386937 /nfs/dbraw/zinc/38/69/37/885386937.db2.gz IZPGYNKCCMNTJI-SNVBAGLBSA-N -1 0 272.301 -1.221 20 30 CAEDRM CC#CC[C@@H](CO)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001332494880 885415998 /nfs/dbraw/zinc/41/59/98/885415998.db2.gz XQHGNGOUYSQIME-LURJTMIESA-N -1 0 252.230 -1.213 20 30 CAEDRM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNCC#N)c1[O-] ZINC001332503399 885416018 /nfs/dbraw/zinc/41/60/18/885416018.db2.gz GZFHFIXKZFLEJF-QMMMGPOBSA-N -1 0 267.289 -1.030 20 30 CAEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC001332629092 885430862 /nfs/dbraw/zinc/43/08/62/885430862.db2.gz ZHXCCQYDCQABII-RNFRBKRXSA-N -1 0 279.318 -1.598 20 30 CAEDRM C=C(C)COCCNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001332809444 885440394 /nfs/dbraw/zinc/44/03/94/885440394.db2.gz IAGFICLQQKEOEJ-UHFFFAOYSA-N -1 0 287.316 -1.121 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC001333141309 885459415 /nfs/dbraw/zinc/45/94/15/885459415.db2.gz GMFLGFWKFBEQJK-RNFRBKRXSA-N -1 0 265.291 -1.642 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)C(=O)[O-] ZINC001333141303 885460139 /nfs/dbraw/zinc/46/01/39/885460139.db2.gz GMFLGFWKFBEQJK-NKWVEPMBSA-N -1 0 265.291 -1.642 20 30 CAEDRM CON=CC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001333265157 885466677 /nfs/dbraw/zinc/46/66/77/885466677.db2.gz DCAPFFVEHCTHCY-UHFFFAOYSA-N -1 0 254.250 -1.358 20 30 CAEDRM C#CCCN(CCOC)C(=O)C(=O)NCC(=O)[N-]OC ZINC001333774511 885507076 /nfs/dbraw/zinc/50/70/76/885507076.db2.gz ITYIYPZWBCLYPD-UHFFFAOYSA-N -1 0 285.300 -1.722 20 30 CAEDRM C=C[C@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001335002711 885575407 /nfs/dbraw/zinc/57/54/07/885575407.db2.gz KAVSXIJFOSJMFU-GWCFXTLKSA-N -1 0 284.312 -1.079 20 30 CAEDRM COCC#CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC001335075132 885580895 /nfs/dbraw/zinc/58/08/95/885580895.db2.gz DZQWGJODDRMUIN-QMMMGPOBSA-N -1 0 251.246 -1.251 20 30 CAEDRM C=CCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@@H](C)COC ZINC001335143522 885584802 /nfs/dbraw/zinc/58/48/02/885584802.db2.gz ILVXCZBEJAARIX-VIFPVBQESA-N -1 0 287.316 -1.170 20 30 CAEDRM C#CC1CCN(C(=O)C(=O)NCC(=O)[N-]OC)CC1 ZINC001335142376 885585625 /nfs/dbraw/zinc/58/56/25/885585625.db2.gz DYSTTYLYBQOVJS-UHFFFAOYSA-N -1 0 267.285 -1.348 20 30 CAEDRM COCC(COC)NN=C1C(=O)[N-]C(=O)NC1=O ZINC001335347622 885612789 /nfs/dbraw/zinc/61/27/89/885612789.db2.gz UFZLVPHMQBLZLD-UHFFFAOYSA-N -1 0 258.234 -2.041 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NCC(=O)[N-]OC ZINC001336301376 885655568 /nfs/dbraw/zinc/65/55/68/885655568.db2.gz OWYVEDRPKGFWHU-MRVPVSSYSA-N -1 0 269.257 -2.359 20 30 CAEDRM CC(C)S(=O)(=O)NN=C1C(=O)[N-]C(=O)NC1=O ZINC001343847282 885927654 /nfs/dbraw/zinc/92/76/54/885927654.db2.gz WPKWBHCPBMJPDV-UHFFFAOYSA-N -1 0 262.247 -1.964 20 30 CAEDRM O=C1[N-]C(=O)C(=NNCC2CCOCC2)C(=O)N1 ZINC001343846950 885927674 /nfs/dbraw/zinc/92/76/74/885927674.db2.gz KXFYWRFZXWMLMZ-UHFFFAOYSA-N -1 0 254.246 -1.275 20 30 CAEDRM C=C(C)CO[N-]C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC001346208176 885993523 /nfs/dbraw/zinc/99/35/23/885993523.db2.gz NQQUJWBKINYWSL-ZETCQYMHSA-N -1 0 279.318 -1.597 20 30 CAEDRM C#C[C@@H](NC(=O)C(=O)NCC(=O)[N-]OCC)[C@@H]1CCCO1 ZINC001346384173 885999011 /nfs/dbraw/zinc/99/90/11/885999011.db2.gz PTEIMSLCDDPEIS-ZJUUUORDSA-N -1 0 297.311 -1.533 20 30 CAEDRM C#C[C@@H](NC(=O)C(=O)NCC(=O)[N-]OCC)[C@H]1CCCO1 ZINC001346384170 886000012 /nfs/dbraw/zinc/00/00/12/886000012.db2.gz PTEIMSLCDDPEIS-NXEZZACHSA-N -1 0 297.311 -1.533 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001348269109 886069197 /nfs/dbraw/zinc/06/91/97/886069197.db2.gz APIYBJONASKGHV-NKWVEPMBSA-N -1 0 262.287 -1.349 20 30 CAEDRM O=C1[N-]C(=O)C(=NN[C@@H]2CCCS(=O)(=O)C2)C(=O)N1 ZINC001348411101 886081221 /nfs/dbraw/zinc/08/12/21/886081221.db2.gz ILVLOAYYWCVXRH-RXMQYKEDSA-N -1 0 288.285 -2.125 20 30 CAEDRM COCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001351715734 886229105 /nfs/dbraw/zinc/22/91/05/886229105.db2.gz FFKQZUZYDZVPRF-UHFFFAOYSA-N -1 0 264.241 -1.150 20 30 CAEDRM COC(=O)[C@H](C)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361710964 886477677 /nfs/dbraw/zinc/47/76/77/886477677.db2.gz ATYZEVWOGWSYAR-SSDOTTSWSA-N -1 0 294.267 -1.254 20 30 CAEDRM COC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361757947 886484496 /nfs/dbraw/zinc/48/44/96/886484496.db2.gz YXVCKLAXJBDXGM-LURJTMIESA-N -1 0 280.240 -1.502 20 30 CAEDRM COC(=O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001361882276 886496780 /nfs/dbraw/zinc/49/67/80/886496780.db2.gz AZPSKDHWWLZNJE-UHFFFAOYSA-N -1 0 280.240 -1.500 20 30 CAEDRM C[C@H]1CC(=O)NN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001361896934 886498655 /nfs/dbraw/zinc/49/86/55/886498655.db2.gz FWXNSUVWFUTCOW-ZETCQYMHSA-N -1 0 291.267 -1.137 20 30 CAEDRM Cn1cnnc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361906302 886503010 /nfs/dbraw/zinc/50/30/10/886503010.db2.gz UPMCUXNYVJFHJE-UHFFFAOYSA-N -1 0 289.255 -1.735 20 30 CAEDRM CCN(CC(=O)OC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361906837 886503508 /nfs/dbraw/zinc/50/35/08/886503508.db2.gz TWEHMUOUQZVPIO-UHFFFAOYSA-N -1 0 294.267 -1.158 20 30 CAEDRM CCOC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361940123 886505033 /nfs/dbraw/zinc/50/50/33/886505033.db2.gz HUPNKOMHGFTIBR-UHFFFAOYSA-N -1 0 280.240 -1.500 20 30 CAEDRM CCOC(=O)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001361924758 886506806 /nfs/dbraw/zinc/50/68/06/886506806.db2.gz HPLCSMXLQIYRFM-UHFFFAOYSA-N -1 0 294.267 -1.158 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H]2COCCO2)c(=O)[n-]c1=O ZINC001361954155 886508437 /nfs/dbraw/zinc/50/84/37/886508437.db2.gz ZUHNXSGZLVHGOK-VIFPVBQESA-N -1 0 294.267 -1.648 20 30 CAEDRM CNC(=O)CCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362029364 886518578 /nfs/dbraw/zinc/51/85/78/886518578.db2.gz JJYQDIKHTADZRP-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM CCCNC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362033674 886518743 /nfs/dbraw/zinc/51/87/43/886518743.db2.gz WJTJXQUAWXIJEG-UHFFFAOYSA-N -1 0 293.283 -1.537 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@H](O)C2CC2)c(=O)[n-]c1=O ZINC001362087998 886528896 /nfs/dbraw/zinc/52/88/96/886528896.db2.gz KKLQHQXDFPERPT-VIFPVBQESA-N -1 0 278.268 -1.292 20 30 CAEDRM CCOC(=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362081232 886528911 /nfs/dbraw/zinc/52/89/11/886528911.db2.gz GMJGTEGBLFJOLG-UHFFFAOYSA-N -1 0 294.267 -1.110 20 30 CAEDRM CCOC(=O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362122986 886539333 /nfs/dbraw/zinc/53/93/33/886539333.db2.gz JXMGNJGYTOWYJY-UHFFFAOYSA-N -1 0 294.267 -1.110 20 30 CAEDRM C[S@@](=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362129053 886540819 /nfs/dbraw/zinc/54/08/19/886540819.db2.gz VSNCHRQBNOPUFL-LJQANCHMSA-N -1 0 284.297 -1.685 20 30 CAEDRM N#Cc1cn(CC(=O)NCC2(CO)COC2)c(=O)[n-]c1=O ZINC001362201282 886558379 /nfs/dbraw/zinc/55/83/79/886558379.db2.gz VKMCMMXKVBIHOS-UHFFFAOYSA-N -1 0 294.267 -2.054 20 30 CAEDRM Cn1ccnc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362220591 886562260 /nfs/dbraw/zinc/56/22/60/886562260.db2.gz MZWBELCWTIPPHY-UHFFFAOYSA-N -1 0 288.267 -1.130 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCS(=O)CC2)c(=O)[n-]c1=O ZINC001362244330 886567403 /nfs/dbraw/zinc/56/74/03/886567403.db2.gz HZGNAYFGJFYRHT-UHFFFAOYSA-N -1 0 296.308 -1.589 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@@]2(O)CCOC2)c(=O)[n-]c1=O ZINC001362263925 886570071 /nfs/dbraw/zinc/57/00/71/886570071.db2.gz VTAQQWAANNKFCB-LBPRGKRZSA-N -1 0 294.267 -1.912 20 30 CAEDRM CC(C)(CO)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362256471 886571252 /nfs/dbraw/zinc/57/12/52/886571252.db2.gz ZBDVUHDQZSLUAM-UHFFFAOYSA-N -1 0 280.284 -1.045 20 30 CAEDRM C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(=O)N(C)C ZINC001362395442 886607507 /nfs/dbraw/zinc/60/75/07/886607507.db2.gz QAEYHUFHSSFOCN-SSDOTTSWSA-N -1 0 293.283 -1.587 20 30 CAEDRM C[C@H](C[S@](C)=O)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362464022 886619965 /nfs/dbraw/zinc/61/99/65/886619965.db2.gz RDTMQNFFMYVEEL-GLEHDBDLSA-N -1 0 298.324 -1.296 20 30 CAEDRM CNC(=O)C1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001362460422 886620215 /nfs/dbraw/zinc/62/02/15/886620215.db2.gz DZHBYVQHJQTPRN-UHFFFAOYSA-N -1 0 291.267 -1.975 20 30 CAEDRM C[C@@H](C[S@@](C)=O)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362464031 886620327 /nfs/dbraw/zinc/62/03/27/886620327.db2.gz RDTMQNFFMYVEEL-SVWIBVJCSA-N -1 0 298.324 -1.296 20 30 CAEDRM CNC(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001362488394 886625988 /nfs/dbraw/zinc/62/59/88/886625988.db2.gz PBEHCSJCGSZWSQ-ZETCQYMHSA-N -1 0 293.283 -1.539 20 30 CAEDRM N#CCC1(O)CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001362503321 886629648 /nfs/dbraw/zinc/62/96/48/886629648.db2.gz FEJCRQVNIZAPJN-UHFFFAOYSA-N -1 0 281.272 -1.044 20 30 CAEDRM CCN(C)C(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362530870 886638568 /nfs/dbraw/zinc/63/85/68/886638568.db2.gz BNSFDRZOXWZIGR-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@@H]2COC[C@H]2O)c(=O)[n-]c1=O ZINC001362566410 886646697 /nfs/dbraw/zinc/64/66/97/886646697.db2.gz XUQHAVKHVQHJDU-RKDXNWHRSA-N -1 0 294.267 -1.913 20 30 CAEDRM CCC1(O)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001362569362 886650500 /nfs/dbraw/zinc/65/05/00/886650500.db2.gz GCZJHRCKWNZYNN-UHFFFAOYSA-N -1 0 278.268 -1.196 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1O ZINC001362601681 886655301 /nfs/dbraw/zinc/65/53/01/886655301.db2.gz NTYZESZRNOKXDD-VXNVDRBHSA-N -1 0 278.268 -1.340 20 30 CAEDRM Cn1ncc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001362614562 886659802 /nfs/dbraw/zinc/65/98/02/886659802.db2.gz LXNSKAHNJGBHBU-UHFFFAOYSA-N -1 0 289.255 -1.735 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H](O)C3(CC3)C2)c(=O)[n-]c1=O ZINC001362687578 886676315 /nfs/dbraw/zinc/67/63/15/886676315.db2.gz OIDBRDPAEJLKEF-VIFPVBQESA-N -1 0 290.279 -1.196 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@@H](O)C3(CC3)C2)c(=O)[n-]c1=O ZINC001362687491 886676624 /nfs/dbraw/zinc/67/66/24/886676624.db2.gz OIDBRDPAEJLKEF-SECBINFHSA-N -1 0 290.279 -1.196 20 30 CAEDRM C[C@H]1[C@@H](O)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001362696711 886680233 /nfs/dbraw/zinc/68/02/33/886680233.db2.gz SROPWSMSHCJQFW-CBAPKCEASA-N -1 0 278.268 -1.198 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(=O)[n-]c1=O ZINC001362776891 886703028 /nfs/dbraw/zinc/70/30/28/886703028.db2.gz GYSFUMYPWVUOSS-JZYVYDRUSA-N -1 0 290.279 -1.028 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2CNC(=O)C2)c(=O)[n-]c1=O ZINC001362807621 886711733 /nfs/dbraw/zinc/71/17/33/886711733.db2.gz IKDKLPFAJPHZLZ-ZETCQYMHSA-N -1 0 277.240 -2.175 20 30 CAEDRM N#Cc1cn(CC(=O)NCC(F)(F)CO)c(=O)[n-]c1=O ZINC001362852689 886728583 /nfs/dbraw/zinc/72/85/83/886728583.db2.gz LLELROLAJCYTSS-UHFFFAOYSA-N -1 0 288.210 -1.436 20 30 CAEDRM N#Cc1cn(CC(=O)NC[C@@H]2CNC(=O)C2)c(=O)[n-]c1=O ZINC001362868441 886735553 /nfs/dbraw/zinc/73/55/53/886735553.db2.gz VPLMNVMNDRNOIH-ZETCQYMHSA-N -1 0 291.267 -1.927 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@]23C[C@H]2COC3)c(=O)[n-]c1=O ZINC001362924719 886745136 /nfs/dbraw/zinc/74/51/36/886745136.db2.gz HYBJOCAEIXCBTF-UFBFGSQYSA-N -1 0 276.252 -1.274 20 30 CAEDRM C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(=O)N1 ZINC001362985370 886758600 /nfs/dbraw/zinc/75/86/00/886758600.db2.gz RTTRCZPRLUCQEK-ZETCQYMHSA-N -1 0 291.267 -1.833 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2CCOC2)c(=O)[n-]c1=O ZINC001363000917 886763882 /nfs/dbraw/zinc/76/38/82/886763882.db2.gz LDPSLUDNDPUUCB-QMMMGPOBSA-N -1 0 278.268 -1.027 20 30 CAEDRM CC(=O)N(C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001363006294 886767920 /nfs/dbraw/zinc/76/79/20/886767920.db2.gz ZBDLDIQQBDOQSE-UHFFFAOYSA-N -1 0 293.283 -1.585 20 30 CAEDRM N#Cc1cn(CC(=O)NN2CCOCC2)c(=O)[n-]c1=O ZINC001363116289 886796024 /nfs/dbraw/zinc/79/60/24/886796024.db2.gz XWDFTEQHXIFLLX-UHFFFAOYSA-N -1 0 279.256 -1.816 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@@H](O)C2CC2)c(=O)[n-]c1=O ZINC001363130593 886799744 /nfs/dbraw/zinc/79/97/44/886799744.db2.gz ZBFQLONUTRGPOI-VIFPVBQESA-N -1 0 278.268 -1.292 20 30 CAEDRM C[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(=O)O1 ZINC001363139419 886800272 /nfs/dbraw/zinc/80/02/72/886800272.db2.gz HNTABJBOGFSJNO-HTRCEHHLSA-N -1 0 292.251 -1.359 20 30 CAEDRM C[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(=O)O1 ZINC001363139458 886802467 /nfs/dbraw/zinc/80/24/67/886802467.db2.gz HNTABJBOGFSJNO-SVRRBLITSA-N -1 0 292.251 -1.359 20 30 CAEDRM CNC(=O)[C@@]1(C)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363159346 886808978 /nfs/dbraw/zinc/80/89/78/886808978.db2.gz PVDJPAWLQAPMMO-ZDUSSCGKSA-N -1 0 291.311 -1.092 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@](C)(C(N)=O)C2)c(C#N)c1=O ZINC001363160364 886809071 /nfs/dbraw/zinc/80/90/71/886809071.db2.gz SLVIYDFSUBCZHE-GFCCVEGCSA-N -1 0 277.284 -1.353 20 30 CAEDRM Cn1nccc1[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363162714 886813010 /nfs/dbraw/zinc/81/30/10/886813010.db2.gz NUAPUZGQUUBZEK-VIFPVBQESA-N -1 0 290.283 -1.176 20 30 CAEDRM C[C@H](O)C1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363206999 886828032 /nfs/dbraw/zinc/82/80/32/886828032.db2.gz LRSLUTQURPLEQU-ZETCQYMHSA-N -1 0 278.268 -1.340 20 30 CAEDRM N#Cc1cn(CC(=O)N2C[C@H](O)[C@@H](CO)C2)c(=O)[n-]c1=O ZINC001363246834 886839936 /nfs/dbraw/zinc/83/99/36/886839936.db2.gz JVGACMQVEZWBLF-BDAKNGLRSA-N -1 0 294.267 -2.368 20 30 CAEDRM N#Cc1cn(CCNC(=O)Cc2c[nH]cn2)c(=O)[n-]c1=O ZINC001363288335 886857040 /nfs/dbraw/zinc/85/70/40/886857040.db2.gz PXRJKOFXEJVOMO-UHFFFAOYSA-N -1 0 288.267 -1.097 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@H]2CCC(=O)O2)c(=O)[n-]c1=O ZINC001363289386 886860016 /nfs/dbraw/zinc/86/00/16/886860016.db2.gz XVLBZEBHSRJMRZ-MRVPVSSYSA-N -1 0 292.251 -1.358 20 30 CAEDRM COC(=O)C[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363530697 886929371 /nfs/dbraw/zinc/92/93/71/886929371.db2.gz RBPVZRIEDAZGTG-SSDOTTSWSA-N -1 0 294.267 -1.112 20 30 CAEDRM N#CCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001363626607 886950186 /nfs/dbraw/zinc/95/01/86/886950186.db2.gz NVHIBOUUUXECEB-UHFFFAOYSA-N -1 0 278.272 -1.046 20 30 CAEDRM COCC1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001363653898 886957186 /nfs/dbraw/zinc/95/71/86/886957186.db2.gz LDRCJBWIGFAZLK-UHFFFAOYSA-N -1 0 278.268 -1.075 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@H](O)[C@H](F)C2)c(=O)[n-]c1=O ZINC001363668802 886959017 /nfs/dbraw/zinc/95/90/17/886959017.db2.gz AWLYTDDTPYICQV-BDAKNGLRSA-N -1 0 296.258 -1.248 20 30 CAEDRM N#Cc1cn(CC(=O)N2CC[C@H](O)[C@@H](F)C2)c(=O)[n-]c1=O ZINC001363668818 886959900 /nfs/dbraw/zinc/95/99/00/886959900.db2.gz AWLYTDDTPYICQV-IUCAKERBSA-N -1 0 296.258 -1.248 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CC23CC(O)C3)c(=O)[n-]c1=O ZINC001363692429 886961719 /nfs/dbraw/zinc/96/17/19/886961719.db2.gz YXCYXEBVRKFJST-JVVWGOMOSA-N -1 0 290.279 -1.150 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@@H]2CC23CC(O)C3)c(=O)[n-]c1=O ZINC001363692440 886963623 /nfs/dbraw/zinc/96/36/23/886963623.db2.gz YXCYXEBVRKFJST-XQVHRTOBSA-N -1 0 290.279 -1.150 20 30 CAEDRM N#Cc1cn(C2CN(C(=O)[C@@H](O)C3CC3)C2)c(=O)[n-]c1=O ZINC001363690168 886964102 /nfs/dbraw/zinc/96/41/02/886964102.db2.gz WQOPNLHZDLSJPH-JTQLQIEISA-N -1 0 290.279 -1.025 20 30 CAEDRM CO[C@](C)(CO)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001363714344 886966434 /nfs/dbraw/zinc/96/64/34/886966434.db2.gz GZYWPTYYGBOIQB-LBPRGKRZSA-N -1 0 296.283 -1.666 20 30 CAEDRM CC[C@@H]1C(=O)NCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363742528 886968778 /nfs/dbraw/zinc/96/87/78/886968778.db2.gz QXUSHPYGRWKMKO-MRVPVSSYSA-N -1 0 277.284 -1.340 20 30 CAEDRM CC[C@H]1C(=O)NCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363742537 886969524 /nfs/dbraw/zinc/96/95/24/886969524.db2.gz QXUSHPYGRWKMKO-QMMMGPOBSA-N -1 0 277.284 -1.340 20 30 CAEDRM COC[C@@]1(CO)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001363733320 886969546 /nfs/dbraw/zinc/96/95/46/886969546.db2.gz PXSIAYDUJNOQKH-ZDUSSCGKSA-N -1 0 294.311 -1.220 20 30 CAEDRM C[C@@H](CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N)c1nn[nH]n1 ZINC001363730807 886969947 /nfs/dbraw/zinc/96/99/47/886969947.db2.gz JOYVSAHCEVPDDT-LURJTMIESA-N -1 0 290.287 -1.302 20 30 CAEDRM CN(CC1(O)CCOCC1)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363724346 886970321 /nfs/dbraw/zinc/97/03/21/886970321.db2.gz CPXCZCYQSGSKNO-UHFFFAOYSA-N -1 0 294.311 -1.077 20 30 CAEDRM C[C@@H]1CN(C)C(=O)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363733450 886971107 /nfs/dbraw/zinc/97/11/07/886971107.db2.gz MLLBJRBPBIHORX-SSDOTTSWSA-N -1 0 277.284 -1.388 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCOC[C@@H]2CCO)c(C#N)c1=O ZINC001363747149 886972194 /nfs/dbraw/zinc/97/21/94/886972194.db2.gz IVYHSZXAIQWOCQ-QMMMGPOBSA-N -1 0 280.284 -1.467 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCOC[C@H]2CCO)c(C#N)c1=O ZINC001363747145 886973923 /nfs/dbraw/zinc/97/39/23/886973923.db2.gz IVYHSZXAIQWOCQ-MRVPVSSYSA-N -1 0 280.284 -1.467 20 30 CAEDRM Cn1c(=O)[n-]c(N2C3CCC2(C(N)=O)CC3)c(C#N)c1=O ZINC001363764026 886976904 /nfs/dbraw/zinc/97/69/04/886976904.db2.gz UQSADKWTUUXYCH-UHFFFAOYSA-N -1 0 289.295 -1.068 20 30 CAEDRM N#Cc1cn(CC(=O)NN2CCOC2=O)c(=O)[n-]c1=O ZINC001363989152 887016196 /nfs/dbraw/zinc/01/61/96/887016196.db2.gz DANSIWZIOPBAAA-UHFFFAOYSA-N -1 0 279.212 -1.696 20 30 CAEDRM CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC(O)C1 ZINC001364064471 887029555 /nfs/dbraw/zinc/02/95/55/887029555.db2.gz ZTPNLKOKWZCCHR-UHFFFAOYSA-N -1 0 278.268 -1.198 20 30 CAEDRM N#Cc1cn(CCNC(=O)C2(O)COC2)c(=O)[n-]c1=O ZINC001364108386 887032783 /nfs/dbraw/zinc/03/27/83/887032783.db2.gz OURADJWIXBZWRJ-UHFFFAOYSA-N -1 0 280.240 -2.302 20 30 CAEDRM N#Cc1cn(CCNC(=O)CC2COC2)c(=O)[n-]c1=O ZINC001364105659 887034487 /nfs/dbraw/zinc/03/44/87/887034487.db2.gz BLGPIJAHLKSWTJ-UHFFFAOYSA-N -1 0 278.268 -1.027 20 30 CAEDRM N#C[C@@]12CN(C(=O)c3n[nH]c(=O)[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001364116307 887035997 /nfs/dbraw/zinc/03/59/97/887035997.db2.gz MRIADGWXDLJMDY-WKEGUHRASA-N -1 0 297.296 -1.479 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H]2CCCN(C(N)=O)C2)c(C#N)c1=O ZINC001364143420 887038658 /nfs/dbraw/zinc/03/86/58/887038658.db2.gz BZDNCGCRIRCYPI-SSDOTTSWSA-N -1 0 292.299 -1.100 20 30 CAEDRM C[C@H]1CCNC(=O)[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364172981 887039154 /nfs/dbraw/zinc/03/91/54/887039154.db2.gz SMQZEGIRWPXSQG-XPUUQOCRSA-N -1 0 277.284 -1.118 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@H](C(N)=O)C2)c(C#N)c1=O ZINC001364151492 887039292 /nfs/dbraw/zinc/03/92/92/887039292.db2.gz UZSSTAMUTPLBLR-ZETCQYMHSA-N -1 0 279.256 -2.364 20 30 CAEDRM C[C@@H]1CCNC(=O)[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364172963 887040489 /nfs/dbraw/zinc/04/04/89/887040489.db2.gz SMQZEGIRWPXSQG-HTRCEHHLSA-N -1 0 277.284 -1.118 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2CCCN(C(N)=O)C2)c(C#N)c1=O ZINC001364143424 887040627 /nfs/dbraw/zinc/04/06/27/887040627.db2.gz BZDNCGCRIRCYPI-ZETCQYMHSA-N -1 0 292.299 -1.100 20 30 CAEDRM C[C@H](O)C[C@H]1COCCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364182919 887041869 /nfs/dbraw/zinc/04/18/69/887041869.db2.gz NRHSLJYMJDTCGA-IUCAKERBSA-N -1 0 294.311 -1.079 20 30 CAEDRM CCC[C@@H](O)[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364187814 887043106 /nfs/dbraw/zinc/04/31/06/887043106.db2.gz BWGGELMMKNRCHV-RKDXNWHRSA-N -1 0 282.300 -1.121 20 30 CAEDRM C[C@H](O)[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001364198215 887043951 /nfs/dbraw/zinc/04/39/51/887043951.db2.gz DYVIAGWIXNVVGK-IONNQARKSA-N -1 0 280.284 -1.469 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN(CC(N)=O)CC2)c(C#N)c1=O ZINC001364201100 887045051 /nfs/dbraw/zinc/04/50/51/887045051.db2.gz VUKRLOJBNGRNBV-UHFFFAOYSA-N -1 0 292.299 -2.447 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(NS(C)(=O)=O)C2)c(C#N)c1=O ZINC001364227321 887048128 /nfs/dbraw/zinc/04/81/28/887048128.db2.gz KALGBWYHWQHPPX-UHFFFAOYSA-N -1 0 299.312 -2.317 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H](CO)CC2OCCO2)c(C#N)c1=O ZINC001364229793 887048602 /nfs/dbraw/zinc/04/86/02/887048602.db2.gz ZFAYJQYIKTUGSQ-ZETCQYMHSA-N -1 0 296.283 -1.519 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@@H](CO)CC2OCCO2)c(C#N)c1=O ZINC001364229619 887050126 /nfs/dbraw/zinc/05/01/26/887050126.db2.gz ZFAYJQYIKTUGSQ-SSDOTTSWSA-N -1 0 296.283 -1.519 20 30 CAEDRM CCN(CCC(=O)NC)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001364259581 887052173 /nfs/dbraw/zinc/05/21/73/887052173.db2.gz XCMBEENPRDXCIZ-UHFFFAOYSA-N -1 0 279.300 -1.092 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H](CO)[C@H](CCO)C2)c(C#N)c1=O ZINC001364265444 887053206 /nfs/dbraw/zinc/05/32/06/887053206.db2.gz JTTIGAKYZLSFTQ-BDAKNGLRSA-N -1 0 294.311 -1.628 20 30 CAEDRM Cc1nc(=NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n(C)[nH]1 ZINC001364493783 887099034 /nfs/dbraw/zinc/09/90/34/887099034.db2.gz WEJDAMUIIZYEPN-UHFFFAOYSA-N -1 0 289.255 -1.682 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCn3cnnc3C2)c(C#N)c1=O ZINC001364536069 887106384 /nfs/dbraw/zinc/10/63/84/887106384.db2.gz VPZZZJRCYMLOIA-UHFFFAOYSA-N -1 0 273.256 -1.443 20 30 CAEDRM Cn1cc([C@H](O)CNc2[n-]c(=O)n(C)c(=O)c2C#N)cn1 ZINC001364543187 887106506 /nfs/dbraw/zinc/10/65/06/887106506.db2.gz MFXYAPMNLFUUCQ-SECBINFHSA-N -1 0 290.283 -1.176 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(OCCO)CC2)c(C#N)c1=O ZINC001364559975 887109324 /nfs/dbraw/zinc/10/93/24/887109324.db2.gz ZETNFIPBURURCE-UHFFFAOYSA-N -1 0 294.311 -1.077 20 30 CAEDRM Cn1c(=O)[n-]c(NCC2(O)CCOCC2)c(C#N)c1=O ZINC001364557871 887109873 /nfs/dbraw/zinc/10/98/73/887109873.db2.gz LRDAGCNZWRMKAX-UHFFFAOYSA-N -1 0 280.284 -1.101 20 30 CAEDRM N#Cc1cn(CCNC(=O)N2CCOCC2)c(=O)[n-]c1=O ZINC001364889512 887151127 /nfs/dbraw/zinc/15/11/27/887151127.db2.gz YXUPYGLNMSDLQH-UHFFFAOYSA-N -1 0 293.283 -1.138 20 30 CAEDRM Cn1nncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001364997604 887160828 /nfs/dbraw/zinc/16/08/28/887160828.db2.gz HZVXORPWWJLEFN-UHFFFAOYSA-N -1 0 275.228 -1.412 20 30 CAEDRM COC[C@@H](O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001365160934 887176668 /nfs/dbraw/zinc/17/66/68/887176668.db2.gz ZZBSXGIWJFNJGM-QMMMGPOBSA-N -1 0 282.256 -2.056 20 30 CAEDRM CC(C)NC(=O)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001365221755 887182710 /nfs/dbraw/zinc/18/27/10/887182710.db2.gz UFHLPYYNBYLMEC-UHFFFAOYSA-N -1 0 279.300 -1.094 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCC(NC(N)=O)CC2)c(C#N)c1=O ZINC001365215533 887182831 /nfs/dbraw/zinc/18/28/31/887182831.db2.gz KIESTJVRWVFQMN-UHFFFAOYSA-N -1 0 292.299 -1.418 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H](CO)OC(C)(C)C2)c(C#N)c1=O ZINC001365232236 887185264 /nfs/dbraw/zinc/18/52/64/887185264.db2.gz UVNDSECEUVITSN-QMMMGPOBSA-N -1 0 294.311 -1.079 20 30 CAEDRM Cn1c(=O)[n-]c(N[C@H]2CC[C@@H](O)[C@@H](O)C2)c(C#N)c1=O ZINC001365241495 887185725 /nfs/dbraw/zinc/18/57/25/887185725.db2.gz XOUZATRLCTULIR-ZQARSLAVSA-N -1 0 280.284 -1.369 20 30 CAEDRM C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1 ZINC001405726207 889468201 /nfs/dbraw/zinc/46/82/01/889468201.db2.gz FITYRLQCHMCKJU-BDAKNGLRSA-N -1 0 294.315 -1.013 20 30 CAEDRM N#Cc1cn(CC(=O)NCCn2ccnc2)c(=O)[n-]c1=O ZINC001411642076 889758148 /nfs/dbraw/zinc/75/81/48/889758148.db2.gz DAKNKDPKXLYMGI-UHFFFAOYSA-N -1 0 288.267 -1.167 20 30 CAEDRM CN(Cc1ncon1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001411974257 889777884 /nfs/dbraw/zinc/77/78/84/889777884.db2.gz JXZWEKCKIAELPI-UHFFFAOYSA-N -1 0 290.239 -1.138 20 30 CAEDRM N#Cc1cn(CCC(=O)Nn2cnnc2)c(=O)[n-]c1=O ZINC001411962584 889779192 /nfs/dbraw/zinc/77/91/92/889779192.db2.gz GOFDTSPRRBDOQV-UHFFFAOYSA-N -1 0 275.228 -1.428 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCC[C@@H](O)C2)c(=O)[n-]c1=O ZINC001412302487 889811336 /nfs/dbraw/zinc/81/13/36/889811336.db2.gz DKHHMCJLYDWDPJ-SECBINFHSA-N -1 0 278.268 -1.196 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@@H]2COC[C@@H]2O)c(=O)[n-]c1=O ZINC001412434751 889831231 /nfs/dbraw/zinc/83/12/31/889831231.db2.gz XUQHAVKHVQHJDU-BDAKNGLRSA-N -1 0 294.267 -1.913 20 30 CAEDRM C[S@@](=O)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001412534630 889845465 /nfs/dbraw/zinc/84/54/65/889845465.db2.gz MNMOEKATTVMRNS-HXUWFJFHSA-N -1 0 298.324 -1.295 20 30 CAEDRM C[S@](=O)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001412534593 889845656 /nfs/dbraw/zinc/84/56/56/889845656.db2.gz MNMOEKATTVMRNS-FQEVSTJZSA-N -1 0 298.324 -1.295 20 30 CAEDRM CC(C)OC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001412529902 889847228 /nfs/dbraw/zinc/84/72/28/889847228.db2.gz QTZUQYJITZBHDM-UHFFFAOYSA-N -1 0 294.267 -1.112 20 30 CAEDRM CNC(=O)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001412575956 889852080 /nfs/dbraw/zinc/85/20/80/889852080.db2.gz ZBGNJDGFLPVYEH-UHFFFAOYSA-N -1 0 279.256 -1.927 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](CO)[C@H](O)C2)c(C#N)c1=O ZINC001412881741 889903689 /nfs/dbraw/zinc/90/36/89/889903689.db2.gz JEEJFJBULDRHIW-VXNVDRBHSA-N -1 0 280.284 -1.875 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCCS(=O)(=O)CC2)c(C#N)c1=O ZINC001412870916 889903931 /nfs/dbraw/zinc/90/39/31/889903931.db2.gz RZJTUHOGFJGRIB-UHFFFAOYSA-N -1 0 298.324 -1.430 20 30 CAEDRM Cn1c(=O)[n-]c(NCCC2CS(=O)(=O)C2)c(C#N)c1=O ZINC001412889221 889904237 /nfs/dbraw/zinc/90/42/37/889904237.db2.gz ZTAQSQGWAPIBFG-UHFFFAOYSA-N -1 0 298.324 -1.208 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H]2CCN(C(N)=O)C2)c(C#N)c1=O ZINC001412885642 889904423 /nfs/dbraw/zinc/90/44/23/889904423.db2.gz SEBBHIRIBPRZAZ-SSDOTTSWSA-N -1 0 292.299 -1.242 20 30 CAEDRM CCN(CC(=O)N(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001412872465 889905708 /nfs/dbraw/zinc/90/57/08/889905708.db2.gz SHXZMLOCIIKVGP-UHFFFAOYSA-N -1 0 279.300 -1.140 20 30 CAEDRM CN1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@H](CO)C1 ZINC001412903560 889907777 /nfs/dbraw/zinc/90/77/77/889907777.db2.gz WQTVCEGOAOYDHL-QMMMGPOBSA-N -1 0 279.300 -1.942 20 30 CAEDRM CN1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@@H](CO)C1 ZINC001412903537 889908432 /nfs/dbraw/zinc/90/84/32/889908432.db2.gz WQTVCEGOAOYDHL-MRVPVSSYSA-N -1 0 279.300 -1.942 20 30 CAEDRM C[C@@]1(O)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001412918899 889911424 /nfs/dbraw/zinc/91/14/24/889911424.db2.gz KWLBINKINMNXEY-GFCCVEGCSA-N -1 0 278.268 -1.196 20 30 CAEDRM CNC(=O)C[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001412978260 889919665 /nfs/dbraw/zinc/91/96/65/889919665.db2.gz RLZVSZMXGFVDDG-ZETCQYMHSA-N -1 0 293.283 -1.539 20 30 CAEDRM CC(C)[C@H](O)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001413308577 889959893 /nfs/dbraw/zinc/95/98/93/889959893.db2.gz OGDBXZRCZAMDTG-VIFPVBQESA-N -1 0 280.284 -1.046 20 30 CAEDRM COC(=O)[C@@]1(O)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001413911666 890023713 /nfs/dbraw/zinc/02/37/13/890023713.db2.gz LIVNZLAHXNUUEN-GFCCVEGCSA-N -1 0 294.267 -1.941 20 30 CAEDRM COC(=O)C[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001413901245 890024212 /nfs/dbraw/zinc/02/42/12/890024212.db2.gz XKOZAFYQERGMAA-LURJTMIESA-N -1 0 282.256 -1.719 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](CC(N)=O)C2)c(C#N)c1=O ZINC001413887406 890024992 /nfs/dbraw/zinc/02/49/92/890024992.db2.gz DZDLQXKLLJSXQL-SSDOTTSWSA-N -1 0 277.284 -1.353 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](CC(N)=O)C2)c(C#N)c1=O ZINC001413887419 890025030 /nfs/dbraw/zinc/02/50/30/890025030.db2.gz DZDLQXKLLJSXQL-ZETCQYMHSA-N -1 0 277.284 -1.353 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCc3[nH]nc(N)c3C2)c(C#N)c1=O ZINC001413910051 890025854 /nfs/dbraw/zinc/02/58/54/890025854.db2.gz GGQQJLQHXWHIIK-UHFFFAOYSA-N -1 0 287.283 -1.187 20 30 CAEDRM COC(=O)[C@]1(O)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001413911681 890026122 /nfs/dbraw/zinc/02/61/22/890026122.db2.gz LIVNZLAHXNUUEN-LBPRGKRZSA-N -1 0 294.267 -1.941 20 30 CAEDRM Cn1nc(N)c2c1CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C2 ZINC001413888791 890026150 /nfs/dbraw/zinc/02/61/50/890026150.db2.gz PBNBNQKLRZVVOF-UHFFFAOYSA-N -1 0 287.283 -1.219 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@]3(CNC(=O)C3)C2)c(C#N)c1=O ZINC001413885352 890026488 /nfs/dbraw/zinc/02/64/88/890026488.db2.gz IQSGQFVYLWDDSM-CYBMUJFWSA-N -1 0 289.295 -1.338 20 30 CAEDRM COC(=O)[C@@H](F)CNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001413910010 890026598 /nfs/dbraw/zinc/02/65/98/890026598.db2.gz UGOFKQIBFIFMMM-LURJTMIESA-N -1 0 270.220 -1.132 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CCNC(=O)C2)c(=O)[n-]c1=O ZINC001417596027 890144892 /nfs/dbraw/zinc/14/48/92/890144892.db2.gz GPYQNZGRBLMZEO-UHFFFAOYSA-N -1 0 291.267 -1.831 20 30 CAEDRM CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H]1CCNC1=O ZINC001417683144 890155384 /nfs/dbraw/zinc/15/53/84/890155384.db2.gz GXSVOQKSZAXNJA-QMMMGPOBSA-N -1 0 291.267 -1.833 20 30 CAEDRM N#Cc1cn(CC(=O)NCCc2cn[nH]c2)c(=O)[n-]c1=O ZINC001417885153 890176186 /nfs/dbraw/zinc/17/61/86/890176186.db2.gz FECGKZCDJYGWPP-UHFFFAOYSA-N -1 0 288.267 -1.097 20 30 CAEDRM COC(=O)[C@@H](CF)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001417885154 890176716 /nfs/dbraw/zinc/17/67/16/890176716.db2.gz FHAUYUZYVGGPIC-SSDOTTSWSA-N -1 0 298.230 -1.552 20 30 CAEDRM N#Cc1cn(CCNC(=O)C2=COCCO2)c(=O)[n-]c1=O ZINC001418529874 890236677 /nfs/dbraw/zinc/23/66/77/890236677.db2.gz UHBYCNORHILAEE-UHFFFAOYSA-N -1 0 292.251 -1.175 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@@H]2CCC(=O)N2)c(=O)[n-]c1=O ZINC001418536239 890236924 /nfs/dbraw/zinc/23/69/24/890236924.db2.gz KWXCBAMGDQZVTM-QMMMGPOBSA-N -1 0 291.267 -1.785 20 30 CAEDRM N#Cc1cn(CCNC(=O)c2ncc[nH]2)c(=O)[n-]c1=O ZINC001418536754 890239030 /nfs/dbraw/zinc/23/90/30/890239030.db2.gz SDZZABKXENSMDU-UHFFFAOYSA-N -1 0 274.240 -1.026 20 30 CAEDRM N#C[C@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C1CC1 ZINC001418948938 890276748 /nfs/dbraw/zinc/27/67/48/890276748.db2.gz UHYZMAUNVCUHAZ-VIFPVBQESA-N -1 0 292.299 -1.112 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCN(C(N)=O)CC2)c(C#N)c1=O ZINC001421086978 890484489 /nfs/dbraw/zinc/48/44/89/890484489.db2.gz HSIIKEUJJWTORJ-UHFFFAOYSA-N -1 0 278.272 -1.854 20 30 CAEDRM Cc1[nH][nH]c(=O)c1CCNc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001421085473 890485101 /nfs/dbraw/zinc/48/51/01/890485101.db2.gz XDVKOGFLWCRYKZ-ZETCQYMHSA-N -1 0 290.283 -1.131 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](n3cncn3)C2)c(C#N)c1=O ZINC001421133299 890488568 /nfs/dbraw/zinc/48/85/68/890488568.db2.gz WKJGWTJMECNJHF-MRVPVSSYSA-N -1 0 287.283 -1.012 20 30 CAEDRM Cn1c(=O)[n-]c(NCCn2cnccc2=O)c(C#N)c1=O ZINC001421162299 890488619 /nfs/dbraw/zinc/48/86/19/890488619.db2.gz UWRRVKVUZCHNAG-UHFFFAOYSA-N -1 0 288.267 -1.386 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(S(C)(=O)=O)C2)c(C#N)c1=O ZINC001421121441 890488776 /nfs/dbraw/zinc/48/87/76/890488776.db2.gz IVCWSLZZNFYTLB-UHFFFAOYSA-N -1 0 284.297 -1.822 20 30 CAEDRM COC(=O)C1(O)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001421283398 890494307 /nfs/dbraw/zinc/49/43/07/890494307.db2.gz DAAFYHNWQMZDJY-UHFFFAOYSA-N -1 0 280.240 -2.331 20 30 CAEDRM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423752868 890693782 /nfs/dbraw/zinc/69/37/82/890693782.db2.gz ZREUGDCCUZNITD-PRHODGIISA-N -1 0 294.315 -1.277 20 30 CAEDRM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001423752870 890694125 /nfs/dbraw/zinc/69/41/25/890694125.db2.gz ZREUGDCCUZNITD-UFBFGSQYSA-N -1 0 294.315 -1.277 20 30 CAEDRM CCN1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001433593440 891038359 /nfs/dbraw/zinc/03/83/59/891038359.db2.gz ABPFVWRBQXULNV-UHFFFAOYSA-N -1 0 291.311 -1.015 20 30 CAEDRM Cn1cnnc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001433898002 891061175 /nfs/dbraw/zinc/06/11/75/891061175.db2.gz QOYFCGZVOAKTKW-UHFFFAOYSA-N -1 0 275.228 -1.412 20 30 CAEDRM CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(=O)NC ZINC001434102756 891078374 /nfs/dbraw/zinc/07/83/74/891078374.db2.gz NKLJVGKTOWNZNL-MRVPVSSYSA-N -1 0 293.283 -1.539 20 30 CAEDRM Cn1cncc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001434205444 891087573 /nfs/dbraw/zinc/08/75/73/891087573.db2.gz BDJIAKJMPLBVGO-UHFFFAOYSA-N -1 0 288.267 -1.016 20 30 CAEDRM N#Cc1cn(CC(=O)N[C@H]2CCNC2=O)c(=O)[n-]c1=O ZINC001434213081 891088310 /nfs/dbraw/zinc/08/83/10/891088310.db2.gz MPWYOCRXYACXGB-ZETCQYMHSA-N -1 0 277.240 -2.175 20 30 CAEDRM CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1COC[C@H]1O ZINC001434371651 891109717 /nfs/dbraw/zinc/10/97/17/891109717.db2.gz FCBUVNHAIVUJLD-RKDXNWHRSA-N -1 0 294.267 -1.961 20 30 CAEDRM N#Cc1cn(CCC(=O)N2CC[C@H]2CO)c(=O)[n-]c1=O ZINC001434382309 891111702 /nfs/dbraw/zinc/11/17/02/891111702.db2.gz FPCPSJLEYLAGRW-VIFPVBQESA-N -1 0 278.268 -1.196 20 30 CAEDRM Cn1cnc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1 ZINC001434412081 891114021 /nfs/dbraw/zinc/11/40/21/891114021.db2.gz TUOVMWODHLYBFT-UHFFFAOYSA-N -1 0 288.267 -1.130 20 30 CAEDRM CC(C)(O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001434417917 891116089 /nfs/dbraw/zinc/11/60/89/891116089.db2.gz PBDNGHOWYKXARG-UHFFFAOYSA-N -1 0 278.268 -1.025 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H](O)[C@@H]2CCCO2)c(C#N)c1=O ZINC001434448031 891117684 /nfs/dbraw/zinc/11/76/84/891117684.db2.gz CXHMVTBKBNVMBQ-BDAKNGLRSA-N -1 0 280.284 -1.103 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@]3(CCOC3)C2)c(C#N)c1=O ZINC001434443585 891117757 /nfs/dbraw/zinc/11/77/57/891117757.db2.gz ARKDROWEVNDRSN-CYBMUJFWSA-N -1 0 292.295 -1.059 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@@H](O)[C@H]2CCCO2)c(C#N)c1=O ZINC001434448042 891117769 /nfs/dbraw/zinc/11/77/69/891117769.db2.gz CXHMVTBKBNVMBQ-RKDXNWHRSA-N -1 0 280.284 -1.103 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCOC[C@@H]2CC(N)=O)c(C#N)c1=O ZINC001434449509 891118073 /nfs/dbraw/zinc/11/80/73/891118073.db2.gz XXAJFDDJFOMEDM-ZETCQYMHSA-N -1 0 293.283 -1.974 20 30 CAEDRM CCN1CC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1=O ZINC001434444636 891118216 /nfs/dbraw/zinc/11/82/16/891118216.db2.gz VGXHLYQAYGGTKO-QMMMGPOBSA-N -1 0 277.284 -1.022 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCO[C@@]3(CCOC3)C2)c(C#N)c1=O ZINC001434443588 891118521 /nfs/dbraw/zinc/11/85/21/891118521.db2.gz ARKDROWEVNDRSN-ZDUSSCGKSA-N -1 0 292.295 -1.059 20 30 CAEDRM CCN1CC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1=O ZINC001434444633 891118667 /nfs/dbraw/zinc/11/86/67/891118667.db2.gz VGXHLYQAYGGTKO-MRVPVSSYSA-N -1 0 277.284 -1.022 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nnn[n-]2)C1=O ZINC001437665643 891188383 /nfs/dbraw/zinc/18/83/83/891188383.db2.gz KOCCBNCLODTJIE-UHFFFAOYSA-N -1 0 293.243 -1.861 20 30 CAEDRM N#C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)CCO1 ZINC001443309751 891521517 /nfs/dbraw/zinc/52/15/17/891521517.db2.gz DUPYFDJRPBWPKB-ZCFIWIBFSA-N -1 0 253.218 -1.560 20 30 CAEDRM COC[C@@](C)(C#N)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001445653668 891648707 /nfs/dbraw/zinc/64/87/07/891648707.db2.gz IGYDNOYOCPGMJD-SECBINFHSA-N -1 0 255.234 -1.266 20 30 CAEDRM N#CCC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001445694516 891650158 /nfs/dbraw/zinc/65/01/58/891650158.db2.gz UVJFQWGBRNOVJP-UHFFFAOYSA-N -1 0 294.271 -1.726 20 30 CAEDRM C[C@@H](O)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001446286030 891670078 /nfs/dbraw/zinc/67/00/78/891670078.db2.gz AOAITGNIAACXND-SSDOTTSWSA-N -1 0 266.257 -1.292 20 30 CAEDRM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447125269 891715073 /nfs/dbraw/zinc/71/50/73/891715073.db2.gz JCBPQIILQVKMHQ-IUCAKERBSA-N -1 0 294.315 -1.013 20 30 CAEDRM C[C@H](C#N)C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1 ZINC001447125261 891715216 /nfs/dbraw/zinc/71/52/16/891715216.db2.gz JCBPQIILQVKMHQ-BDAKNGLRSA-N -1 0 294.315 -1.013 20 30 CAEDRM C=CCO[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001449657781 891856751 /nfs/dbraw/zinc/85/67/51/891856751.db2.gz SRMRBHCDMWZINA-UHFFFAOYSA-N -1 0 293.283 -1.333 20 30 CAEDRM C#C[C@@H](CO)NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001450337138 891872884 /nfs/dbraw/zinc/87/28/84/891872884.db2.gz XMCFXAOWTXYGTH-ZETCQYMHSA-N -1 0 254.246 -1.420 20 30 CAEDRM COC(=O)[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001453542428 891977044 /nfs/dbraw/zinc/97/70/44/891977044.db2.gz OEOLVKNVYBJUQQ-ZETCQYMHSA-N -1 0 294.267 -1.160 20 30 CAEDRM N#Cc1cn(CCC(=O)N[C@@H]2CC[C@H]2O)c(=O)[n-]c1=O ZINC001456667694 892086094 /nfs/dbraw/zinc/08/60/94/892086094.db2.gz CYOYKSXTUHXGFJ-RKDXNWHRSA-N -1 0 278.268 -1.150 20 30 CAEDRM CC(C)[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001457375909 892097569 /nfs/dbraw/zinc/09/75/69/892097569.db2.gz DSJBRKMCPCNXSG-VIFPVBQESA-N -1 0 280.284 -1.046 20 30 CAEDRM N#Cc1cn(CC(=O)NC2(CO)CCC2)c(=O)[n-]c1=O ZINC001457852159 892101927 /nfs/dbraw/zinc/10/19/27/892101927.db2.gz NIXSXJJGVLHKDS-UHFFFAOYSA-N -1 0 278.268 -1.148 20 30 CAEDRM C[C@@H]1CO[C@H](CO)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458257165 892118305 /nfs/dbraw/zinc/11/83/05/892118305.db2.gz WAZVRUPWSFUVRM-SFYZADRCSA-N -1 0 280.284 -1.469 20 30 CAEDRM CO[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001458331652 892118688 /nfs/dbraw/zinc/11/86/88/892118688.db2.gz PVNVFMNNWITMPP-MRVPVSSYSA-N -1 0 266.257 -1.246 20 30 CAEDRM COC(=O)[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001458168481 892118792 /nfs/dbraw/zinc/11/87/92/892118792.db2.gz QCGVBBIIZJDFJP-QMMMGPOBSA-N -1 0 294.267 -1.677 20 30 CAEDRM COC(=O)[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CCO1 ZINC001458168468 892119583 /nfs/dbraw/zinc/11/95/83/892119583.db2.gz QCGVBBIIZJDFJP-MRVPVSSYSA-N -1 0 294.267 -1.677 20 30 CAEDRM COCCN1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1=O ZINC001458335599 892119844 /nfs/dbraw/zinc/11/98/44/892119844.db2.gz ZGKBGNUJVRFVGG-UHFFFAOYSA-N -1 0 293.283 -1.802 20 30 CAEDRM Cn1c(=O)[n-]c(N(CCO)C2CCOCC2)c(C#N)c1=O ZINC001458333911 892119931 /nfs/dbraw/zinc/11/99/31/892119931.db2.gz UNAHLPPBDLKRNS-UHFFFAOYSA-N -1 0 294.311 -1.077 20 30 CAEDRM CCCN(CC(N)=O)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458403206 892121478 /nfs/dbraw/zinc/12/14/78/892121478.db2.gz SSLIVGATQARFKA-UHFFFAOYSA-N -1 0 265.273 -1.353 20 30 CAEDRM COC1(CO)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001458455812 892121711 /nfs/dbraw/zinc/12/17/11/892121711.db2.gz NYGXHPDSACAUAD-UHFFFAOYSA-N -1 0 294.311 -1.077 20 30 CAEDRM CON(C)C(=O)[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458516226 892121885 /nfs/dbraw/zinc/12/18/85/892121885.db2.gz USBFMUNPGXGHGM-ZCFIWIBFSA-N -1 0 281.272 -1.235 20 30 CAEDRM COC[C@@H]1C[C@@H](O)CN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458469638 892122117 /nfs/dbraw/zinc/12/21/17/892122117.db2.gz ZWESMWKEPKFWQL-JGVFFNPUSA-N -1 0 280.284 -1.469 20 30 CAEDRM CN1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1=O ZINC001458488510 892122203 /nfs/dbraw/zinc/12/22/03/892122203.db2.gz AIFMOGPCXUSPBY-QMMMGPOBSA-N -1 0 277.284 -1.022 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(=O)N(C3CC3)C2)c(C#N)c1=O ZINC001458359353 892122416 /nfs/dbraw/zinc/12/24/16/892122416.db2.gz XIEQBAKSBHIIFI-UHFFFAOYSA-N -1 0 275.268 -1.286 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](O)[C@@H](CO)C2)c(C#N)c1=O ZINC001458437915 892123387 /nfs/dbraw/zinc/12/33/87/892123387.db2.gz BBDBTCRUACHHCW-VXNVDRBHSA-N -1 0 280.284 -1.875 20 30 CAEDRM Cn1c(=O)[n-]c(NCCN2CCCC2=O)c(C#N)c1=O ZINC001458473474 892123560 /nfs/dbraw/zinc/12/35/60/892123560.db2.gz WRLJQJKQEXNHRZ-UHFFFAOYSA-N -1 0 277.284 -1.020 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](O)[C@H](CO)C2)c(C#N)c1=O ZINC001458437908 892123783 /nfs/dbraw/zinc/12/37/83/892123783.db2.gz BBDBTCRUACHHCW-CBAPKCEASA-N -1 0 280.284 -1.875 20 30 CAEDRM COC(=O)N[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001458582850 892126383 /nfs/dbraw/zinc/12/63/83/892126383.db2.gz CKZZSGOUVSMWKZ-ZETCQYMHSA-N -1 0 293.283 -1.120 20 30 CAEDRM C=CCNC(=O)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001463410446 892167070 /nfs/dbraw/zinc/16/70/70/892167070.db2.gz IYGYJFAMBRDXNL-UHFFFAOYSA-N -1 0 269.348 -1.149 20 30 CAEDRM COC(=O)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001463993252 892177718 /nfs/dbraw/zinc/17/77/18/892177718.db2.gz BLKIRSNCVHSWKH-UHFFFAOYSA-N -1 0 294.267 -1.158 20 30 CAEDRM COC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001463942613 892178506 /nfs/dbraw/zinc/17/85/06/892178506.db2.gz GFVLVNJZTFACQW-UHFFFAOYSA-N -1 0 266.213 -1.890 20 30 CAEDRM N#Cc1cn(CCC(=O)NCCOCCO)c(=O)[n-]c1=O ZINC001464040259 892181790 /nfs/dbraw/zinc/18/17/90/892181790.db2.gz GLAXYDVMFLVPDI-UHFFFAOYSA-N -1 0 296.283 -1.664 20 30 CAEDRM C[C@H]1C(=O)NCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001464819899 892195553 /nfs/dbraw/zinc/19/55/53/892195553.db2.gz PGEVJFMBEVLUTF-ZETCQYMHSA-N -1 0 291.267 -1.833 20 30 CAEDRM CC(C)[C@@H](O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001465857542 892212551 /nfs/dbraw/zinc/21/25/51/892212551.db2.gz ASXLPJDWEIVOCL-VIFPVBQESA-N -1 0 280.284 -1.046 20 30 CAEDRM Cn1cnnc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001466769438 892232998 /nfs/dbraw/zinc/23/29/98/892232998.db2.gz AWPCXSHAODLMGN-UHFFFAOYSA-N -1 0 289.255 -1.022 20 30 CAEDRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@@H]1C#N ZINC001466838171 892236954 /nfs/dbraw/zinc/23/69/54/892236954.db2.gz SMKVJWUWQHMXAM-RNFRBKRXSA-N -1 0 259.287 -1.272 20 30 CAEDRM N#Cc1cn(CCC(=O)NOCCO)c(=O)[n-]c1=O ZINC001467300387 892245043 /nfs/dbraw/zinc/24/50/43/892245043.db2.gz BUEWBSGWVRGLPM-UHFFFAOYSA-N -1 0 268.229 -1.749 20 30 CAEDRM C#CCC[C@@H](O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001467455236 892247962 /nfs/dbraw/zinc/24/79/62/892247962.db2.gz CIZNZIWDTNZPBB-SNVBAGLBSA-N -1 0 290.279 -1.289 20 30 CAEDRM C=CCO[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001468106823 892261634 /nfs/dbraw/zinc/26/16/34/892261634.db2.gz BCLCOHCFOVBLOK-UHFFFAOYSA-N -1 0 293.283 -1.333 20 30 CAEDRM C[NH+](C)CCO[N-]C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001468996415 892286422 /nfs/dbraw/zinc/28/64/22/892286422.db2.gz RMUIWJYLGSEAGU-UHFFFAOYSA-N -1 0 281.272 -1.570 20 30 CAEDRM C#CC1(O)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001470365322 892314646 /nfs/dbraw/zinc/31/46/46/892314646.db2.gz RDRFVQUHKAKNTI-UHFFFAOYSA-N -1 0 266.257 -1.324 20 30 CAEDRM Cn1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)nn1 ZINC001471511720 892358162 /nfs/dbraw/zinc/35/81/62/892358162.db2.gz UYQQDTRROSHWLO-UHFFFAOYSA-N -1 0 289.255 -1.022 20 30 CAEDRM Cn1c(=O)[n-]c(NCC(=O)NCC2CC2)c(C#N)c1=O ZINC001472744477 892404553 /nfs/dbraw/zinc/40/45/53/892404553.db2.gz SJZJQOVGFBBNBW-UHFFFAOYSA-N -1 0 277.284 -1.117 20 30 CAEDRM COC(=O)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472653193 892404586 /nfs/dbraw/zinc/40/45/86/892404586.db2.gz ZBIVQJDDPHLNPX-UHFFFAOYSA-N -1 0 252.230 -1.446 20 30 CAEDRM C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H](CO)O1 ZINC001472758545 892404714 /nfs/dbraw/zinc/40/47/14/892404714.db2.gz VXPFVYRYPJTXSD-YUMQZZPRSA-N -1 0 280.284 -1.469 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@@H](CO)[C@H](CO)C2)c(C#N)c1=O ZINC001472842109 892406493 /nfs/dbraw/zinc/40/64/93/892406493.db2.gz UILGHAYVXSUHGV-YUMQZZPRSA-N -1 0 280.284 -2.018 20 30 CAEDRM C[C@H]1C(=O)N(C)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472763193 892407381 /nfs/dbraw/zinc/40/73/81/892407381.db2.gz YVKRGFVCRPWTDZ-ZETCQYMHSA-N -1 0 277.284 -1.388 20 30 CAEDRM C[C@@H](CC(N)=O)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472784758 892408000 /nfs/dbraw/zinc/40/80/00/892408000.db2.gz NBWMJTJGFVNSCW-YFKPBYRVSA-N -1 0 251.246 -1.379 20 30 CAEDRM COC(=O)[C@@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001472772053 892408529 /nfs/dbraw/zinc/40/85/29/892408529.db2.gz CJEOVJFZDCIAJY-ZCFIWIBFSA-N -1 0 266.257 -1.057 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@@H](O)[C@@H](O)C2)c(C#N)c1=O ZINC001472854526 892408685 /nfs/dbraw/zinc/40/86/85/892408685.db2.gz OLCALCNSTBRNOW-SFYZADRCSA-N -1 0 266.257 -2.123 20 30 CAEDRM C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NCC#N ZINC001480557534 892535035 /nfs/dbraw/zinc/53/50/35/892535035.db2.gz RIAUKQZWTUPCAJ-QMMMGPOBSA-N -1 0 289.299 -1.311 20 30 CAEDRM C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)NCC#N ZINC001480557521 892535866 /nfs/dbraw/zinc/53/58/66/892535866.db2.gz RIAUKQZWTUPCAJ-MRVPVSSYSA-N -1 0 289.299 -1.311 20 30 CAEDRM N#CCNC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001480675481 892542354 /nfs/dbraw/zinc/54/23/54/892542354.db2.gz FDKRHHVMADQXPQ-MRVPVSSYSA-N -1 0 280.288 -1.349 20 30 CAEDRM CCN(CC#N)CCNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001480986259 892570540 /nfs/dbraw/zinc/57/05/40/892570540.db2.gz QKBFQLWZFUHNNL-UHFFFAOYSA-N -1 0 266.261 -1.142 20 30 CAEDRM C=CCOCCN1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001481569576 892610760 /nfs/dbraw/zinc/61/07/60/892610760.db2.gz HSBKEFGWGQJALI-UHFFFAOYSA-N -1 0 295.299 -1.101 20 30 CAEDRM CC[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCC#N ZINC001481871360 892631326 /nfs/dbraw/zinc/63/13/26/892631326.db2.gz SEULERDADAQLMR-ZETCQYMHSA-N -1 0 268.277 -1.303 20 30 CAEDRM Cc1n[nH]c(C(=O)NCC2(O)CN(CC#N)C2)c1[O-] ZINC001484268710 892837489 /nfs/dbraw/zinc/83/74/89/892837489.db2.gz XRHYLJGRIILBBE-UHFFFAOYSA-N -1 0 265.273 -1.276 20 30 CAEDRM C[C@H](C#N)C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001485400712 892928968 /nfs/dbraw/zinc/92/89/68/892928968.db2.gz OZPAJULYFHCSLN-MRVPVSSYSA-N -1 0 294.315 -1.277 20 30 CAEDRM Cc1n[nH]c(C(=O)NCCN(C)CC(=O)NCC#N)c1[O-] ZINC001492227032 893334196 /nfs/dbraw/zinc/33/41/96/893334196.db2.gz QQGJTURLUOLBPY-UHFFFAOYSA-N -1 0 294.315 -1.275 20 30 CAEDRM C[C@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(CC#N)C1 ZINC001500280726 893735307 /nfs/dbraw/zinc/73/53/07/893735307.db2.gz JLVJXYGUOUXRQT-NSHDSACASA-N -1 0 280.288 -1.207 20 30 CAEDRM CN(CC#N)CCOCCNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001506976641 893950418 /nfs/dbraw/zinc/95/04/18/893950418.db2.gz HPOQBRHVFWPBJQ-UHFFFAOYSA-N -1 0 298.303 -1.723 20 30 CAEDRM C[C@@H](CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)NCC#N ZINC001507147682 893959442 /nfs/dbraw/zinc/95/94/42/893959442.db2.gz KGUWHEGNKQEALU-ZETCQYMHSA-N -1 0 268.277 -1.351 20 30 CAEDRM CN(CC#N)C[C@@H](O)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001507729984 894077956 /nfs/dbraw/zinc/07/79/56/894077956.db2.gz UWILBUOEVDUEQS-MRVPVSSYSA-N -1 0 298.303 -2.036 20 30 CAEDRM CN(CC#N)C[C@H](O)CN(C)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001507729985 894082051 /nfs/dbraw/zinc/08/20/51/894082051.db2.gz UWILBUOEVDUEQS-QMMMGPOBSA-N -1 0 298.303 -2.036 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCS(=O)CC2)c(C#N)c1=O ZINC001515445154 894185608 /nfs/dbraw/zinc/18/56/08/894185608.db2.gz QNUFWKHJGAKTJJ-UHFFFAOYSA-N -1 0 268.298 -1.486 20 30 CAEDRM COCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001540327093 894454613 /nfs/dbraw/zinc/45/46/13/894454613.db2.gz NVRQYQURPNFBBX-UHFFFAOYSA-N -1 0 266.257 -1.027 20 30 CAEDRM C[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001540695243 894459262 /nfs/dbraw/zinc/45/92/62/894459262.db2.gz SRLYMAZZLSLTJR-ZCFIWIBFSA-N -1 0 252.230 -1.682 20 30 CAEDRM N#Cc1cn(CCC(=O)NCCCO)c(=O)[n-]c1=O ZINC001543411175 894470981 /nfs/dbraw/zinc/47/09/81/894470981.db2.gz BTDADIOMAYHXPB-UHFFFAOYSA-N -1 0 266.257 -1.291 20 30 CAEDRM C#CCN(C(=O)CCc1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC001545062105 894477208 /nfs/dbraw/zinc/47/72/08/894477208.db2.gz BYZWHTYITIWCCY-VIFPVBQESA-N -1 0 297.340 -1.219 20 30 CAEDRM C[C@@H](CCO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001546022014 894481942 /nfs/dbraw/zinc/48/19/42/894481942.db2.gz UDJKKVPMDUAMOJ-ZETCQYMHSA-N -1 0 266.257 -1.292 20 30 CAEDRM C#CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)OC ZINC001556970818 894589121 /nfs/dbraw/zinc/58/91/21/894589121.db2.gz JICKBEJYKVIEKA-VIFPVBQESA-N -1 0 293.279 -1.392 20 30 CAEDRM C=CCC1(O)CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001558318061 894616010 /nfs/dbraw/zinc/61/60/10/894616010.db2.gz WPKNPJPNOMMEMU-UHFFFAOYSA-N -1 0 254.246 -1.161 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCCS(=O)(=O)N(C)C ZINC000231022222 949745219 /nfs/dbraw/zinc/74/52/19/949745219.db2.gz JRJOVTOKVCSVEX-UHFFFAOYSA-N -1 0 291.329 -1.393 20 30 CAEDRM N#Cc1ncn(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC001601136553 970941416 /nfs/dbraw/zinc/94/14/16/970941416.db2.gz TTYTXUSPTLYUPR-MRVPVSSYSA-N -1 0 294.271 -1.355 20 30 CAEDRM N#Cc1ncn(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001601136554 970941867 /nfs/dbraw/zinc/94/18/67/970941867.db2.gz TTYTXUSPTLYUPR-QMMMGPOBSA-N -1 0 294.271 -1.355 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001611291421 970979052 /nfs/dbraw/zinc/97/90/52/970979052.db2.gz YPSIAMFLDAKIRB-SVRRBLITSA-N -1 0 253.214 -1.033 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001602675259 971246659 /nfs/dbraw/zinc/24/66/59/971246659.db2.gz OHYHTSKUASBGNH-SVRRBLITSA-N -1 0 268.225 -1.103 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001602675258 971246836 /nfs/dbraw/zinc/24/68/36/971246836.db2.gz OHYHTSKUASBGNH-POYBYMJQSA-N -1 0 268.225 -1.103 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)OC ZINC001602675260 971246932 /nfs/dbraw/zinc/24/69/32/971246932.db2.gz OHYHTSKUASBGNH-XPUUQOCRSA-N -1 0 268.225 -1.103 20 30 CAEDRM C#CC[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001602675345 971247871 /nfs/dbraw/zinc/24/78/71/971247871.db2.gz RKQWMURAEIVVCB-UWVGGRQHSA-N -1 0 298.295 -1.547 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)NC ZINC001602682116 971265720 /nfs/dbraw/zinc/26/57/20/971265720.db2.gz GQCACCGVNKXDHQ-UHFFFAOYSA-N -1 0 263.275 -2.413 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1OCCN(C)C1=O ZINC001602682678 971269551 /nfs/dbraw/zinc/26/95/51/971269551.db2.gz TWQZBFFXUAZIIE-VIFPVBQESA-N -1 0 254.242 -1.610 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1CCOCC1=O ZINC001602683116 971271654 /nfs/dbraw/zinc/27/16/54/971271654.db2.gz ZJMUYDWTGFBDFU-UHFFFAOYSA-N -1 0 254.242 -1.608 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001602692299 971301977 /nfs/dbraw/zinc/30/19/77/971301977.db2.gz KOGODBPGGKKFRZ-UHFFFAOYSA-N -1 0 297.292 -1.111 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)N[C@H](C)C(=O)N(C)C ZINC001602695705 971311613 /nfs/dbraw/zinc/31/16/13/971311613.db2.gz QLMBUGSHMPNYFX-SECBINFHSA-N -1 0 269.301 -1.401 20 30 CAEDRM C#CCN(CC(=O)[O-])Cc1cn(CC(N)=O)nn1 ZINC001602699160 971315951 /nfs/dbraw/zinc/31/59/51/971315951.db2.gz LUGJANRWOFLYNK-UHFFFAOYSA-N -1 0 251.246 -1.717 20 30 CAEDRM C#CCNS(=O)(=O)N1CCN(CCC(=O)[O-])CC1 ZINC001602702159 971329832 /nfs/dbraw/zinc/32/98/32/971329832.db2.gz KBLXWHIMSQFGLY-UHFFFAOYSA-N -1 0 275.330 -1.454 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCN(C)C1=O ZINC001602701095 971326562 /nfs/dbraw/zinc/32/65/62/971326562.db2.gz VVOYRLUMQWXZIJ-QMMMGPOBSA-N -1 0 278.272 -1.400 20 30 CAEDRM C=C[C@@](C)(O)C(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001602717560 971369495 /nfs/dbraw/zinc/36/94/95/971369495.db2.gz RIMXZTQYABIRAE-LLVKDONJSA-N -1 0 256.258 -1.321 20 30 CAEDRM CC#CCn1nnnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001602735053 971415818 /nfs/dbraw/zinc/41/58/18/971415818.db2.gz MDIJVGNIIYRBSG-QMMMGPOBSA-N -1 0 251.246 -1.014 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000092477271 949146967 /nfs/dbraw/zinc/14/69/67/949146967.db2.gz KHJONNWJUCOISF-MRVPVSSYSA-N -1 0 259.283 -1.033 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1ccc(=O)n(C)c1=O ZINC000092477901 949147667 /nfs/dbraw/zinc/14/76/67/949147667.db2.gz QMWPWGPPFGHIHT-UHFFFAOYSA-N -1 0 279.252 -1.907 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC000092479013 949149037 /nfs/dbraw/zinc/14/90/37/949149037.db2.gz LPRAEEFCPOFFJU-UHFFFAOYSA-N -1 0 293.279 -1.149 20 30 CAEDRM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCN(O)C2=O)CCCO1 ZINC001595280189 949972223 /nfs/dbraw/zinc/97/22/23/949972223.db2.gz RTEMRUCNPJQLRR-LDWIPMOCSA-N -1 0 258.230 -1.274 20 30 CAEDRM CCNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001589908628 950715229 /nfs/dbraw/zinc/71/52/29/950715229.db2.gz HAWJITUEJXTNLS-UHFFFAOYSA-N -1 0 280.240 -1.898 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000394099387 951447158 /nfs/dbraw/zinc/44/71/58/951447158.db2.gz RFMUNNSYDGXQMB-NSHDSACASA-N -1 0 256.302 -1.301 20 30 CAEDRM O=C([O-])CN1CCC[C@@H](C(=O)NCC#CCO)C1=O ZINC001595082978 951704075 /nfs/dbraw/zinc/70/40/75/951704075.db2.gz IQFNMXOZGBZUTI-VIFPVBQESA-N -1 0 268.269 -1.579 20 30 CAEDRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001593731658 954321123 /nfs/dbraw/zinc/32/11/23/954321123.db2.gz RJUVIKJEBVRIDX-MRVPVSSYSA-N -1 0 269.257 -1.330 20 30 CAEDRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001593731659 954321184 /nfs/dbraw/zinc/32/11/84/954321184.db2.gz RJUVIKJEBVRIDX-QMMMGPOBSA-N -1 0 269.257 -1.330 20 30 CAEDRM CN(CCNS(C)(=O)=O)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593750628 954402892 /nfs/dbraw/zinc/40/28/92/954402892.db2.gz DORWQGHIOZOKET-SNVBAGLBSA-N -1 0 291.329 -1.001 20 30 CAEDRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC001594894120 954556021 /nfs/dbraw/zinc/55/60/21/954556021.db2.gz ZDCVXUWVRSNJTP-XINAWCOVSA-N -1 0 257.202 -1.678 20 30 CAEDRM O=C([O-])C1=NO[C@@H](C(=O)N[C@H]2CCN(O)C2=O)C1 ZINC001594894117 954556218 /nfs/dbraw/zinc/55/62/18/954556218.db2.gz ZDCVXUWVRSNJTP-UJURSFKZSA-N -1 0 257.202 -1.678 20 30 CAEDRM O=C([O-])C1=NO[C@H](C(=O)N[C@H]2CCN(O)C2=O)C1 ZINC001594894116 954556284 /nfs/dbraw/zinc/55/62/84/954556284.db2.gz ZDCVXUWVRSNJTP-NJGYIYPDSA-N -1 0 257.202 -1.678 20 30 CAEDRM C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)C(=O)[O-] ZINC001589036599 955552554 /nfs/dbraw/zinc/55/25/54/955552554.db2.gz CJKPDZNXEBGUKS-VIFPVBQESA-N -1 0 296.327 -1.073 20 30 CAEDRM CC(C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001603068187 972132052 /nfs/dbraw/zinc/13/20/52/972132052.db2.gz IVWYSBBECMTPCY-UHFFFAOYSA-N -1 0 294.267 -1.509 20 30 CAEDRM N#C[C@]1(F)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001594601367 956134051 /nfs/dbraw/zinc/13/40/51/956134051.db2.gz BETXBGORBNSQCF-QPUJVOFHSA-N -1 0 299.258 -1.237 20 30 CAEDRM N#C[C@@H](CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594602073 956141778 /nfs/dbraw/zinc/14/17/78/956141778.db2.gz UDHYZWGQRGZTAZ-JGVFFNPUSA-N -1 0 269.257 -1.690 20 30 CAEDRM N#C[C@H](CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594602069 956141843 /nfs/dbraw/zinc/14/18/43/956141843.db2.gz UDHYZWGQRGZTAZ-HTQZYQBOSA-N -1 0 269.257 -1.690 20 30 CAEDRM N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC001594605332 956164289 /nfs/dbraw/zinc/16/42/89/956164289.db2.gz BKFRCIKCHFXMDX-BDAKNGLRSA-N -1 0 281.268 -1.330 20 30 CAEDRM N#C[C@H]1CN(C(=O)C(=O)NCCC(=O)[O-])CCN1C1CC1 ZINC001594605796 956172270 /nfs/dbraw/zinc/17/22/70/956172270.db2.gz KAXPOXFOUYMMQV-JTQLQIEISA-N -1 0 294.311 -1.224 20 30 CAEDRM N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)CCO1 ZINC001594606235 956180280 /nfs/dbraw/zinc/18/02/80/956180280.db2.gz SQDSYJITRSYEAL-DTWKUNHWSA-N -1 0 289.313 -1.138 20 30 CAEDRM N#C[C@@H]1COCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594606503 956183553 /nfs/dbraw/zinc/18/35/53/956183553.db2.gz YOKXDTQLKICWLD-BDAKNGLRSA-N -1 0 253.258 -1.104 20 30 CAEDRM N#C[C@H]1COCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594606507 956183935 /nfs/dbraw/zinc/18/39/35/956183935.db2.gz YOKXDTQLKICWLD-IUCAKERBSA-N -1 0 253.258 -1.104 20 30 CAEDRM N#C[C@@H]1COCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001594606509 956184092 /nfs/dbraw/zinc/18/40/92/956184092.db2.gz YOKXDTQLKICWLD-RKDXNWHRSA-N -1 0 253.258 -1.104 20 30 CAEDRM N#CCNC(=O)CNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594609670 956193314 /nfs/dbraw/zinc/19/33/14/956193314.db2.gz GIGBQEAMEOPHPB-ZETCQYMHSA-N -1 0 254.246 -1.258 20 30 CAEDRM N#CCNC(=O)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594609701 956194032 /nfs/dbraw/zinc/19/40/32/956194032.db2.gz IBNXVIPPIZFSQK-UFBFGSQYSA-N -1 0 296.283 -1.631 20 30 CAEDRM N#CCNC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594610018 956198538 /nfs/dbraw/zinc/19/85/38/956198538.db2.gz OWTYQVWMYXHADR-ZETCQYMHSA-N -1 0 275.286 -2.190 20 30 CAEDRM N#CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594610017 956198701 /nfs/dbraw/zinc/19/87/01/956198701.db2.gz OWTYQVWMYXHADR-SSDOTTSWSA-N -1 0 275.286 -2.190 20 30 CAEDRM N#CCNC(=O)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594610243 956201580 /nfs/dbraw/zinc/20/15/80/956201580.db2.gz UCPHLQLZEZMQJX-KNVOCYPGSA-N -1 0 254.246 -1.211 20 30 CAEDRM C[C@@H](O)CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001589152942 956341731 /nfs/dbraw/zinc/34/17/31/956341731.db2.gz UFWYCDUSTSGEGO-SSDOTTSWSA-N -1 0 267.241 -1.263 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC2(CO)COC2)c1=O ZINC001594632968 956354890 /nfs/dbraw/zinc/35/48/90/956354890.db2.gz IZLSPQCAVRAKNJ-UHFFFAOYSA-N -1 0 295.251 -2.025 20 30 CAEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CCn2cncn2)c1=O ZINC001594633491 956359269 /nfs/dbraw/zinc/35/92/69/956359269.db2.gz TUVQVAZEBRJKGM-UHFFFAOYSA-N -1 0 290.239 -1.742 20 30 CAEDRM COC[C@]1(C(=O)[O-])CN(C(=O)NCC#CCO)CCO1 ZINC001593971022 956616335 /nfs/dbraw/zinc/61/63/35/956616335.db2.gz NJGWOTZOWUDYQK-LBPRGKRZSA-N -1 0 286.284 -1.506 20 30 CAEDRM COCCC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001593990075 956829895 /nfs/dbraw/zinc/82/98/95/956829895.db2.gz SHKIGUPZKIQOSH-UHFFFAOYSA-N -1 0 295.251 -1.428 20 30 CAEDRM C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001603133749 972224219 /nfs/dbraw/zinc/22/42/19/972224219.db2.gz WEUVYZOKUDYHBH-JGVFFNPUSA-N -1 0 277.302 -1.092 20 30 CAEDRM O=C([O-])c1cc(C(=O)N[C@H]2CCN(O)C2=O)[nH]n1 ZINC001594734579 957058421 /nfs/dbraw/zinc/05/84/21/957058421.db2.gz DDHZRBJPGDSLRC-BYPYZUCNSA-N -1 0 254.202 -1.172 20 30 CAEDRM C[C@H](CN(C)C(=O)C(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001603144624 972240253 /nfs/dbraw/zinc/24/02/53/972240253.db2.gz CUKDZIGJMWDBNK-RKDXNWHRSA-N -1 0 283.284 -1.084 20 30 CAEDRM N#CCCNC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000071248413 957713286 /nfs/dbraw/zinc/71/32/86/957713286.db2.gz JCZSGIBEFIVILK-MRVPVSSYSA-N -1 0 268.273 -1.709 20 30 CAEDRM C#CC1(O)CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588385812 957973442 /nfs/dbraw/zinc/97/34/42/957973442.db2.gz JOEOPQRHNASJQF-UHFFFAOYSA-N -1 0 276.248 -1.247 20 30 CAEDRM C#C[C@H](CO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588388363 957993379 /nfs/dbraw/zinc/99/33/79/957993379.db2.gz SFBNRROGRHNJHN-MRVPVSSYSA-N -1 0 289.309 -1.624 20 30 CAEDRM C#C[C@@H](CO)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588388371 957993735 /nfs/dbraw/zinc/99/37/35/957993735.db2.gz SFBNRROGRHNJHN-QMMMGPOBSA-N -1 0 289.309 -1.624 20 30 CAEDRM C#CC[C@H](CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588388527 957994793 /nfs/dbraw/zinc/99/47/93/957994793.db2.gz BWGNEWJVJGWAKQ-ZJUUUORDSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001588388525 957995211 /nfs/dbraw/zinc/99/52/11/957995211.db2.gz BWGNEWJVJGWAKQ-UWVGGRQHSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588389389 958007282 /nfs/dbraw/zinc/00/72/82/958007282.db2.gz UFCOQVVRJKBGKW-ZJUUUORDSA-N -1 0 296.279 -1.841 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001588389388 958007766 /nfs/dbraw/zinc/00/77/66/958007766.db2.gz UFCOQVVRJKBGKW-VHSXEESVSA-N -1 0 296.279 -1.841 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588389387 958007919 /nfs/dbraw/zinc/00/79/19/958007919.db2.gz UFCOQVVRJKBGKW-UWVGGRQHSA-N -1 0 296.279 -1.841 20 30 CAEDRM C#CCC[C@@H](O)CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001588392136 958030706 /nfs/dbraw/zinc/03/07/06/958030706.db2.gz SZGCEPNKLQTVAF-MRVPVSSYSA-N -1 0 266.257 -1.133 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cn(C)nn1 ZINC001588397327 958054860 /nfs/dbraw/zinc/05/48/60/958054860.db2.gz DSEKYEWRCLFTKN-UHFFFAOYSA-N -1 0 265.229 -1.700 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)NS(C)(=O)=O ZINC001588397372 958056060 /nfs/dbraw/zinc/05/60/60/958056060.db2.gz GILVIPUUMSJWLB-UHFFFAOYSA-N -1 0 276.314 -1.139 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC001588397653 958060087 /nfs/dbraw/zinc/06/00/87/958060087.db2.gz PKAXOFWNOJFSJI-KWQFWETISA-N -1 0 282.296 -1.192 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cncnc1 ZINC001588397613 958060596 /nfs/dbraw/zinc/06/05/96/958060596.db2.gz NQASPSIFKHWRIB-UHFFFAOYSA-N -1 0 262.225 -1.039 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001588400095 958078227 /nfs/dbraw/zinc/07/82/27/958078227.db2.gz RGQBCKMKWTVURA-GHMZBOCLSA-N -1 0 265.313 -1.079 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC001588400479 958082105 /nfs/dbraw/zinc/08/21/05/958082105.db2.gz YNMOMSSAQCDINC-MRVPVSSYSA-N -1 0 277.284 -1.243 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001588400463 958083130 /nfs/dbraw/zinc/08/31/30/958083130.db2.gz YIJQHECZQUFNCP-LLVKDONJSA-N -1 0 265.313 -1.077 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1CC(=O)N(C)C1=O ZINC001588401716 958083970 /nfs/dbraw/zinc/08/39/70/958083970.db2.gz BCLDFCPUNATLPZ-UHFFFAOYSA-N -1 0 267.241 -1.573 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CCNS(C)(=O)=O ZINC001588401703 958084010 /nfs/dbraw/zinc/08/40/10/958084010.db2.gz AVHCLJFYGVMHQC-UHFFFAOYSA-N -1 0 262.287 -1.528 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CCC(=O)NCCNC(C)=O ZINC001588401944 958085282 /nfs/dbraw/zinc/08/52/82/958085282.db2.gz GSHNWAIOGRTXSV-UHFFFAOYSA-N -1 0 297.311 -1.435 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)CN1CCNC(=O)C1 ZINC001588402289 958090473 /nfs/dbraw/zinc/09/04/73/958090473.db2.gz PWIZEMMRAVFZEZ-UHFFFAOYSA-N -1 0 253.258 -2.035 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)Cn1cc([C@@H](C)O)nn1 ZINC001588407835 958103085 /nfs/dbraw/zinc/10/30/85/958103085.db2.gz WYWGWXBJDSZCAJ-MRVPVSSYSA-N -1 0 266.257 -1.122 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC001588411394 958149452 /nfs/dbraw/zinc/14/94/52/958149452.db2.gz YRHMPIOJISJXCM-OCAPTIKFSA-N -1 0 253.258 -1.020 20 30 CAEDRM C#CCN(CC(=O)[O-])CC(=O)NC(=O)N[C@@H](C)COC ZINC001588420275 958203370 /nfs/dbraw/zinc/20/33/70/958203370.db2.gz SXRTUWGPXYXIHJ-VIFPVBQESA-N -1 0 285.300 -1.133 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@H](O)C1(O)CCOCC1 ZINC001588424847 958220556 /nfs/dbraw/zinc/22/05/56/958220556.db2.gz YTLJEMQHKCMQOX-JTQLQIEISA-N -1 0 257.286 -1.091 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001588425031 958220867 /nfs/dbraw/zinc/22/08/67/958220867.db2.gz CVRVUBFLCBRJKW-SECBINFHSA-N -1 0 288.325 -1.043 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC001588425040 958221142 /nfs/dbraw/zinc/22/11/42/958221142.db2.gz CVRVUBFLCBRJKW-VIFPVBQESA-N -1 0 288.325 -1.043 20 30 CAEDRM C#CCN(CC(=O)[O-])C[C@@H](O)C1(O)CCOCC1 ZINC001588424848 958221159 /nfs/dbraw/zinc/22/11/59/958221159.db2.gz YTLJEMQHKCMQOX-SNVBAGLBSA-N -1 0 257.286 -1.091 20 30 CAEDRM C#CCN(CC(=O)[O-])Cc1nc(CC(=O)NC)no1 ZINC001588425154 958223522 /nfs/dbraw/zinc/22/35/22/958223522.db2.gz GJFSDHYMNPJDJO-UHFFFAOYSA-N -1 0 266.257 -1.122 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1CC(=O)N(C)C ZINC001588427160 958240980 /nfs/dbraw/zinc/24/09/80/958240980.db2.gz OVPJEJRRLZFGNU-UHFFFAOYSA-N -1 0 266.261 -1.715 20 30 CAEDRM C#CCN(CC(=O)[O-])c1nnnn1Cc1ccn(C)n1 ZINC001588427355 958245059 /nfs/dbraw/zinc/24/50/59/958245059.db2.gz UZSOLWLIUISLET-UHFFFAOYSA-N -1 0 275.272 -1.021 20 30 CAEDRM C#CCOCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588430296 958251926 /nfs/dbraw/zinc/25/19/26/958251926.db2.gz AFYCIZZJXAOELZ-SECBINFHSA-N -1 0 289.309 -1.264 20 30 CAEDRM N#C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)CCO1 ZINC000093937299 958258952 /nfs/dbraw/zinc/25/89/52/958258952.db2.gz WGMNVDIASHNCDA-MRVPVSSYSA-N -1 0 294.271 -1.090 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001588431171 958266642 /nfs/dbraw/zinc/26/66/42/958266642.db2.gz KRRVJKMUYBWCKM-VIFPVBQESA-N -1 0 284.268 -1.936 20 30 CAEDRM C#CCOCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588431754 958274251 /nfs/dbraw/zinc/27/42/51/958274251.db2.gz WHBQLXZRLRLBGQ-KYZUINATSA-N -1 0 268.269 -1.268 20 30 CAEDRM C=C(C)Cn1nnnc1N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588444494 958361189 /nfs/dbraw/zinc/36/11/89/958361189.db2.gz FLCNYPVYMKSUEO-UHFFFAOYSA-N -1 0 280.288 -1.018 20 30 CAEDRM C=C[C@@H](O)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001588452166 958418941 /nfs/dbraw/zinc/41/89/41/958418941.db2.gz KLUAOAMFDGIMSN-LDYMZIIASA-N -1 0 259.258 -1.138 20 30 CAEDRM C=C[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588453281 958434879 /nfs/dbraw/zinc/43/48/79/958434879.db2.gz WNIZOFNFAGAWTN-RQJHMYQMSA-N -1 0 263.271 -1.757 20 30 CAEDRM C=C[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001588453278 958435117 /nfs/dbraw/zinc/43/51/17/958435117.db2.gz WNIZOFNFAGAWTN-NKWVEPMBSA-N -1 0 263.271 -1.757 20 30 CAEDRM C=C[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588453280 958435288 /nfs/dbraw/zinc/43/52/88/958435288.db2.gz WNIZOFNFAGAWTN-RNFRBKRXSA-N -1 0 263.271 -1.757 20 30 CAEDRM C=CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001588465396 958502203 /nfs/dbraw/zinc/50/22/03/958502203.db2.gz IANAYJZNIPCRBJ-MRVPVSSYSA-N -1 0 276.314 -1.528 20 30 CAEDRM C=CCNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001588465533 958505475 /nfs/dbraw/zinc/50/54/75/958505475.db2.gz RJRXBNVLLDBJAJ-UHFFFAOYSA-N -1 0 292.251 -1.732 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001573359842 958587989 /nfs/dbraw/zinc/58/79/89/958587989.db2.gz KOHFQBVREQTWMR-LLVKDONJSA-N -1 0 283.284 -1.170 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001573359848 958588080 /nfs/dbraw/zinc/58/80/80/958588080.db2.gz KRHIHUYJCJEKOC-SOCHQFKDSA-N -1 0 256.258 -1.197 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000132195462 958774096 /nfs/dbraw/zinc/77/40/96/958774096.db2.gz AYTPLHSLVMHIEE-JGVFFNPUSA-N -1 0 271.273 -1.482 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001588536817 958935928 /nfs/dbraw/zinc/93/59/28/958935928.db2.gz ZSBBZSOAAROFBX-JTQLQIEISA-N -1 0 289.313 -1.249 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCC#N ZINC001588539068 958950908 /nfs/dbraw/zinc/95/09/08/958950908.db2.gz WFFAMEBXTWNNBB-SNVBAGLBSA-N -1 0 252.230 -1.253 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NN1CCS(=O)(=O)CC1 ZINC001588541950 958967747 /nfs/dbraw/zinc/96/77/47/958967747.db2.gz OSIYTOWCWMSUNN-SNVBAGLBSA-N -1 0 289.313 -1.247 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)[O-] ZINC000149708490 959024370 /nfs/dbraw/zinc/02/43/70/959024370.db2.gz OWNSMHIBOICINY-MRVPVSSYSA-N -1 0 279.252 -1.860 20 30 CAEDRM C#CC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)[O-] ZINC000149912519 959030310 /nfs/dbraw/zinc/03/03/10/959030310.db2.gz HMQWMLZXFQYJHZ-ZETCQYMHSA-N -1 0 267.241 -1.527 20 30 CAEDRM CC(C)[C@H](O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001573498208 959037847 /nfs/dbraw/zinc/03/78/47/959037847.db2.gz CRLBAXNABIUWIX-SECBINFHSA-N -1 0 281.268 -1.017 20 30 CAEDRM C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])n1cnc(C#N)n1 ZINC001588553068 959039695 /nfs/dbraw/zinc/03/96/95/959039695.db2.gz BZGZPRZRSALEAA-LHLIQPBNSA-N -1 0 267.245 -1.337 20 30 CAEDRM CC(C)[C@@H](O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001573498243 959039821 /nfs/dbraw/zinc/03/98/21/959039821.db2.gz CRLBAXNABIUWIX-VIFPVBQESA-N -1 0 281.268 -1.017 20 30 CAEDRM C#CC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000161684638 959190324 /nfs/dbraw/zinc/19/03/24/959190324.db2.gz VJLJEFVPVBHNFY-QMMMGPOBSA-N -1 0 274.298 -1.097 20 30 CAEDRM C#CC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)[O-] ZINC000161684776 959190577 /nfs/dbraw/zinc/19/05/77/959190577.db2.gz VJLJEFVPVBHNFY-MRVPVSSYSA-N -1 0 274.298 -1.097 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000229087277 960056779 /nfs/dbraw/zinc/05/67/79/960056779.db2.gz AYTPLHSLVMHIEE-YUMQZZPRSA-N -1 0 271.273 -1.482 20 30 CAEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001571040459 960564118 /nfs/dbraw/zinc/56/41/18/960564118.db2.gz GHBYFMRWRKSSPX-MRVPVSSYSA-N -1 0 291.329 -1.156 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571040937 960570253 /nfs/dbraw/zinc/57/02/53/960570253.db2.gz SCRGRTHHULOXSU-WPRPVWTQSA-N -1 0 291.329 -1.013 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001571040935 960571318 /nfs/dbraw/zinc/57/13/18/960571318.db2.gz SCRGRTHHULOXSU-SCZZXKLOSA-N -1 0 291.329 -1.013 20 30 CAEDRM CCN(CCC#N)C(=O)CN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001571057532 960743291 /nfs/dbraw/zinc/74/32/91/960743291.db2.gz GHTIKKLZZXNOIN-SNVBAGLBSA-N -1 0 296.327 -1.024 20 30 CAEDRM N#C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO1 ZINC001571066248 960831233 /nfs/dbraw/zinc/83/12/33/960831233.db2.gz HYGMMIVTJFCZBT-SECBINFHSA-N -1 0 298.299 -1.099 20 30 CAEDRM Cn1nc(C(=O)[O-])cc1C(=O)NCC(=O)NCC#N ZINC001574464838 961560929 /nfs/dbraw/zinc/56/09/29/961560929.db2.gz CFIMHJLYMIFZSD-UHFFFAOYSA-N -1 0 265.229 -1.512 20 30 CAEDRM N#CC[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001574479503 961650982 /nfs/dbraw/zinc/65/09/82/961650982.db2.gz ITJIFYAVVYUUGC-HTQZYQBOSA-N -1 0 262.287 -1.555 20 30 CAEDRM N#C[C@H]1C[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001574479608 961652393 /nfs/dbraw/zinc/65/23/93/961652393.db2.gz LIAFXSCAWKJOGN-PRJMDXOYSA-N -1 0 272.282 -1.144 20 30 CAEDRM N#CCNC(=O)CNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001574480167 961658949 /nfs/dbraw/zinc/65/89/49/961658949.db2.gz CCOGDNXNDCOFJT-SNVBAGLBSA-N -1 0 255.230 -1.624 20 30 CAEDRM N#Cc1ncn(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1 ZINC001574494067 961724711 /nfs/dbraw/zinc/72/47/11/961724711.db2.gz VFERCEIQKWDZKR-UFBFGSQYSA-N -1 0 291.267 -1.291 20 30 CAEDRM CCOC(=O)CON=C(C(=O)NCC(=O)[O-])c1cc[nH]n1 ZINC001574511856 961801162 /nfs/dbraw/zinc/80/11/62/961801162.db2.gz VYCSJAIMDMRPCN-UHFFFAOYSA-N -1 0 298.255 -1.106 20 30 CAEDRM CN(CCS(N)(=O)=O)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001574013982 961933465 /nfs/dbraw/zinc/93/34/65/961933465.db2.gz MCRYZQLPPVOXII-SECBINFHSA-N -1 0 277.302 -1.262 20 30 CAEDRM CN(CCS(N)(=O)=O)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001574013987 961933726 /nfs/dbraw/zinc/93/37/26/961933726.db2.gz MCRYZQLPPVOXII-VIFPVBQESA-N -1 0 277.302 -1.262 20 30 CAEDRM CO[C@H](C(=O)[O-])C(=O)NCCn1cnc(C#N)n1 ZINC001574106652 962445683 /nfs/dbraw/zinc/44/56/83/962445683.db2.gz WYEZCQSYBMWFTC-ZETCQYMHSA-N -1 0 253.218 -1.634 20 30 CAEDRM C#CC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001573302674 962658597 /nfs/dbraw/zinc/65/85/97/962658597.db2.gz OVHICIIIZBADSR-BIIVOSGPSA-N -1 0 254.242 -1.388 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[O-] ZINC001573302680 962658960 /nfs/dbraw/zinc/65/89/60/962658960.db2.gz OVHICIIIZBADSR-GJMOJQLCSA-N -1 0 254.242 -1.388 20 30 CAEDRM C#CC[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)[O-] ZINC001573302991 962668777 /nfs/dbraw/zinc/66/87/77/962668777.db2.gz SVVQMQZWSOJCHV-RITPCOANSA-N -1 0 253.214 -1.823 20 30 CAEDRM C#CCO[C@H](C)C(=O)N1CC(N(C)C(=O)CNC(=O)[O-])C1 ZINC001573310793 962691208 /nfs/dbraw/zinc/69/12/08/962691208.db2.gz CSWZEWHBTYFQPA-SECBINFHSA-N -1 0 297.311 -1.039 20 30 CAEDRM C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CNC(=O)[O-])C1 ZINC001573311072 962695722 /nfs/dbraw/zinc/69/57/22/962695722.db2.gz HJXNOECSHZNMJL-SNVBAGLBSA-N -1 0 296.327 -1.464 20 30 CAEDRM C#CCN1CC2(C1)C[C@H](NC(=O)CNC(=O)[O-])CO2 ZINC001573311239 962697643 /nfs/dbraw/zinc/69/76/43/962697643.db2.gz KIYVFZIEVQDMEN-VIFPVBQESA-N -1 0 267.285 -1.153 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588988064 962773079 /nfs/dbraw/zinc/77/30/79/962773079.db2.gz RJLKGVGIPCSPSR-CBAPKCEASA-N -1 0 279.318 -1.110 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@](C)(O)C(=O)[O-] ZINC001588988066 962773296 /nfs/dbraw/zinc/77/32/96/962773296.db2.gz RJLKGVGIPCSPSR-VXNVDRBHSA-N -1 0 279.318 -1.110 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001588988063 962773720 /nfs/dbraw/zinc/77/37/20/962773720.db2.gz RJLKGVGIPCSPSR-APPZFPTMSA-N -1 0 279.318 -1.110 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC001573332968 962847572 /nfs/dbraw/zinc/84/75/72/962847572.db2.gz UTUWHCNIRYTOJE-SFYZADRCSA-N -1 0 256.258 -1.146 20 30 CAEDRM C=C[C@](C)(O)CC(=O)NCCNC(=O)CNC(=O)[O-] ZINC001573348708 962960810 /nfs/dbraw/zinc/96/08/10/962960810.db2.gz ZVMUYZUSQVXRNP-NSHDSACASA-N -1 0 273.289 -1.187 20 30 CAEDRM C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)CNC(=O)[O-])C1 ZINC001573368816 963086542 /nfs/dbraw/zinc/08/65/42/963086542.db2.gz SAOOYJOSEPHJIT-SECBINFHSA-N -1 0 298.343 -1.007 20 30 CAEDRM C=CCNC(=O)CN1CC(NC(=O)CNC(=O)[O-])C1 ZINC001573369001 963089868 /nfs/dbraw/zinc/08/98/68/963089868.db2.gz SVQXWUVSWRZAGC-UHFFFAOYSA-N -1 0 270.289 -1.643 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@H]1COC(=O)N1)C(=O)[O-] ZINC001573369420 963097343 /nfs/dbraw/zinc/09/73/43/963097343.db2.gz SRAQIKMXHNEWDP-RNFRBKRXSA-N -1 0 258.230 -1.133 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CCn1cnnn1)C(=O)[O-] ZINC001573369769 963101404 /nfs/dbraw/zinc/10/14/04/963101404.db2.gz ZVPKRVAHZJLMBZ-MRVPVSSYSA-N -1 0 269.261 -1.165 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)N[C@](C)(CO)C(=O)[O-] ZINC001571010568 963285240 /nfs/dbraw/zinc/28/52/40/963285240.db2.gz XWCXCLNRIBVWDQ-SECBINFHSA-N -1 0 279.318 -1.108 20 30 CAEDRM C#CCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001588448083 964092736 /nfs/dbraw/zinc/09/27/36/964092736.db2.gz WXZLWHOBZQGPDZ-NXEZZACHSA-N -1 0 266.297 -1.107 20 30 CAEDRM C#CCCN1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001588448091 964093622 /nfs/dbraw/zinc/09/36/22/964093622.db2.gz WXZLWHOBZQGPDZ-VHSXEESVSA-N -1 0 266.297 -1.107 20 30 CAEDRM N#C[C@H]1CN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CCO1 ZINC000230761743 967733271 /nfs/dbraw/zinc/73/32/71/967733271.db2.gz YPVGOIQBBZUNFF-POYBYMJQSA-N -1 0 253.214 -1.033 20 30 CAEDRM C#CCN(CC(=O)[O-])C(=O)NCC(=O)N1CCOCC1 ZINC000379825581 968075290 /nfs/dbraw/zinc/07/52/90/968075290.db2.gz UEGBBBOTCJDQDW-UHFFFAOYSA-N -1 0 283.284 -1.425 20 30 CAEDRM O=C([O-])C1(C(=O)N[C@@H]2CCN(O)C2=O)CCOCC1 ZINC001574824989 969877479 /nfs/dbraw/zinc/87/74/79/969877479.db2.gz IUIFOKCFKQPXPT-SSDOTTSWSA-N -1 0 272.257 -1.026 20 30 CAEDRM Cc1nn(CC(=O)NCC(=O)[O-])c(=O)c(C#N)c1C ZINC001608004113 970399570 /nfs/dbraw/zinc/39/95/70/970399570.db2.gz QAXJCTDGYWAWKI-UHFFFAOYSA-N -1 0 264.241 -1.067 20 30 CAEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)C(=O)[O-])CC1 ZINC001609623932 970424567 /nfs/dbraw/zinc/42/45/67/970424567.db2.gz NTOOABDGIIVPCG-LLVKDONJSA-N -1 0 295.339 -1.009 20 30 CAEDRM CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001604134349 972547329 /nfs/dbraw/zinc/54/73/29/972547329.db2.gz YEGGDXBPKJNTGR-GFCCVEGCSA-N -1 0 283.284 -1.203 20 30 CAEDRM CNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001604240699 972760745 /nfs/dbraw/zinc/76/07/45/972760745.db2.gz LLSVOENJFBCTEX-UHFFFAOYSA-N -1 0 266.213 -2.288 20 30 CAEDRM CO[C@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001604432973 973223193 /nfs/dbraw/zinc/22/31/93/973223193.db2.gz WZIKFKKBCKPFPC-WKMLFNHBSA-N -1 0 297.267 -1.271 20 30 CAEDRM CO[C@@H](C(=O)[O-])C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001604432968 973223748 /nfs/dbraw/zinc/22/37/48/973223748.db2.gz WZIKFKKBCKPFPC-NCXKZPMSSA-N -1 0 297.267 -1.271 20 30 CAEDRM COC[C@]1(C(=O)[O-])CCN(C(=O)NCC(=O)NCC#N)C1 ZINC001604533405 973492010 /nfs/dbraw/zinc/49/20/10/973492010.db2.gz LTIYTWIMFSUFHE-LBPRGKRZSA-N -1 0 298.299 -1.241 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914220 973528377 /nfs/dbraw/zinc/52/83/77/973528377.db2.gz ZHUIJUZMXJJCJS-IUCAKERBSA-N -1 0 285.300 -1.234 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000401914219 973529265 /nfs/dbraw/zinc/52/92/65/973529265.db2.gz ZHUIJUZMXJJCJS-DTWKUNHWSA-N -1 0 285.300 -1.234 20 30 CAEDRM Cc1noc(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)n1 ZINC001605449701 973533499 /nfs/dbraw/zinc/53/34/99/973533499.db2.gz KNWOZIXYXSZJFE-UHFFFAOYSA-N -1 0 291.223 -1.294 20 30 CAEDRM COC[C@@]1(C(=O)[O-])CN(C(=O)C=NOC)CCO1 ZINC001604551082 973567008 /nfs/dbraw/zinc/56/70/08/973567008.db2.gz NTYIRCIICXGVQU-SNVBAGLBSA-N -1 0 260.246 -1.053 20 30 CAEDRM N#CCC1(O)CN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001605581876 973862438 /nfs/dbraw/zinc/86/24/38/973862438.db2.gz NXXSKSIAWRKZMK-MRVPVSSYSA-N -1 0 253.258 -1.368 20 30 CAEDRM N#CCNC(=O)COC(=O)c1cnc(C(=O)[O-])cn1 ZINC001605585485 973876449 /nfs/dbraw/zinc/87/64/49/973876449.db2.gz CMPNYRRHKWYXFE-UHFFFAOYSA-N -1 0 264.197 -1.029 20 30 CAEDRM N#CCNC(=O)CNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001605585912 973879423 /nfs/dbraw/zinc/87/94/23/973879423.db2.gz LSPUGRCJHXJKIZ-ZCFIWIBFSA-N -1 0 254.202 -2.028 20 30 CAEDRM N#CCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001605586480 973882042 /nfs/dbraw/zinc/88/20/42/973882042.db2.gz XPIYTPAHNGPING-UHFFFAOYSA-N -1 0 260.271 -1.094 20 30 CAEDRM N#Cc1cc(=O)n(CCS(=O)(=O)CC(=O)[O-])cn1 ZINC001605591358 973887502 /nfs/dbraw/zinc/88/75/02/973887502.db2.gz XXUPFFMLTMRXEU-UHFFFAOYSA-N -1 0 271.254 -1.386 20 30 CAEDRM N#Cc1cnn(CCOC(=O)COCC(=O)[O-])c1N ZINC001605626937 973960771 /nfs/dbraw/zinc/96/07/71/973960771.db2.gz UJAVREWOUCKUPK-UHFFFAOYSA-N -1 0 268.229 -1.019 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)NC[C@](C)(O)C(=O)[O-] ZINC001603736455 974175471 /nfs/dbraw/zinc/17/54/71/974175471.db2.gz IVSGVGONPLXJAG-VIFPVBQESA-N -1 0 279.318 -1.108 20 30 CAEDRM C[C@@H](CS(=O)(=O)N1CC(O)(CC#N)C1)C(=O)[O-] ZINC001592789059 979431529 /nfs/dbraw/zinc/43/15/29/979431529.db2.gz CVOYUMZMPWGEAO-ZETCQYMHSA-N -1 0 262.287 -1.003 20 30 CAEDRM CC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001595306982 980463321 /nfs/dbraw/zinc/46/33/21/980463321.db2.gz RUYOECVSOMOQHY-HTQZYQBOSA-N -1 0 277.302 -1.092 20 30 CAEDRM COC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001573986070 983148942 /nfs/dbraw/zinc/14/89/42/983148942.db2.gz RNSHVCXCPICTET-LURJTMIESA-N -1 0 253.218 -1.634 20 30 CAEDRM C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001588370378 983318583 /nfs/dbraw/zinc/31/85/83/983318583.db2.gz BHWCJFIWEIAFIK-YFKPBYRVSA-N -1 0 259.243 -1.620 20 30 CAEDRM C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001588382023 983368169 /nfs/dbraw/zinc/36/81/69/983368169.db2.gz DDCWSCBXIFOMKZ-UHFFFAOYSA-N -1 0 271.254 -1.524 20 30 CAEDRM C#CC1(O)CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1 ZINC001588382688 983373421 /nfs/dbraw/zinc/37/34/21/983373421.db2.gz SVHGTHVUEOTFKR-UHFFFAOYSA-N -1 0 285.281 -1.664 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588383877 983385180 /nfs/dbraw/zinc/38/51/80/983385180.db2.gz NVHHOQHURDBSJV-MRVPVSSYSA-N -1 0 264.241 -1.163 20 30 CAEDRM C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001588393292 983396969 /nfs/dbraw/zinc/39/69/69/983396969.db2.gz FIKHOAXMXBDZPL-LURJTMIESA-N -1 0 273.270 -1.230 20 30 CAEDRM C#CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC001588393644 983399200 /nfs/dbraw/zinc/39/92/00/983399200.db2.gz DOUMRTJJTXRARI-SSDOTTSWSA-N -1 0 276.314 -1.093 20 30 CAEDRM C#CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-] ZINC001588393645 983399372 /nfs/dbraw/zinc/39/93/72/983399372.db2.gz DOUMRTJJTXRARI-ZETCQYMHSA-N -1 0 276.314 -1.093 20 30 CAEDRM C#CC[C@@H](CO)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001588396402 983408396 /nfs/dbraw/zinc/40/83/96/983408396.db2.gz WECJLTOZJWEOPE-VHSXEESVSA-N -1 0 282.296 -1.190 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@@H](O)CC(=O)OCC)C(=O)[O-] ZINC001588398002 983409987 /nfs/dbraw/zinc/40/99/87/983409987.db2.gz APLURSVHHAOHLN-SFYZADRCSA-N -1 0 257.242 -1.107 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)[O-] ZINC001588398462 983412997 /nfs/dbraw/zinc/41/29/97/983412997.db2.gz JMYSFWKFNZFXMK-JEZHCXPESA-N -1 0 282.296 -1.145 20 30 CAEDRM C#CC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)[O-] ZINC001588398460 983413212 /nfs/dbraw/zinc/41/32/12/983413212.db2.gz JMYSFWKFNZFXMK-HGNGGELXSA-N -1 0 282.296 -1.145 20 30 CAEDRM C#CC[C@@H](NC(=O)C1=CCS(=O)(=O)C1)C(=O)[O-] ZINC001588399316 983415381 /nfs/dbraw/zinc/41/53/81/983415381.db2.gz UAORDSROKVDNSW-MRVPVSSYSA-N -1 0 257.267 -1.066 20 30 CAEDRM C#CC[C@H](NC(=O)CN(C)C(=O)COC)C(=O)[O-] ZINC001588404362 983417407 /nfs/dbraw/zinc/41/74/07/983417407.db2.gz AMCLEHVFGJNXKT-QMMMGPOBSA-N -1 0 256.258 -1.316 20 30 CAEDRM C#CC[C@H](NC(=O)CCn1ncn(C)c1=O)C(=O)[O-] ZINC001588404925 983419425 /nfs/dbraw/zinc/41/94/25/983419425.db2.gz IHMKBWQLFKUVMR-QMMMGPOBSA-N -1 0 266.257 -1.435 20 30 CAEDRM C#CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001588405001 983420020 /nfs/dbraw/zinc/42/00/20/983420020.db2.gz JKELNNSYNXMYOH-QMMMGPOBSA-N -1 0 279.252 -1.481 20 30 CAEDRM C#CC[C@@H](NC(=O)CN1CCN(C)CC1)C(=O)[O-] ZINC001588405469 983421720 /nfs/dbraw/zinc/42/17/20/983421720.db2.gz PHBYNQSSMFIDQQ-SNVBAGLBSA-N -1 0 253.302 -1.174 20 30 CAEDRM C#CC[C@@H](NC(=O)CNS(=O)(=O)NC)C(=O)[O-] ZINC001588405570 983422207 /nfs/dbraw/zinc/42/22/07/983422207.db2.gz RJYBTUVZPPRZIL-ZCFIWIBFSA-N -1 0 263.275 -2.367 20 30 CAEDRM C#CC[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC001588406309 983425080 /nfs/dbraw/zinc/42/50/80/983425080.db2.gz OPFKQOQNJBKDID-SNVBAGLBSA-N -1 0 297.311 -1.388 20 30 CAEDRM C#CC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C(=O)[O-] ZINC001588406305 983425118 /nfs/dbraw/zinc/42/51/18/983425118.db2.gz OPFKQOQNJBKDID-JTQLQIEISA-N -1 0 297.311 -1.388 20 30 CAEDRM C#CC[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588406659 983425899 /nfs/dbraw/zinc/42/58/99/983425899.db2.gz RZOZOMOMZCHLSX-RNFRBKRXSA-N -1 0 252.226 -1.368 20 30 CAEDRM C#CC[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C(=O)[O-] ZINC001588406654 983425914 /nfs/dbraw/zinc/42/59/14/983425914.db2.gz RZOZOMOMZCHLSX-BQBZGAKWSA-N -1 0 252.226 -1.368 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)[O-] ZINC001588406990 983426840 /nfs/dbraw/zinc/42/68/40/983426840.db2.gz CQVMVRFRDLSXKO-SFYZADRCSA-N -1 0 266.257 -1.076 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(=O)[O-] ZINC001588407550 983428572 /nfs/dbraw/zinc/42/85/72/983428572.db2.gz JXNVLRSLANHMBG-HTQZYQBOSA-N -1 0 294.271 -2.230 20 30 CAEDRM C#CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C(=O)OC ZINC001588407842 983429466 /nfs/dbraw/zinc/42/94/66/983429466.db2.gz PGBQUUVWSUTSCT-SSDOTTSWSA-N -1 0 280.240 -1.343 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)[O-] ZINC001588407884 983429523 /nfs/dbraw/zinc/42/95/23/983429523.db2.gz QNKFNJJTEYPCML-RQJHMYQMSA-N -1 0 288.281 -2.508 20 30 CAEDRM C#CC[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C(=O)[O-] ZINC001588407990 983429777 /nfs/dbraw/zinc/42/97/77/983429777.db2.gz UGNSZHGWRCPOLT-LURJTMIESA-N -1 0 265.229 -2.030 20 30 CAEDRM C#CC[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)C(=O)[O-] ZINC001588408035 983430230 /nfs/dbraw/zinc/43/02/30/983430230.db2.gz VSZWPMJNXAINHR-RQJHMYQMSA-N -1 0 256.283 -1.189 20 30 CAEDRM C#CC[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001588415642 983435193 /nfs/dbraw/zinc/43/51/93/983435193.db2.gz CDBFSRCGKFRJNF-QMMMGPOBSA-N -1 0 297.292 -1.065 20 30 CAEDRM C#CC[C@H](NC(=O)c1nc2n(n1)CCCN2)C(=O)[O-] ZINC001588422437 983446490 /nfs/dbraw/zinc/44/64/90/983446490.db2.gz YFRLLOGILIYIKT-ZETCQYMHSA-N -1 0 263.257 -1.443 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)[O-] ZINC001588423623 983453703 /nfs/dbraw/zinc/45/37/03/983453703.db2.gz MRWISAKPHRDLMS-MRVPVSSYSA-N -1 0 290.297 -1.166 20 30 CAEDRM C#CC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC001588423845 983453921 /nfs/dbraw/zinc/45/39/21/983453921.db2.gz PUROPWRIBPPALU-HTQZYQBOSA-N -1 0 276.314 -1.141 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)[O-] ZINC001588423865 983454047 /nfs/dbraw/zinc/45/40/47/983454047.db2.gz PWPLECUJRULPRO-VIFPVBQESA-N -1 0 275.330 -1.455 20 30 CAEDRM C#CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)OC ZINC001588424310 983455315 /nfs/dbraw/zinc/45/53/15/983455315.db2.gz VJHAGKBUBBAXAZ-QMMMGPOBSA-N -1 0 292.313 -1.208 20 30 CAEDRM C#CCC[C@H](O)CNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588434782 983472400 /nfs/dbraw/zinc/47/24/00/983472400.db2.gz SUOGWDZPCZVPCQ-QMMMGPOBSA-N -1 0 266.257 -1.133 20 30 CAEDRM C#CCNC(=O)CC(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001588479185 983517844 /nfs/dbraw/zinc/51/78/44/983517844.db2.gz BEVPKSXHAJKRMX-RKDXNWHRSA-N -1 0 295.295 -1.921 20 30 CAEDRM C#CCNC(=O)CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001588479183 983517879 /nfs/dbraw/zinc/51/78/79/983517879.db2.gz BEVPKSXHAJKRMX-DTWKUNHWSA-N -1 0 295.295 -1.921 20 30 CAEDRM C#CCNC(=O)[C@H](C)OC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001588479353 983519328 /nfs/dbraw/zinc/51/93/28/983519328.db2.gz KGDBMFWFAOWSFK-ZETCQYMHSA-N -1 0 280.240 -1.343 20 30 CAEDRM C#CCNC(=O)CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001588484012 983522662 /nfs/dbraw/zinc/52/26/62/983522662.db2.gz NTAIXAKGZMXBFP-SECBINFHSA-N -1 0 267.285 -1.599 20 30 CAEDRM C#CCOCCNC(=O)C(=O)NC[C@H](F)C(=O)[O-] ZINC001588491158 983535397 /nfs/dbraw/zinc/53/53/97/983535397.db2.gz FMTPXOZWJBEITD-ZETCQYMHSA-N -1 0 260.221 -1.709 20 30 CAEDRM C#Cc1ccc(C(=O)NCC(=O)NCC(=O)[O-])nc1 ZINC001588511112 983558521 /nfs/dbraw/zinc/55/85/21/983558521.db2.gz QUYDLTQCRVLKAM-UHFFFAOYSA-N -1 0 261.237 -1.007 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)CN1CCNC(=O)C1)C(=O)[O-] ZINC001588543032 983610626 /nfs/dbraw/zinc/61/06/26/983610626.db2.gz VPUPCMVYYWVJCT-SECBINFHSA-N -1 0 269.301 -1.046 20 30 CAEDRM C=C(C)C[C@H](NC(=O)CN1CCNC(=O)C1)C(=O)[O-] ZINC001588543033 983610677 /nfs/dbraw/zinc/61/06/77/983610677.db2.gz VPUPCMVYYWVJCT-VIFPVBQESA-N -1 0 269.301 -1.046 20 30 CAEDRM C=C(C)C[C@@H](NC(=O)Cn1nnc(N)n1)C(=O)[O-] ZINC001588544142 983613427 /nfs/dbraw/zinc/61/34/27/983613427.db2.gz UXMLQPZPGGETBC-ZCFIWIBFSA-N -1 0 254.250 -1.209 20 30 CAEDRM CCN(CCC#N)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001596299584 983724843 /nfs/dbraw/zinc/72/48/43/983724843.db2.gz PTFWGZANQJPVPD-UHFFFAOYSA-N -1 0 277.302 -1.402 20 30 CAEDRM C=C(CCC(=O)[O-])C(=O)NCCOCCS(N)(=O)=O ZINC001588624545 983733200 /nfs/dbraw/zinc/73/32/00/983733200.db2.gz MODZCWOWESNDRZ-UHFFFAOYSA-N -1 0 294.329 -1.171 20 30 CAEDRM C=C(CO)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588636987 983757874 /nfs/dbraw/zinc/75/78/74/983757874.db2.gz BOTQXGBHOUBRLX-JGVFFNPUSA-N -1 0 257.242 -1.133 20 30 CAEDRM C=C(CO)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588637424 983760031 /nfs/dbraw/zinc/76/00/31/983760031.db2.gz OGKVCBLQZKVEIP-UHFFFAOYSA-N -1 0 277.298 -1.317 20 30 CAEDRM C=C(CO)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001588637724 983761097 /nfs/dbraw/zinc/76/10/97/983761097.db2.gz UFZHOEOMGTXJKL-ZDUSSCGKSA-N -1 0 284.312 -1.077 20 30 CAEDRM CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596334741 983778191 /nfs/dbraw/zinc/77/81/91/983778191.db2.gz CBVQMNAIMZHUOD-VHSXEESVSA-N -1 0 296.327 -1.215 20 30 CAEDRM C=C[C@](C)(O)C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001588683401 983848280 /nfs/dbraw/zinc/84/82/80/983848280.db2.gz ZMXGAGCIJWOVPI-XCBNKYQSSA-N -1 0 254.246 -1.216 20 30 CAEDRM C=C[C@@H](O)C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001588704114 983923006 /nfs/dbraw/zinc/92/30/06/983923006.db2.gz CANUCRUSKIZRQV-SSDOTTSWSA-N -1 0 277.298 -1.319 20 30 CAEDRM C=CCCn1cc(C(=O)NCC(=O)NCC(=O)[O-])nn1 ZINC001588817225 984275314 /nfs/dbraw/zinc/27/53/14/984275314.db2.gz FSGALGLEUMXJKI-UHFFFAOYSA-N -1 0 281.272 -1.215 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001588843659 984353636 /nfs/dbraw/zinc/35/36/36/984353636.db2.gz DOPIUXYMMFQPJC-PSASIEDQSA-N -1 0 285.300 -1.092 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001588843661 984353782 /nfs/dbraw/zinc/35/37/82/984353782.db2.gz DOPIUXYMMFQPJC-WCBMZHEXSA-N -1 0 285.300 -1.092 20 30 CAEDRM C=CCNC(=O)NC(=O)CN[C@@](C)(CO)C(=O)[O-] ZINC001588844014 984354986 /nfs/dbraw/zinc/35/49/86/984354986.db2.gz MWIGPIHSISFBGL-JTQLQIEISA-N -1 0 259.262 -1.577 20 30 CAEDRM C=CCNC(=O)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001588844544 984358587 /nfs/dbraw/zinc/35/85/87/984358587.db2.gz LZBUSMMZHIZYSJ-SECBINFHSA-N -1 0 297.311 -1.272 20 30 CAEDRM C=CCNC(=O)CNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001588844953 984360963 /nfs/dbraw/zinc/36/09/63/984360963.db2.gz ZKYNALXWAAHRGH-UHFFFAOYSA-N -1 0 266.257 -1.000 20 30 CAEDRM C=CCOC[C@H](NC(=O)CN1CCNC(=O)C1)C(=O)[O-] ZINC001588853807 984386224 /nfs/dbraw/zinc/38/62/24/984386224.db2.gz IRMNHBPUEXSJOP-VIFPVBQESA-N -1 0 285.300 -1.810 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@@H]1OCCN(C)C1=O)C(=O)[O-] ZINC001588854449 984390402 /nfs/dbraw/zinc/39/04/02/984390402.db2.gz ZJGORZJJBFKACN-IUCAKERBSA-N -1 0 286.284 -1.384 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CNS(=O)(=O)CC)C(=O)[O-] ZINC001588854368 984390769 /nfs/dbraw/zinc/39/07/69/984390769.db2.gz XXYOQMYZVYWLCO-MRVPVSSYSA-N -1 0 294.329 -1.302 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)[O-] ZINC001588855351 984392164 /nfs/dbraw/zinc/39/21/64/984392164.db2.gz FKDIVKQJZUAOIY-JGVFFNPUSA-N -1 0 271.273 -1.218 20 30 CAEDRM C=CCOC[C@H](NC(=O)C1(NC(N)=O)CC1)C(=O)[O-] ZINC001588855524 984393377 /nfs/dbraw/zinc/39/33/77/984393377.db2.gz JOAXQZFSQJDEPH-ZETCQYMHSA-N -1 0 271.273 -1.041 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CS(C)(=O)=O)C(=O)[O-] ZINC001588856082 984397002 /nfs/dbraw/zinc/39/70/02/984397002.db2.gz BKNSVWFBGOSROB-SSDOTTSWSA-N -1 0 265.287 -1.197 20 30 CAEDRM C=CCOC[C@H](NC(=O)Cn1nc(C)oc1=O)C(=O)[O-] ZINC001588856091 984397092 /nfs/dbraw/zinc/39/70/92/984397092.db2.gz CFSAPQJORKRPEE-QMMMGPOBSA-N -1 0 285.256 -1.083 20 30 CAEDRM C=CCOC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001588856618 984401496 /nfs/dbraw/zinc/40/14/96/984401496.db2.gz NTANZESANOAHJO-QMMMGPOBSA-N -1 0 279.256 -1.078 20 30 CAEDRM C=CCOC[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C(=O)[O-] ZINC001588856907 984401892 /nfs/dbraw/zinc/40/18/92/984401892.db2.gz RXTCXOAEBGDSQZ-VIFPVBQESA-N -1 0 298.299 -1.338 20 30 CAEDRM C=CCOC[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C(=O)[O-] ZINC001588859891 984409083 /nfs/dbraw/zinc/40/90/83/984409083.db2.gz AKDSPDKHLOHHRR-MRVPVSSYSA-N -1 0 297.271 -1.851 20 30 CAEDRM C=CCOC[C@H](NC(=O)c1nnn(C)n1)C(=O)[O-] ZINC001588860543 984413794 /nfs/dbraw/zinc/41/37/94/984413794.db2.gz XQBIEVVDHRYNRF-LURJTMIESA-N -1 0 255.234 -1.404 20 30 CAEDRM CCOC(=O)C[C@H](O)C(=O)N(CC#N)CC(=O)[O-] ZINC001596595913 984548977 /nfs/dbraw/zinc/54/89/77/984548977.db2.gz WQWZTWJOQQMFMH-ZETCQYMHSA-N -1 0 258.230 -1.263 20 30 CAEDRM C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001588919886 984575220 /nfs/dbraw/zinc/57/52/20/984575220.db2.gz NLVUSECFQGKOJD-MRVPVSSYSA-N -1 0 296.283 -1.122 20 30 CAEDRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001599896100 984754447 /nfs/dbraw/zinc/75/44/47/984754447.db2.gz OBCXSKHUJAFJJZ-BQBZGAKWSA-N -1 0 294.271 -1.756 20 30 CAEDRM C/C(=C\Cn1c(=O)c(C#N)cn(CCO)c1=O)C(=O)[O-] ZINC001588995679 984927375 /nfs/dbraw/zinc/92/73/75/984927375.db2.gz PCHPUXREKFZYPW-KRXBUXKQSA-N -1 0 279.252 -1.095 20 30 CAEDRM CC(=NNC1=NC(=O)C(=O)N1)c1cn(CC(=O)[O-])nn1 ZINC001589016609 984996452 /nfs/dbraw/zinc/99/64/52/984996452.db2.gz CRBRSLYMHVOZIW-UHFFFAOYSA-N -1 0 279.216 -2.311 20 30 CAEDRM C[C@H]1CN(C(=O)NCC#CCO)C[C@@H](C(=O)[O-])O1 ZINC001599919281 985107681 /nfs/dbraw/zinc/10/76/81/985107681.db2.gz KGJYLZJJTALHOO-IUCAKERBSA-N -1 0 256.258 -1.134 20 30 CAEDRM CC(=O)NCCNC(=O)CCC(=O)N(CC#N)CC(=O)[O-] ZINC001589140075 985450481 /nfs/dbraw/zinc/45/04/81/985450481.db2.gz XAHMDZJBVIWACC-UHFFFAOYSA-N -1 0 298.299 -1.544 20 30 CAEDRM C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CC#N)CC(=O)[O-] ZINC001589336640 986222796 /nfs/dbraw/zinc/22/27/96/986222796.db2.gz KBOWBFQKJDKJEC-ZETCQYMHSA-N -1 0 277.302 -1.297 20 30 CAEDRM C[C@H](C(=O)N[C@H](CO)C(=O)[O-])n1cnc(C#N)n1 ZINC001589387936 986494272 /nfs/dbraw/zinc/49/42/72/986494272.db2.gz LCEMBDAWRSTDGD-PHDIDXHHSA-N -1 0 253.218 -1.728 20 30 CAEDRM C[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])n1cnc(C#N)n1 ZINC001589388137 986494355 /nfs/dbraw/zinc/49/43/55/986494355.db2.gz LCEMBDAWRSTDGD-WDSKDSINSA-N -1 0 253.218 -1.728 20 30 CAEDRM C[C@@H](C(=O)NCCOCC(=O)[O-])n1cnc(C#N)n1 ZINC001589409845 986606836 /nfs/dbraw/zinc/60/68/36/986606836.db2.gz KIDNSDTVEZHDPK-ZETCQYMHSA-N -1 0 267.245 -1.072 20 30 CAEDRM C[C@H](C(=O)NC[C@H](O)C(=O)[O-])n1cnc(C#N)n1 ZINC001589414014 986625249 /nfs/dbraw/zinc/62/52/49/986625249.db2.gz UZZSYNIYUGXISG-RITPCOANSA-N -1 0 253.218 -1.728 20 30 CAEDRM CC(C)(C)NC(=O)CNC(=O)CN(CC#N)CC(=O)[O-] ZINC001589823795 988285084 /nfs/dbraw/zinc/28/50/84/988285084.db2.gz UBTKTLMCSVQXNG-UHFFFAOYSA-N -1 0 284.316 -1.073 20 30 CAEDRM CCn1cc(C#N)c(=O)n(CC(=O)NCCC(=O)[O-])c1=O ZINC001597870372 989673300 /nfs/dbraw/zinc/67/33/00/989673300.db2.gz GWPVUSKLQWGRMI-UHFFFAOYSA-N -1 0 294.267 -1.508 20 30 CAEDRM CN(C)C(=O)Cn1cc(C(=O)N(CC#N)CC(=O)[O-])nn1 ZINC001598134011 990578525 /nfs/dbraw/zinc/57/85/25/990578525.db2.gz IJAXJJPOPUBQME-UHFFFAOYSA-N -1 0 294.271 -1.583 20 30 CAEDRM CC(C)(NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001590879072 990790192 /nfs/dbraw/zinc/79/01/92/990790192.db2.gz IAAGPGWNYYGYPO-SSDOTTSWSA-N -1 0 277.302 -1.092 20 30 CAEDRM CN(C)[S@](C)(=O)=NC(=O)CN(CC#N)CC(=O)[O-] ZINC001598282990 991168966 /nfs/dbraw/zinc/16/89/66/991168966.db2.gz RBZPEXLZPDMJSV-GOSISDBHSA-N -1 0 276.318 -1.002 20 30 CAEDRM CN(C)[S@](C)(=O)=NS(=O)(=O)N(CC#N)CC(=O)[O-] ZINC001598283520 991174632 /nfs/dbraw/zinc/17/46/32/991174632.db2.gz YLJXWWUQFMJRQR-QGZVFWFLSA-N -1 0 298.346 -1.284 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1CC(O)(C(=O)[O-])C1 ZINC001598468492 991987022 /nfs/dbraw/zinc/98/70/22/991987022.db2.gz FLIFBOXPZGSAGJ-UHFFFAOYSA-N -1 0 263.275 -1.792 20 30 CAEDRM CN(CCC#N)C(=O)CCN1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001598468538 991988392 /nfs/dbraw/zinc/98/83/92/991988392.db2.gz OSZOYDXOQZKYKD-SNVBAGLBSA-N -1 0 296.327 -1.024 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001598468985 991994315 /nfs/dbraw/zinc/99/43/15/991994315.db2.gz PBMQAUFDIWLEGW-BDAKNGLRSA-N -1 0 291.329 -1.156 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001598468989 991994479 /nfs/dbraw/zinc/99/44/79/991994479.db2.gz PBMQAUFDIWLEGW-IUCAKERBSA-N -1 0 291.329 -1.156 20 30 CAEDRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@@](O)(CC#N)C1 ZINC001598479801 992130119 /nfs/dbraw/zinc/13/01/19/992130119.db2.gz FJOPTTDUMBCKDB-JTQLQIEISA-N -1 0 291.329 -1.012 20 30 CAEDRM CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@](O)(CC#N)C1 ZINC001598479802 992129812 /nfs/dbraw/zinc/12/98/12/992129812.db2.gz FJOPTTDUMBCKDB-SNVBAGLBSA-N -1 0 291.329 -1.012 20 30 CAEDRM CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC(=O)NCC#N ZINC001598489044 992256641 /nfs/dbraw/zinc/25/66/41/992256641.db2.gz JVBHGRDXTMCKLE-RKDXNWHRSA-N -1 0 282.300 -1.605 20 30 CAEDRM CS(C)(=O)=NS(=O)(=O)N(CC#N)CC(=O)[O-] ZINC001599780591 992358751 /nfs/dbraw/zinc/35/87/51/992358751.db2.gz GYLWDGMVAZPNRM-UHFFFAOYSA-N -1 0 269.304 -1.131 20 30 CAEDRM CN1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCC#N)CC1=O ZINC001598566694 993154024 /nfs/dbraw/zinc/15/40/24/993154024.db2.gz YZKXQICLWCRMPK-QMMMGPOBSA-N -1 0 289.313 -1.153 20 30 CAEDRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NCC#N ZINC001598766585 995837998 /nfs/dbraw/zinc/83/79/98/995837998.db2.gz GEIOCNLBINQYBY-IUCAKERBSA-N -1 0 283.284 -1.036 20 30 CAEDRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(CC(=O)NCC#N)C1 ZINC001598779301 995965432 /nfs/dbraw/zinc/96/54/32/995965432.db2.gz OVTURFXLXIYCPS-RKDXNWHRSA-N -1 0 283.284 -1.036 20 30 CAEDRM COCC[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-] ZINC001599211837 997515313 /nfs/dbraw/zinc/51/53/13/997515313.db2.gz HWEVSZAHWSKRPX-SSDOTTSWSA-N -1 0 267.245 -1.244 20 30 CAEDRM CON=CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599320552 997573233 /nfs/dbraw/zinc/57/32/33/997573233.db2.gz QERHNKXALLDVEH-ZETCQYMHSA-N -1 0 257.246 -1.190 20 30 CAEDRM COCCN(CC#N)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001599230765 997849004 /nfs/dbraw/zinc/84/90/04/997849004.db2.gz AJRLJESZYSWNJD-UHFFFAOYSA-N -1 0 267.245 -1.025 20 30 CAEDRM COCC#CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001599139013 998094549 /nfs/dbraw/zinc/09/45/49/998094549.db2.gz QYHBDJZVQGYMPK-VIFPVBQESA-N -1 0 289.309 -1.264 20 30 CAEDRM COCC#CC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001599138986 998094092 /nfs/dbraw/zinc/09/40/92/998094092.db2.gz QOQZXRZQWTYDTP-DTWKUNHWSA-N -1 0 269.253 -1.032 20 30 CAEDRM COCC#CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599139314 998098859 /nfs/dbraw/zinc/09/88/59/998098859.db2.gz UNMBXQZDGPOUQI-YUMQZZPRSA-N -1 0 256.258 -1.270 20 30 CAEDRM COC[C@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])OC ZINC001599167317 998561572 /nfs/dbraw/zinc/56/15/72/998561572.db2.gz VSISFNUZRYOETA-MRVPVSSYSA-N -1 0 280.302 -1.112 20 30 CAEDRM CO[C@]1(C(=O)[O-])CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC001599070050 999326127 /nfs/dbraw/zinc/32/61/27/999326127.db2.gz JTZNUILBYVBZIL-LLVKDONJSA-N -1 0 279.256 -1.148 20 30 CAEDRM C=CCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191770709 781920324 /nfs/dbraw/zinc/92/03/24/781920324.db2.gz IERZLQZMHIDJPH-RKDXNWHRSA-N -1 0 297.315 -1.626 20 30 CAEDRM CC(C)C#CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001192761695 781953600 /nfs/dbraw/zinc/95/36/00/781953600.db2.gz MGEWKWKNNMQKHX-NXEZZACHSA-N -1 0 293.327 -1.169 20 30 CAEDRM COC(=O)[C@@H](Cc1cncn1C)[N-]S(=O)(=O)CC#N ZINC001193003095 781960762 /nfs/dbraw/zinc/96/07/62/781960762.db2.gz XCRPGWCJSSTKCR-SECBINFHSA-N -1 0 286.313 -1.053 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])o1 ZINC000287082943 372872983 /nfs/dbraw/zinc/87/29/83/372872983.db2.gz CIAKSHUECMDXNV-LURJTMIESA-N -1 0 260.227 -1.125 20 30 CAEDRM Cc1ncc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])cc1C#N ZINC000389072672 373043210 /nfs/dbraw/zinc/04/32/10/373043210.db2.gz XISYIENBPRMPFV-SECBINFHSA-N -1 0 285.281 -1.015 20 30 CAEDRM C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC000593941758 373095841 /nfs/dbraw/zinc/09/58/41/373095841.db2.gz AZIVCBQFRQIBAY-SFYZADRCSA-N -1 0 277.302 -1.234 20 30 CAEDRM C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC000593941759 373096215 /nfs/dbraw/zinc/09/62/15/373096215.db2.gz AZIVCBQFRQIBAY-YUMQZZPRSA-N -1 0 277.302 -1.234 20 30 CAEDRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC000594544412 373103245 /nfs/dbraw/zinc/10/32/45/373103245.db2.gz KQYVBJYKXYYKTD-YUMQZZPRSA-N -1 0 269.257 -1.426 20 30 CAEDRM COC(=O)CNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000592354939 373070308 /nfs/dbraw/zinc/07/03/08/373070308.db2.gz BTWNXJAPTPVOEO-UHFFFAOYSA-N -1 0 266.213 -2.303 20 30 CAEDRM N#Cc1c[n-]c(=O)n(Cc2nnnn2C2CC2)c1=O ZINC000592354938 373070414 /nfs/dbraw/zinc/07/04/14/373070414.db2.gz BCQXUGYVLSKLLB-UHFFFAOYSA-N -1 0 259.229 -1.222 20 30 CAEDRM Cn1c(NC[C@](C)(O)C(=O)[O-])c(C#N)c(=O)n(C)c1=O ZINC000595968812 373124010 /nfs/dbraw/zinc/12/40/10/373124010.db2.gz LQZZZPVGWSAXDN-NSHDSACASA-N -1 0 282.256 -1.797 20 30 CAEDRM Cn1c(NC[C@@](C)(O)C(=O)[O-])c(C#N)c(=O)n(C)c1=O ZINC000595968811 373124170 /nfs/dbraw/zinc/12/41/70/373124170.db2.gz LQZZZPVGWSAXDN-LLVKDONJSA-N -1 0 282.256 -1.797 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CCO[C@@H](C(=O)[O-])C2)n(C)c1=O ZINC000595965783 373124261 /nfs/dbraw/zinc/12/42/61/373124261.db2.gz KBDVKSVDYGAQQY-MRVPVSSYSA-N -1 0 294.267 -1.755 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CCO[C@H](C(=O)[O-])C2)n(C)c1=O ZINC000595965790 373125215 /nfs/dbraw/zinc/12/52/15/373125215.db2.gz KBDVKSVDYGAQQY-QMMMGPOBSA-N -1 0 294.267 -1.755 20 30 CAEDRM N#Cc1c[n-]c(=O)n(CCN2CCCS2(=O)=O)c1=O ZINC000568748251 373217094 /nfs/dbraw/zinc/21/70/94/373217094.db2.gz DMXHHNFQMXJJFI-UHFFFAOYSA-N -1 0 284.297 -1.556 20 30 CAEDRM Cn1c(NCc2nnn[n-]2)c(C#N)c(=O)n(C)c1=O ZINC000609497109 373247054 /nfs/dbraw/zinc/24/70/54/373247054.db2.gz VZVMXPYEWPEAKF-UHFFFAOYSA-N -1 0 262.233 -1.919 20 30 CAEDRM CCOC(=O)C[C@H](O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000600553994 373888097 /nfs/dbraw/zinc/88/80/97/373888097.db2.gz CZYLCUHHXWFSQX-QMMMGPOBSA-N -1 0 267.241 -1.278 20 30 CAEDRM C[C@H](C#N)S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001193168975 781963346 /nfs/dbraw/zinc/96/33/46/781963346.db2.gz OWBDILOPEUAJHM-SRQIZXRXSA-N -1 0 297.314 -1.780 20 30 CAEDRM C[C@@H](O)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-] ZINC000567114273 373954255 /nfs/dbraw/zinc/95/42/55/373954255.db2.gz ICODYXZIQNCAMU-PRJMDXOYSA-N -1 0 279.318 -1.254 20 30 CAEDRM C[C@H](C#N)S(=O)(=O)[N-][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001193168856 781964231 /nfs/dbraw/zinc/96/42/31/781964231.db2.gz MRJCCCWXMKFEGV-ANZWQOBJSA-N -1 0 296.301 -3.540 20 30 CAEDRM N#C[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC000568630854 373972945 /nfs/dbraw/zinc/97/29/45/373972945.db2.gz SMQJXCOLFMYVJL-QMMMGPOBSA-N -1 0 269.257 -1.282 20 30 CAEDRM CC(=O)CNC(=O)[C@@H](C)n1c(=O)[n-]cc(C#N)c1=O ZINC000574637291 335036037 /nfs/dbraw/zinc/03/60/37/335036037.db2.gz HYJKBNTZDDICTN-SSDOTTSWSA-N -1 0 264.241 -1.326 20 30 CAEDRM N#Cc1cc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)ccc1[O-] ZINC001193519185 781971908 /nfs/dbraw/zinc/97/19/08/781971908.db2.gz SQMGJPQVKPVEFS-GRYCIOLGSA-N -1 0 288.311 -1.603 20 30 CAEDRM N#Cc1cccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c1[O-] ZINC001193659467 781975798 /nfs/dbraw/zinc/97/57/98/781975798.db2.gz NBMFTCYKBYPYBC-ADEWGFFLSA-N -1 0 288.311 -1.603 20 30 CAEDRM Cn1cc(C#N)c(=O)n(CC(=O)NCC(=O)[O-])c1=O ZINC000574876749 335054436 /nfs/dbraw/zinc/05/44/36/335054436.db2.gz FOYWXKFNHFTCDR-UHFFFAOYSA-N -1 0 266.213 -2.381 20 30 CAEDRM CO[N-]C(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001195567834 782009267 /nfs/dbraw/zinc/00/92/67/782009267.db2.gz VDCKMRSCYZAHJV-SSDOTTSWSA-N -1 0 278.290 -2.277 20 30 CAEDRM C=CCOC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652071210 409380994 /nfs/dbraw/zinc/38/09/94/409380994.db2.gz LVIWLXXURYISFP-JGVFFNPUSA-N -1 0 292.313 -1.550 20 30 CAEDRM C=CCOC[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)[O-] ZINC000652071211 409381297 /nfs/dbraw/zinc/38/12/97/409381297.db2.gz LVIWLXXURYISFP-SFYZADRCSA-N -1 0 292.313 -1.550 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)C(=O)[O-])C1=O ZINC000647768329 409406934 /nfs/dbraw/zinc/40/69/34/409406934.db2.gz MNSVLLMVMJRCPU-ZETCQYMHSA-N -1 0 297.267 -1.057 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)C(=O)[O-])C1=O ZINC000655561491 409421522 /nfs/dbraw/zinc/42/15/22/409421522.db2.gz NFJIHXRGUPMIGO-SSDOTTSWSA-N -1 0 297.267 -1.200 20 30 CAEDRM C=CCNC(=O)[C@H](C)S(=O)(=O)c1n[nH]c(=O)[n-]1 ZINC000350222497 409444675 /nfs/dbraw/zinc/44/46/75/409444675.db2.gz QBEFBHYWZQWDKC-YFKPBYRVSA-N -1 0 260.275 -1.025 20 30 CAEDRM C=CCOC[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000646046710 409483186 /nfs/dbraw/zinc/48/31/86/409483186.db2.gz ONLWNONBZGTSRV-SSDOTTSWSA-N -1 0 290.301 -1.251 20 30 CAEDRM C=CCOC[C@H](NS(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000646046711 409483394 /nfs/dbraw/zinc/48/33/94/409483394.db2.gz ONLWNONBZGTSRV-ZETCQYMHSA-N -1 0 290.301 -1.251 20 30 CAEDRM C=CCOC[C@@H](NC(=O)C1(n2cnnn2)CC1)C(=O)[O-] ZINC000659156234 409554982 /nfs/dbraw/zinc/55/49/82/409554982.db2.gz KEWHGYMRGOWAKR-MRVPVSSYSA-N -1 0 281.272 -1.066 20 30 CAEDRM C=CCOCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000659666109 409562254 /nfs/dbraw/zinc/56/22/54/409562254.db2.gz XMOQZHUYUKAXJP-VIFPVBQESA-N -1 0 286.284 -1.383 20 30 CAEDRM N#Cc1ccc(NCC(=O)NCCc2nc(=O)o[n-]2)nc1 ZINC000447638231 409658071 /nfs/dbraw/zinc/65/80/71/409658071.db2.gz WQCJCODZDUYLFY-UHFFFAOYSA-N -1 0 288.267 -0.600 20 30 CAEDRM N#C[C@@H](NC(=O)c1c[nH]c(=S)[nH]c1=O)C(N)=O ZINC001196023897 782023302 /nfs/dbraw/zinc/02/33/02/782023302.db2.gz NNTGBCBLVFUENK-SCSAIBSYSA-N -1 0 253.243 -1.422 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000575200850 335080498 /nfs/dbraw/zinc/08/04/98/335080498.db2.gz MARKEIQIWFOGBF-MRVPVSSYSA-N -1 0 277.302 -1.138 20 30 CAEDRM Cn1c(Sc2n[nH]c(=O)[n-]2)c(C#N)c(=O)n(C)c1=O ZINC000429328267 230299178 /nfs/dbraw/zinc/29/91/78/230299178.db2.gz DLTIAMZJSGZDFX-UHFFFAOYSA-N -1 0 280.269 -1.069 20 30 CAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000520235830 265712880 /nfs/dbraw/zinc/71/28/80/265712880.db2.gz CHYWJGPGBOYBID-BQBZGAKWSA-N -1 0 265.291 -1.642 20 30 CAEDRM CCN(CCNCC#N)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001273727732 782041096 /nfs/dbraw/zinc/04/10/96/782041096.db2.gz YGUYOAPRGQFPAJ-UHFFFAOYSA-N -1 0 268.277 -1.349 20 30 CAEDRM COCCN(CCC#N)S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000582423982 328986229 /nfs/dbraw/zinc/98/62/29/328986229.db2.gz RLCVUNSKEPYWSA-QMMMGPOBSA-N -1 0 295.317 -1.872 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000563225960 327981829 /nfs/dbraw/zinc/98/18/29/327981829.db2.gz IDDHWKQVKSMOTH-MRVPVSSYSA-N -1 0 279.318 -1.298 20 30 CAEDRM CCOC(=O)COCCn1c(=O)[n-]cc(C#N)c1=O ZINC000584172529 327057199 /nfs/dbraw/zinc/05/71/99/327057199.db2.gz UJYAPHINGBJUGN-UHFFFAOYSA-N -1 0 267.241 -1.012 20 30 CAEDRM COC(=O)CCC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000569693408 327536269 /nfs/dbraw/zinc/53/62/69/327536269.db2.gz LBADASPGPXKSGJ-UHFFFAOYSA-N -1 0 265.225 -1.069 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000583634554 328723697 /nfs/dbraw/zinc/72/36/97/328723697.db2.gz YKHUIYWVRMLNQW-CSMHCCOUSA-N -1 0 279.318 -1.111 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C(=O)[O-])C1=O ZINC000262714283 330027964 /nfs/dbraw/zinc/02/79/64/330027964.db2.gz RBPYCYAKQCSRQT-LURJTMIESA-N -1 0 283.240 -1.448 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCCCC(=O)[O-])C1=O ZINC000262741829 330029154 /nfs/dbraw/zinc/02/91/54/330029154.db2.gz ITVZNEVRNASABK-UHFFFAOYSA-N -1 0 297.267 -1.056 20 30 CAEDRM CC#CC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000275062233 330108992 /nfs/dbraw/zinc/10/89/92/330108992.db2.gz UWLDNEDJZDPEAH-MRVPVSSYSA-N -1 0 297.354 -1.183 20 30 CAEDRM CC#CC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC000275062236 330109025 /nfs/dbraw/zinc/10/90/25/330109025.db2.gz UWLDNEDJZDPEAH-QMMMGPOBSA-N -1 0 297.354 -1.183 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)C(=O)[O-])C1=O ZINC000515161213 330472022 /nfs/dbraw/zinc/47/20/22/330472022.db2.gz MNSVLLMVMJRCPU-SSDOTTSWSA-N -1 0 297.267 -1.057 20 30 CAEDRM C#C[C@H]1COCCN1C(=O)C(=O)NCCCC(=O)[O-] ZINC000491690209 332287465 /nfs/dbraw/zinc/28/74/65/332287465.db2.gz CDMNILIVVAWTKS-VIFPVBQESA-N -1 0 268.269 -1.172 20 30 CAEDRM C#CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000491800837 332355238 /nfs/dbraw/zinc/35/52/38/332355238.db2.gz AWNHDJJDILJNPL-SSDOTTSWSA-N -1 0 260.271 -1.487 20 30 CAEDRM C#CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000491800858 332355329 /nfs/dbraw/zinc/35/53/29/332355329.db2.gz AWNHDJJDILJNPL-ZETCQYMHSA-N -1 0 260.271 -1.487 20 30 CAEDRM C[C@H](CC#N)N(C)S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000564335867 334132258 /nfs/dbraw/zinc/13/22/58/334132258.db2.gz UFHFIFLPNUETIZ-SSDOTTSWSA-N -1 0 292.317 -1.744 20 30 CAEDRM COC(=O)C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-] ZINC000548534518 334162276 /nfs/dbraw/zinc/16/22/76/334162276.db2.gz IQIMHPZWMOEBRA-ZETCQYMHSA-N -1 0 293.301 -1.317 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000548580871 334162811 /nfs/dbraw/zinc/16/28/11/334162811.db2.gz GBFXYNIEPHANKP-QMMMGPOBSA-N -1 0 277.302 -1.138 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000548580870 334162831 /nfs/dbraw/zinc/16/28/31/334162831.db2.gz GBFXYNIEPHANKP-MRVPVSSYSA-N -1 0 277.302 -1.138 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])o1 ZINC000554531668 334435822 /nfs/dbraw/zinc/43/58/22/334435822.db2.gz XVGIJZYDWAUQRR-UHFFFAOYSA-N -1 0 287.253 -1.370 20 30 CAEDRM CCCNC(=O)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O ZINC000567860557 334769456 /nfs/dbraw/zinc/76/94/56/334769456.db2.gz QLPHANBGEHMCIQ-UHFFFAOYSA-N -1 0 279.256 -1.356 20 30 CAEDRM N#CCCCS(=O)(=O)N(CCO)CC(=O)[O-] ZINC000275239218 334787950 /nfs/dbraw/zinc/78/79/50/334787950.db2.gz GNPVBLATRMJPOP-UHFFFAOYSA-N -1 0 250.276 -1.001 20 30 CAEDRM N#Cc1nc(NC(=O)CN2CCNCC2=O)[n-]c1C#N ZINC000578624732 335655059 /nfs/dbraw/zinc/65/50/59/335655059.db2.gz PWVOUMUSSCMULY-UHFFFAOYSA-N -1 0 273.256 -1.477 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC000579236581 335725238 /nfs/dbraw/zinc/72/52/38/335725238.db2.gz CHYWJGPGBOYBID-RNFRBKRXSA-N -1 0 265.291 -1.642 20 30 CAEDRM C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-] ZINC000262110162 534015366 /nfs/dbraw/zinc/01/53/66/534015366.db2.gz KHAZLGXAHLRQQV-YFKPBYRVSA-N -1 0 252.230 -1.159 20 30 CAEDRM C[C@H](CN(C)CC#N)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001275600748 782175335 /nfs/dbraw/zinc/17/53/35/782175335.db2.gz UCJFZJGXMLWGAW-ZCFIWIBFSA-N -1 0 266.261 -1.144 20 30 CAEDRM C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001275681117 782177489 /nfs/dbraw/zinc/17/74/89/782177489.db2.gz PUHLSUPNCCZGSJ-LLVKDONJSA-N -1 0 292.339 -1.004 20 30 CAEDRM C#CC[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001275681122 782177791 /nfs/dbraw/zinc/17/77/91/782177791.db2.gz PUHLSUPNCCZGSJ-NSHDSACASA-N -1 0 292.339 -1.004 20 30 CAEDRM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)CC#N ZINC001275874188 782182008 /nfs/dbraw/zinc/18/20/08/782182008.db2.gz PPRSIRIZHIOVKQ-ZCFIWIBFSA-N -1 0 266.261 -1.144 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n1C ZINC000892883239 582112195 /nfs/dbraw/zinc/11/21/95/582112195.db2.gz UTRVBNQHNNYTGK-UHFFFAOYSA-N -1 0 259.287 -1.031 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)NC ZINC000797200006 582116931 /nfs/dbraw/zinc/11/69/31/582116931.db2.gz OIWCKSNKVZOKIT-UHFFFAOYSA-N -1 0 261.303 -1.225 20 30 CAEDRM N#CCN(CC(=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000833067487 582124102 /nfs/dbraw/zinc/12/41/02/582124102.db2.gz ULUCUKJPTRBTPG-JTQLQIEISA-N -1 0 257.290 -1.410 20 30 CAEDRM COCCN1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O ZINC000737807466 582124174 /nfs/dbraw/zinc/12/41/74/582124174.db2.gz GPJJLUMPTGGNSC-VIFPVBQESA-N -1 0 283.284 -1.082 20 30 CAEDRM C=CCO[N-]C(=O)CN1CCN(CC)C(=O)C1=O ZINC000837044971 582125621 /nfs/dbraw/zinc/12/56/21/582125621.db2.gz UGNBIGKXMUDXCN-UHFFFAOYSA-N -1 0 255.274 -1.089 20 30 CAEDRM C#CCNC(=O)CSc1n[n-]c2nc(=O)c(C)nn21 ZINC000734235893 582126992 /nfs/dbraw/zinc/12/69/92/582126992.db2.gz XZUZSZQWOOFGPU-UHFFFAOYSA-N -1 0 278.297 -1.037 20 30 CAEDRM C#CCNC(=O)CN1CCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000736079958 582129964 /nfs/dbraw/zinc/12/99/64/582129964.db2.gz PPRQPBJMCDQAIB-UHFFFAOYSA-N -1 0 296.327 -1.510 20 30 CAEDRM C#CCN(C(=O)CNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000736077798 582130325 /nfs/dbraw/zinc/13/03/25/582130325.db2.gz XMVLGGZINAJEJO-MRVPVSSYSA-N -1 0 274.298 -1.097 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)[O-])C1=O ZINC000736106797 582130330 /nfs/dbraw/zinc/13/03/30/582130330.db2.gz LXIGHHPIJYVUPY-ZCFIWIBFSA-N -1 0 284.224 -1.021 20 30 CAEDRM C#CCN(C(=O)CNC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000736077806 582130336 /nfs/dbraw/zinc/13/03/36/582130336.db2.gz XMVLGGZINAJEJO-QMMMGPOBSA-N -1 0 274.298 -1.097 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)[O-])C1=O ZINC000736106796 582130428 /nfs/dbraw/zinc/13/04/28/582130428.db2.gz LXIGHHPIJYVUPY-LURJTMIESA-N -1 0 284.224 -1.021 20 30 CAEDRM CC(C)NC(=O)CN(C)CC(=O)N(CC#N)CC(=O)[O-] ZINC000736476916 582131838 /nfs/dbraw/zinc/13/18/38/582131838.db2.gz APTGCTVMDYFTGZ-UHFFFAOYSA-N -1 0 284.316 -1.120 20 30 CAEDRM CC1(C)NC(=O)N(CC(=O)N(CC#N)CC(=O)[O-])C1=O ZINC000736737330 582132991 /nfs/dbraw/zinc/13/29/91/582132991.db2.gz QPZQTWXKAGAHEV-UHFFFAOYSA-N -1 0 282.256 -1.246 20 30 CAEDRM CN1C(=O)C(=O)N(CC(=O)N(CC#N)CC(=O)[O-])C1=O ZINC000737506240 582137000 /nfs/dbraw/zinc/13/70/00/582137000.db2.gz NMNDLVUDZQOJEL-UHFFFAOYSA-N -1 0 282.212 -2.156 20 30 CAEDRM COC(=O)CN(CC(=O)[O-])CC(=O)NCCC#N ZINC000737614826 582137981 /nfs/dbraw/zinc/13/79/81/582137981.db2.gz FUUXOWRVHNQCIJ-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM CS(=O)(=O)CCCS(=O)(=O)N(CC#N)CC(=O)[O-] ZINC000738153327 582139325 /nfs/dbraw/zinc/13/93/25/582139325.db2.gz PTZPSLURMITREN-UHFFFAOYSA-N -1 0 298.342 -1.339 20 30 CAEDRM CS(=O)(=O)NCCn1cc(C(=O)[O-])cc(C#N)c1=O ZINC000738165397 582139350 /nfs/dbraw/zinc/13/93/50/582139350.db2.gz SHIDSKBCRXLXIT-UHFFFAOYSA-N -1 0 285.281 -1.033 20 30 CAEDRM NC(=O)CNC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000749814421 582142826 /nfs/dbraw/zinc/14/28/26/582142826.db2.gz ORLQDGARSVLLCT-UHFFFAOYSA-N -1 0 269.286 -1.004 20 30 CAEDRM CN(C)S(=O)(=O)C=C([O-])n1ncc(C#N)c1N ZINC000753416671 582144130 /nfs/dbraw/zinc/14/41/30/582144130.db2.gz LRNHRMJIYBZWQN-UHFFFAOYSA-N -1 0 257.275 -1.131 20 30 CAEDRM C#CCOCCC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000756567281 582145300 /nfs/dbraw/zinc/14/53/00/582145300.db2.gz IXASUVOOHGYNLM-UHFFFAOYSA-N -1 0 276.314 -1.281 20 30 CAEDRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000763218850 582148472 /nfs/dbraw/zinc/14/84/72/582148472.db2.gz NBQZMFYJUQNQBU-SSDOTTSWSA-N -1 0 264.303 -1.011 20 30 CAEDRM N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)CC(N)=O)cc1 ZINC000766927152 582151090 /nfs/dbraw/zinc/15/10/90/582151090.db2.gz MEPGNULESKJNAU-UHFFFAOYSA-N -1 0 297.292 -1.132 20 30 CAEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766925535 582151115 /nfs/dbraw/zinc/15/11/15/582151115.db2.gz BUTPIXYKIPNFNC-ZETCQYMHSA-N -1 0 264.303 -1.101 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000772714998 582153683 /nfs/dbraw/zinc/15/36/83/582153683.db2.gz AGSQANNDWAMYEE-UHFFFAOYSA-N -1 0 282.343 -1.346 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000772721435 582153712 /nfs/dbraw/zinc/15/37/12/582153712.db2.gz OAIJIUVIOJAELM-UHFFFAOYSA-N -1 0 273.270 -1.269 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000772717087 582153751 /nfs/dbraw/zinc/15/37/51/582153751.db2.gz BSIDAXNXVRKVII-UHFFFAOYSA-N -1 0 270.332 -1.490 20 30 CAEDRM COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)CCCC#N ZINC000776117591 582155486 /nfs/dbraw/zinc/15/54/86/582155486.db2.gz UDDVQVIFDWGRDL-UHFFFAOYSA-N -1 0 291.329 -1.159 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)[N-]OCCO)C1=O ZINC000787297190 582161214 /nfs/dbraw/zinc/16/12/14/582161214.db2.gz UELRFBQQVHJBDW-UHFFFAOYSA-N -1 0 271.229 -1.997 20 30 CAEDRM C=CCS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790785937 582162974 /nfs/dbraw/zinc/16/29/74/582162974.db2.gz APFBMDNNEQUACL-UHFFFAOYSA-N -1 0 262.287 -1.523 20 30 CAEDRM N#CCCCS(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790789271 582163022 /nfs/dbraw/zinc/16/30/22/582163022.db2.gz BOECDQGNNVAZNE-UHFFFAOYSA-N -1 0 289.313 -1.405 20 30 CAEDRM CC[C@@H](NN=Cc1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000793077189 582163684 /nfs/dbraw/zinc/16/36/84/582163684.db2.gz BKQDXVMEJALUKJ-MRVPVSSYSA-N -1 0 268.273 -1.129 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000798202428 582166535 /nfs/dbraw/zinc/16/65/35/582166535.db2.gz DHAUYQWJOHLHDB-UHFFFAOYSA-N -1 0 282.343 -1.653 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CN(C)S(C)(=O)=O ZINC000798202751 582166579 /nfs/dbraw/zinc/16/65/79/582166579.db2.gz LTAXYPJBOWTEQO-UHFFFAOYSA-N -1 0 282.343 -1.653 20 30 CAEDRM Cn1c(C=[NH+][N-]c2nnc[nH]2)nc2c1c(=O)nc([O-])n2C ZINC000807996483 582169632 /nfs/dbraw/zinc/16/96/32/582169632.db2.gz VFQASGGXVCZHQC-UHFFFAOYSA-N -1 0 289.259 -1.063 20 30 CAEDRM C#C[C@H](NC(=O)C(=O)[N-]OCCOC)[C@@H]1CCCO1 ZINC000809304907 582170694 /nfs/dbraw/zinc/17/06/94/582170694.db2.gz SIBOGIFEXWGQGE-UWVGGRQHSA-N -1 0 270.285 -1.022 20 30 CAEDRM C#C[C@@H](NC(=O)C(=O)[N-]OCCOC)[C@@H]1CCCO1 ZINC000809304909 582170713 /nfs/dbraw/zinc/17/07/13/582170713.db2.gz SIBOGIFEXWGQGE-ZJUUUORDSA-N -1 0 270.285 -1.022 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC000810782062 582171668 /nfs/dbraw/zinc/17/16/68/582171668.db2.gz KAXHNGDDFVQLQX-UHFFFAOYSA-N -1 0 272.286 -1.949 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C1=O ZINC000810776913 582171709 /nfs/dbraw/zinc/17/17/09/582171709.db2.gz NANDIDVGIUZYCD-MRVPVSSYSA-N -1 0 258.299 -1.066 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000810778459 582171711 /nfs/dbraw/zinc/17/17/11/582171711.db2.gz ZAGMMLLFNUZMBC-QMMMGPOBSA-N -1 0 258.299 -1.018 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000810774770 582171720 /nfs/dbraw/zinc/17/17/20/582171720.db2.gz QLAQXMKROCTUFA-UHFFFAOYSA-N -1 0 285.281 -1.431 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000810775229 582171724 /nfs/dbraw/zinc/17/17/24/582171724.db2.gz XBFDPWXRZHJSQR-UHFFFAOYSA-N -1 0 299.308 -1.833 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)Cn1ccc(=O)n(C)c1=O ZINC000810778731 582171737 /nfs/dbraw/zinc/17/17/37/582171737.db2.gz KNFPMQPXOVVFTR-UHFFFAOYSA-N -1 0 299.308 -1.984 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000810772706 582171752 /nfs/dbraw/zinc/17/17/52/582171752.db2.gz BCYACUJBSIGWQF-UHFFFAOYSA-N -1 0 294.354 -1.509 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CN(C)C(=O)COC ZINC000810785811 582171763 /nfs/dbraw/zinc/17/17/63/582171763.db2.gz RHFIFQXXCFOBSU-UHFFFAOYSA-N -1 0 276.314 -1.440 20 30 CAEDRM C#CCO[N-]C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000812782478 582172070 /nfs/dbraw/zinc/17/20/70/582172070.db2.gz UVCFHJWTRPOGKT-UHFFFAOYSA-N -1 0 272.286 -1.621 20 30 CAEDRM C#CCO[N-]C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000812783340 582172119 /nfs/dbraw/zinc/17/21/19/582172119.db2.gz KJHRXJWNCQBDHX-UHFFFAOYSA-N -1 0 286.313 -1.312 20 30 CAEDRM O=C1[N-]C(=O)C(=NNC(=S)NCC2CCC2)C(=O)N1 ZINC000814221016 582172720 /nfs/dbraw/zinc/17/27/20/582172720.db2.gz OKFWLNUGLFNKMK-UHFFFAOYSA-N -1 0 283.313 -1.027 20 30 CAEDRM C=CCNC(=S)NN=C1C(=O)[N-]C(=O)NC1=O ZINC000814213465 582172756 /nfs/dbraw/zinc/17/27/56/582172756.db2.gz BEPNLLJOACTHCM-UHFFFAOYSA-N -1 0 255.259 -1.642 20 30 CAEDRM O=C1[N-]C(=O)C(=NNC(=S)NCC(F)(F)F)C(=O)N1 ZINC000814220254 582172854 /nfs/dbraw/zinc/17/28/54/582172854.db2.gz YJVQJQYNURQAMD-UHFFFAOYSA-N -1 0 297.218 -1.265 20 30 CAEDRM CN(C)c1c(C=NNCC(=O)[O-])c(=O)n(C)c(=O)n1C ZINC000814960087 582172945 /nfs/dbraw/zinc/17/29/45/582172945.db2.gz GQXPOAZYIMVHPR-UHFFFAOYSA-N -1 0 283.288 -1.842 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816056139 582173631 /nfs/dbraw/zinc/17/36/31/582173631.db2.gz GSNUTDUDINDXPH-UHFFFAOYSA-N -1 0 286.313 -1.559 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC000816056279 582173673 /nfs/dbraw/zinc/17/36/73/582173673.db2.gz LWKJBTRRZWPUQM-UHFFFAOYSA-N -1 0 286.313 -1.559 20 30 CAEDRM C#CCN1CCN(C(=O)CN(CCOC)CC(=O)[O-])CC1 ZINC000817668656 582175152 /nfs/dbraw/zinc/17/51/52/582175152.db2.gz RCKDTVJICDBWDE-UHFFFAOYSA-N -1 0 297.355 -1.203 20 30 CAEDRM N#CCCn1ccc(NC(=O)C(=O)NCC(=O)[O-])n1 ZINC000819091390 582177099 /nfs/dbraw/zinc/17/70/99/582177099.db2.gz ZYTFTIFPSPVCKX-UHFFFAOYSA-N -1 0 265.229 -1.064 20 30 CAEDRM C#CCNC(=O)CN(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000819701075 582177717 /nfs/dbraw/zinc/17/77/17/582177717.db2.gz ZOTAZRQXGQDAQM-SECBINFHSA-N -1 0 269.301 -1.353 20 30 CAEDRM C#CCNS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC000819706288 582177721 /nfs/dbraw/zinc/17/77/21/582177721.db2.gz UJYBQKLCVNEOLZ-UHFFFAOYSA-N -1 0 261.303 -1.844 20 30 CAEDRM C#CC(C)(C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819689004 582177725 /nfs/dbraw/zinc/17/77/25/582177725.db2.gz SFXODQNDVPFKAT-UHFFFAOYSA-N -1 0 260.261 -1.014 20 30 CAEDRM C#CCN(CC(=O)NCC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000819700904 582177749 /nfs/dbraw/zinc/17/77/49/582177749.db2.gz OKCAWFFYAITCJQ-VIFPVBQESA-N -1 0 288.325 -1.691 20 30 CAEDRM C=CCNC(=O)CN1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000819720305 582177761 /nfs/dbraw/zinc/17/77/61/582177761.db2.gz UGQZFUAVMGXLQO-UHFFFAOYSA-N -1 0 298.343 -1.893 20 30 CAEDRM C#CCN(CC#C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819697432 582177766 /nfs/dbraw/zinc/17/77/66/582177766.db2.gz FDPHWVOULGKPOG-UHFFFAOYSA-N -1 0 270.256 -1.447 20 30 CAEDRM C#CCN(CC)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819697846 582177776 /nfs/dbraw/zinc/17/77/76/582177776.db2.gz MELRTLFQAAEHPR-UHFFFAOYSA-N -1 0 260.261 -1.060 20 30 CAEDRM C#CCSCCNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819709843 582177779 /nfs/dbraw/zinc/17/77/79/582177779.db2.gz RHFJTIIUZOJNJR-UHFFFAOYSA-N -1 0 292.328 -1.059 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(N)=O)CC1 ZINC000819821653 582178003 /nfs/dbraw/zinc/17/80/03/582178003.db2.gz IXPAMDNVXWYWJY-LBPRGKRZSA-N -1 0 282.300 -1.380 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819812092 582178024 /nfs/dbraw/zinc/17/80/24/582178024.db2.gz YQUGVAJGNZNPLC-XVKPBYJWSA-N -1 0 289.313 -1.120 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC(=O)NC1=O ZINC000819823690 582178047 /nfs/dbraw/zinc/17/80/47/582178047.db2.gz VORJNDKXMBYMRF-KGFZYKRKSA-N -1 0 267.241 -1.088 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC(=O)NC1=O ZINC000819823693 582178208 /nfs/dbraw/zinc/17/82/08/582178208.db2.gz VORJNDKXMBYMRF-UPONEAKYSA-N -1 0 267.241 -1.088 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000819823929 582178258 /nfs/dbraw/zinc/17/82/58/582178258.db2.gz WZNDCSDOIABWFK-RDDDGLTNSA-N -1 0 269.257 -1.296 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNS(C)(=O)=O ZINC000819841569 582178271 /nfs/dbraw/zinc/17/82/71/582178271.db2.gz AZBCVPSLYWOSCQ-VIFPVBQESA-N -1 0 277.302 -1.344 20 30 CAEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)N1CCOCC1 ZINC000819834968 582178277 /nfs/dbraw/zinc/17/82/77/582178277.db2.gz RIRKZTHCRMKRTR-LBPRGKRZSA-N -1 0 283.284 -1.034 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCS(N)(=O)=O ZINC000819841695 582178297 /nfs/dbraw/zinc/17/82/97/582178297.db2.gz CEWYERHCWGPYFX-MRVPVSSYSA-N -1 0 263.275 -1.604 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000819866434 582178300 /nfs/dbraw/zinc/17/83/00/582178300.db2.gz WYUZOGVLEPLNST-GFCCVEGCSA-N -1 0 297.267 -1.507 20 30 CAEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000819823932 582178304 /nfs/dbraw/zinc/17/83/04/582178304.db2.gz WZNDCSDOIABWFK-WRWORJQWSA-N -1 0 269.257 -1.296 20 30 CAEDRM CN1C(=O)CN(NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O ZINC000820614631 582180267 /nfs/dbraw/zinc/18/02/67/582180267.db2.gz JCIPMWYBHBOSQO-SNVBAGLBSA-N -1 0 268.229 -1.084 20 30 CAEDRM CNC(=O)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1 ZINC000820631066 582180274 /nfs/dbraw/zinc/18/02/74/582180274.db2.gz OCUCNJZPQCFSAN-QPUJVOFHSA-N -1 0 283.284 -1.036 20 30 CAEDRM CNC(=O)[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1 ZINC000820631065 582180285 /nfs/dbraw/zinc/18/02/85/582180285.db2.gz OCUCNJZPQCFSAN-PRHODGIISA-N -1 0 283.284 -1.036 20 30 CAEDRM CNC(=O)Cn1cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC000820637099 582180287 /nfs/dbraw/zinc/18/02/87/582180287.db2.gz CFKSCAWPJQQSEP-LLVKDONJSA-N -1 0 294.271 -1.033 20 30 CAEDRM COC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(N)=O ZINC000820710782 582180664 /nfs/dbraw/zinc/18/06/64/582180664.db2.gz UBCFATALBVBPDX-LDWIPMOCSA-N -1 0 257.246 -1.393 20 30 CAEDRM COCCNC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820729875 582180701 /nfs/dbraw/zinc/18/07/01/582180701.db2.gz CUEFQVJDKXXCAW-LLVKDONJSA-N -1 0 271.273 -1.130 20 30 CAEDRM Cn1nncc1/C=C\C(=O)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000821013178 582181121 /nfs/dbraw/zinc/18/11/21/582181121.db2.gz VIVHQSYVKDJEME-PLNGDYQASA-N -1 0 291.267 -1.186 20 30 CAEDRM Cn1nnnc1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821315367 582181785 /nfs/dbraw/zinc/18/17/85/582181785.db2.gz PNQPMHFOXKWRKA-SNVBAGLBSA-N -1 0 266.261 -1.127 20 30 CAEDRM Cn1nnnc1CCNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821315363 582181873 /nfs/dbraw/zinc/18/18/73/582181873.db2.gz PNQPMHFOXKWRKA-JTQLQIEISA-N -1 0 266.261 -1.127 20 30 CAEDRM O=C([O-])CNC(=O)Cn1ccc(C=NO)nc1=O ZINC000821533553 582182899 /nfs/dbraw/zinc/18/28/99/582182899.db2.gz SXYNEQRODXAWRU-UHFFFAOYSA-N -1 0 254.202 -1.748 20 30 CAEDRM NC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822868719 582184848 /nfs/dbraw/zinc/18/48/48/582184848.db2.gz GNLDZOVQUTXMQS-UHFFFAOYSA-N -1 0 294.300 -1.257 20 30 CAEDRM C#CCNC(=O)COC(=O)COC1CN(C(=O)[O-])C1 ZINC000823457358 582185537 /nfs/dbraw/zinc/18/55/37/582185537.db2.gz YHLHWVXCRGXCJO-UHFFFAOYSA-N -1 0 270.241 -1.342 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823455454 582185581 /nfs/dbraw/zinc/18/55/81/582185581.db2.gz CNMBGIGDDVBQGI-QMMMGPOBSA-N -1 0 270.241 -1.342 20 30 CAEDRM C=CCNC(=O)NC(=O)Cn1nnnc1CNC(=O)[O-] ZINC000823511502 582185798 /nfs/dbraw/zinc/18/57/98/582185798.db2.gz YPSVCZJBZQOLAN-UHFFFAOYSA-N -1 0 283.248 -1.548 20 30 CAEDRM C[C@H](NC(=O)[O-])[C@H]1CN(CC(=O)NCC#N)CCO1 ZINC000825345970 582188530 /nfs/dbraw/zinc/18/85/30/582188530.db2.gz WUYYJIAHJMYBOF-DTWKUNHWSA-N -1 0 270.289 -1.017 20 30 CAEDRM C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825472321 582188856 /nfs/dbraw/zinc/18/88/56/582188856.db2.gz GZTXPDJIUXXVND-BQBZGAKWSA-N -1 0 269.261 -1.242 20 30 CAEDRM C[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825472324 582188895 /nfs/dbraw/zinc/18/88/95/582188895.db2.gz GZTXPDJIUXXVND-RNFRBKRXSA-N -1 0 269.261 -1.242 20 30 CAEDRM C[C@H](NS(C)(=O)=O)C(=O)N(CC#N)CC(=O)[O-] ZINC000827767905 582193488 /nfs/dbraw/zinc/19/34/88/582193488.db2.gz MSYLNBSTXAQBSS-LURJTMIESA-N -1 0 263.275 -1.639 20 30 CAEDRM CN(C)S(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000828051274 582194080 /nfs/dbraw/zinc/19/40/80/582194080.db2.gz LYJWOSZCIHWBCH-SSDOTTSWSA-N -1 0 262.291 -1.019 20 30 CAEDRM CS(=O)(=O)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000829669069 582196981 /nfs/dbraw/zinc/19/69/81/582196981.db2.gz JZLGUVCEEGADJU-ZETCQYMHSA-N -1 0 275.286 -1.255 20 30 CAEDRM CS(=O)(=O)NCCN1CCN(C(=O)[O-])C[C@H]1C#N ZINC000829688739 582197204 /nfs/dbraw/zinc/19/72/04/582197204.db2.gz VTEJRQMUKAKOML-MRVPVSSYSA-N -1 0 276.318 -1.277 20 30 CAEDRM CCOC(=O)CN(C)C(=O)CN(CC#N)CC(=O)[O-] ZINC000829848223 582197484 /nfs/dbraw/zinc/19/74/84/582197484.db2.gz YWDPZAMQOZDQOO-UHFFFAOYSA-N -1 0 271.273 -1.082 20 30 CAEDRM CN(C)c1nc(N)nc(CN(CC#N)CC(=O)[O-])n1 ZINC000830647671 582199259 /nfs/dbraw/zinc/19/92/59/582199259.db2.gz SJSKRWZSUYWRRM-UHFFFAOYSA-N -1 0 265.277 -1.070 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000831075909 582200267 /nfs/dbraw/zinc/20/02/67/582200267.db2.gz DPFSTAZVDTXLLI-HTQZYQBOSA-N -1 0 266.257 -1.163 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000831075910 582200363 /nfs/dbraw/zinc/20/03/63/582200363.db2.gz DPFSTAZVDTXLLI-JGVFFNPUSA-N -1 0 266.257 -1.163 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000831077254 582200366 /nfs/dbraw/zinc/20/03/66/582200366.db2.gz XWXMTIVQCYDUOU-SFYZADRCSA-N -1 0 266.257 -1.021 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000831077252 582200369 /nfs/dbraw/zinc/20/03/69/582200369.db2.gz XWXMTIVQCYDUOU-HTQZYQBOSA-N -1 0 266.257 -1.021 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCNC(=O)C1 ZINC000831091622 582200425 /nfs/dbraw/zinc/20/04/25/582200425.db2.gz JCGSXFJYQVINNX-VIFPVBQESA-N -1 0 295.299 -1.867 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831097916 582200435 /nfs/dbraw/zinc/20/04/35/582200435.db2.gz YPWRKCOXAJRHKB-QMMMGPOBSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NC(N)=O ZINC000831091289 582200439 /nfs/dbraw/zinc/20/04/39/582200439.db2.gz AOFLEWVOSDTWSX-ZCFIWIBFSA-N -1 0 255.234 -1.631 20 30 CAEDRM N#CCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1 ZINC000831102830 582200441 /nfs/dbraw/zinc/20/04/41/582200441.db2.gz VWXPHZGMPYPWSC-UWVGGRQHSA-N -1 0 282.300 -1.233 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cnnn1 ZINC000831087870 582200445 /nfs/dbraw/zinc/20/04/45/582200445.db2.gz SKIPZDDYUKHLLD-ZETCQYMHSA-N -1 0 265.233 -1.613 20 30 CAEDRM N#CCNC(=O)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000831102378 582200447 /nfs/dbraw/zinc/20/04/47/582200447.db2.gz IRAXDFYAOPHHCW-QMMMGPOBSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000831102275 582200450 /nfs/dbraw/zinc/20/04/50/582200450.db2.gz FDMOGSSMMMDHLH-ZETCQYMHSA-N -1 0 271.229 -1.452 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000831097557 582200451 /nfs/dbraw/zinc/20/04/51/582200451.db2.gz LCYSSXUFQWUCOV-MRVPVSSYSA-N -1 0 285.256 -1.062 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000831097915 582200462 /nfs/dbraw/zinc/20/04/62/582200462.db2.gz YPWRKCOXAJRHKB-MRVPVSSYSA-N -1 0 285.256 -1.062 20 30 CAEDRM COC(=O)CCNC(=O)CN(CC#N)CC(=O)[O-] ZINC000831159967 582200686 /nfs/dbraw/zinc/20/06/86/582200686.db2.gz KZPPEFZETBGCNJ-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM N#Cc1ncn(CC(=O)NCCCNC(=O)[O-])n1 ZINC000831161582 582200720 /nfs/dbraw/zinc/20/07/20/582200720.db2.gz FKCOWDXYIABFOZ-UHFFFAOYSA-N -1 0 252.234 -1.076 20 30 CAEDRM N#Cc1ncn(CC(=O)NC2CN(C(=O)[O-])C2)n1 ZINC000831161830 582200773 /nfs/dbraw/zinc/20/07/73/582200773.db2.gz NLBWZCLTSRFVJC-UHFFFAOYSA-N -1 0 250.218 -1.372 20 30 CAEDRM COC(=O)CNC(=O)CCN(CC#N)CC(=O)[O-] ZINC000831176360 582201098 /nfs/dbraw/zinc/20/10/98/582201098.db2.gz ZASIVWXVBKWFRX-UHFFFAOYSA-N -1 0 257.246 -1.424 20 30 CAEDRM C#C[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867340564 582215717 /nfs/dbraw/zinc/21/57/17/582215717.db2.gz BCXVCAWSIJTMPP-JKYUHCHBSA-N -1 0 254.333 -1.067 20 30 CAEDRM N#Cc1ncn(CC(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000833078350 582205394 /nfs/dbraw/zinc/20/53/94/582205394.db2.gz HRCWEXISHCVIEX-SSDOTTSWSA-N -1 0 265.229 -1.538 20 30 CAEDRM N#CCN(CCCN1C(=O)CNC1=O)CC(=O)[O-] ZINC000833066745 582205437 /nfs/dbraw/zinc/20/54/37/582205437.db2.gz GUHXJFASTWRLPZ-UHFFFAOYSA-N -1 0 254.246 -1.162 20 30 CAEDRM C#CCOCCNS(=O)(=O)N(C)CCC(=O)[O-] ZINC000833366067 582205924 /nfs/dbraw/zinc/20/59/24/582205924.db2.gz DVCPNNQYJSHRQH-UHFFFAOYSA-N -1 0 264.303 -1.123 20 30 CAEDRM C#CCOCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833365996 582205933 /nfs/dbraw/zinc/20/59/33/582205933.db2.gz ATUUDJDCQNMXHZ-UHFFFAOYSA-N -1 0 287.297 -1.104 20 30 CAEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)C(=O)[O-])C1=O ZINC000833375996 582205986 /nfs/dbraw/zinc/20/59/86/582205986.db2.gz KRTKKDUASWKCNO-LURJTMIESA-N -1 0 299.239 -2.475 20 30 CAEDRM C=CCNC(=O)NC(=O)CN[C@]1(C(=O)[O-])CCOC1 ZINC000833376368 582205992 /nfs/dbraw/zinc/20/59/92/582205992.db2.gz CBFQHWYEIHOLRP-LLVKDONJSA-N -1 0 271.273 -1.169 20 30 CAEDRM C=CCNC(=O)CNC(=O)NC1CN(C(=O)[O-])C1 ZINC000833377030 582206114 /nfs/dbraw/zinc/20/61/14/582206114.db2.gz KKLVBHZPHPPCAR-UHFFFAOYSA-N -1 0 256.262 -1.050 20 30 CAEDRM N#C[C@@H](NC(=O)CNC(=O)CNC(=O)[O-])C1CC1 ZINC000833959696 582207649 /nfs/dbraw/zinc/20/76/49/582207649.db2.gz BZLSSUAGQYIXES-SSDOTTSWSA-N -1 0 254.246 -1.211 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)[O-])CCO1 ZINC000833965395 582207806 /nfs/dbraw/zinc/20/78/06/582207806.db2.gz AFJHWWHIGQBAAN-RNFRBKRXSA-N -1 0 270.245 -1.751 20 30 CAEDRM N#C[C@H]1CSCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833966528 582207830 /nfs/dbraw/zinc/20/78/30/582207830.db2.gz LQLWWMVMWUUGSN-ZETCQYMHSA-N -1 0 286.313 -1.162 20 30 CAEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCNC(N)=O ZINC000833968571 582207832 /nfs/dbraw/zinc/20/78/32/582207832.db2.gz WKGXZHLUVHGALU-SSDOTTSWSA-N -1 0 269.261 -1.241 20 30 CAEDRM N#C[C@@]1(NC(=O)CNC(=O)CNC(=O)[O-])CCSC1 ZINC000833964136 582207836 /nfs/dbraw/zinc/20/78/36/582207836.db2.gz ZXICBAQNFDVURR-JTQLQIEISA-N -1 0 286.313 -1.114 20 30 CAEDRM N#CCN1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833966624 582207847 /nfs/dbraw/zinc/20/78/47/582207847.db2.gz IQPGISRYGCXNCH-UHFFFAOYSA-N -1 0 283.288 -1.962 20 30 CAEDRM N#CCN1CCC(NC(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833967517 582207852 /nfs/dbraw/zinc/20/78/52/582207852.db2.gz RRDLFGYTCRKZSK-UHFFFAOYSA-N -1 0 297.315 -1.526 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)CNC(=O)CNC(=O)[O-] ZINC000833966063 582207853 /nfs/dbraw/zinc/20/78/53/582207853.db2.gz HBDPJZGFWTWYEK-SSDOTTSWSA-N -1 0 270.245 -1.879 20 30 CAEDRM N#C[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[O-])CCO1 ZINC000833965392 582207854 /nfs/dbraw/zinc/20/78/54/582207854.db2.gz AFJHWWHIGQBAAN-BQBZGAKWSA-N -1 0 270.245 -1.751 20 30 CAEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000833968857 582207858 /nfs/dbraw/zinc/20/78/58/582207858.db2.gz YKLNLPXGRAFNJQ-BQBZGAKWSA-N -1 0 295.255 -1.701 20 30 CAEDRM O=C([O-])N[C@H]1CCCC1N=NC1=NC(=O)C(=O)N1 ZINC000834170120 582209093 /nfs/dbraw/zinc/20/90/93/582209093.db2.gz RXQBTUQXGDOFEV-BYPYZUCNSA-N -1 0 253.218 -1.236 20 30 CAEDRM C=C[C@@](C)(O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000834324893 582210382 /nfs/dbraw/zinc/21/03/82/582210382.db2.gz MTMIBGFQVQLEHH-SECBINFHSA-N -1 0 264.303 -1.495 20 30 CAEDRM C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(=O)OC)nn1 ZINC000842713797 582213140 /nfs/dbraw/zinc/21/31/40/582213140.db2.gz FJAOPECWMGOVCA-UHFFFAOYSA-N -1 0 288.285 -1.303 20 30 CAEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCCO)cc1 ZINC000843859164 582215200 /nfs/dbraw/zinc/21/52/00/582215200.db2.gz NRBXQTWFYLLPOM-UHFFFAOYSA-N -1 0 299.308 -1.123 20 30 CAEDRM C#C[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867340566 582215705 /nfs/dbraw/zinc/21/57/05/582215705.db2.gz BCXVCAWSIJTMPP-UOWDBTKRSA-N -1 0 254.333 -1.067 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000844791128 582217204 /nfs/dbraw/zinc/21/72/04/582217204.db2.gz FWXBJMNHLXUKDH-IWSPIJDZSA-N -1 0 291.329 -1.158 20 30 CAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000844794282 582217229 /nfs/dbraw/zinc/21/72/29/582217229.db2.gz FWXBJMNHLXUKDH-HLTSFMKQSA-N -1 0 291.329 -1.158 20 30 CAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000844794961 582217272 /nfs/dbraw/zinc/21/72/72/582217272.db2.gz KPIPKGJACKTNBM-YIZRAAEISA-N -1 0 291.329 -1.015 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000846119031 582221188 /nfs/dbraw/zinc/22/11/88/582221188.db2.gz VVASCSJWPGLMQC-SSDOTTSWSA-N -1 0 262.287 -1.223 20 30 CAEDRM C#CCCS(=O)(=O)[N-]C(=O)Cn1nc(C)n(C)c1=O ZINC000847698545 582224756 /nfs/dbraw/zinc/22/47/56/582224756.db2.gz CYFWTQOTYINEBO-UHFFFAOYSA-N -1 0 286.313 -1.640 20 30 CAEDRM C#CCCCS(=O)(=O)N[C@@]1(C(N)=O)CCOC1 ZINC000848503769 582226528 /nfs/dbraw/zinc/22/65/28/582226528.db2.gz PJBUWIDQAOYPAK-JTQLQIEISA-N -1 0 260.315 -1.036 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848608528 582226603 /nfs/dbraw/zinc/22/66/03/582226603.db2.gz AHGUIMKRBAPQAQ-RKDXNWHRSA-N -1 0 268.269 -1.316 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000849219213 582227596 /nfs/dbraw/zinc/22/75/96/582227596.db2.gz NTFJZKPXVZANKN-QMMMGPOBSA-N -1 0 276.314 -1.187 20 30 CAEDRM C#CCN(CC(=O)[O-])S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000849219212 582227620 /nfs/dbraw/zinc/22/76/20/582227620.db2.gz NTFJZKPXVZANKN-MRVPVSSYSA-N -1 0 276.314 -1.187 20 30 CAEDRM C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000855602991 582237765 /nfs/dbraw/zinc/23/77/65/582237765.db2.gz IMCDKEYGCNHJPP-JTQLQIEISA-N -1 0 267.285 -1.206 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)CN1CC(=O)N(C)C1=O ZINC000860720821 582243223 /nfs/dbraw/zinc/24/32/23/582243223.db2.gz OPWVNLYCVNCJDT-UHFFFAOYSA-N -1 0 287.297 -1.650 20 30 CAEDRM C#CC[C@H](COC)NC(=O)C(=O)[N-]OCCOC ZINC000875603144 582261622 /nfs/dbraw/zinc/26/16/22/582261622.db2.gz RTUWJOIEBSUXBA-SECBINFHSA-N -1 0 258.274 -1.165 20 30 CAEDRM Cn1c(=O)c(C#N)c(N2CC[C@@H](C(=O)[O-])C2)n(C)c1=O ZINC000262090898 596900832 /nfs/dbraw/zinc/90/08/32/596900832.db2.gz GWIKMWGHYAXOMX-SSDOTTSWSA-N -1 0 278.268 -1.133 20 30 CAEDRM N#CCNC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071244445 599923445 /nfs/dbraw/zinc/92/34/45/599923445.db2.gz QUSLRZQRMVQCHM-ZETCQYMHSA-N -1 0 254.246 -2.099 20 30 CAEDRM N#CCNC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000071244436 599923633 /nfs/dbraw/zinc/92/36/33/599923633.db2.gz QUSLRZQRMVQCHM-SSDOTTSWSA-N -1 0 254.246 -2.099 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000043703992 599976277 /nfs/dbraw/zinc/97/62/77/599976277.db2.gz OJEDVQNFEHSRDU-MRVPVSSYSA-N -1 0 271.273 -1.216 20 30 CAEDRM C#CCNC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071248218 600041939 /nfs/dbraw/zinc/04/19/39/600041939.db2.gz DCLXCOLBFHWXOB-QMMMGPOBSA-N -1 0 253.258 -1.989 20 30 CAEDRM C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000229087268 600138043 /nfs/dbraw/zinc/13/80/43/600138043.db2.gz AYTPLHSLVMHIEE-SFYZADRCSA-N -1 0 271.273 -1.482 20 30 CAEDRM N#CCNC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC000739085284 600147171 /nfs/dbraw/zinc/14/71/71/600147171.db2.gz DVHPYUZKKFAONM-UHFFFAOYSA-N -1 0 284.316 -1.655 20 30 CAEDRM N#CCCCS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000739072641 600339770 /nfs/dbraw/zinc/33/97/70/600339770.db2.gz KWBPPRJRYVKILW-MRVPVSSYSA-N -1 0 289.313 -1.105 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CCn1cc[nH]c(=O)c1=O ZINC000739077079 600407347 /nfs/dbraw/zinc/40/73/47/600407347.db2.gz HFNWBYHAJIGYAE-UHFFFAOYSA-N -1 0 280.240 -1.637 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CN1CCCNC1=O ZINC000739076695 600401940 /nfs/dbraw/zinc/40/19/40/600401940.db2.gz CITNGITWEPAQLS-UHFFFAOYSA-N -1 0 254.246 -1.162 20 30 CAEDRM N#CCN(CC(=O)[O-])C(=O)CCCN1C(=O)CNC1=O ZINC000739077535 600406039 /nfs/dbraw/zinc/40/60/39/600406039.db2.gz PQGICTICJFOSIH-UHFFFAOYSA-N -1 0 282.256 -1.245 20 30 CAEDRM CN(CC(=O)NCC#N)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739625440 602678890 /nfs/dbraw/zinc/67/88/90/602678890.db2.gz YJKCWRUMWXQYND-UHFFFAOYSA-N -1 0 297.315 -1.620 20 30 CAEDRM C#CCCNC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738456891 603004876 /nfs/dbraw/zinc/00/48/76/603004876.db2.gz DTYCWSOPQDUPAM-UHFFFAOYSA-N -1 0 253.258 -1.052 20 30 CAEDRM CN(CC#N)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739617006 603021095 /nfs/dbraw/zinc/02/10/95/603021095.db2.gz LAQKQERPCMPINZ-UHFFFAOYSA-N -1 0 254.246 -1.209 20 30 CAEDRM N#C[C@H]1CN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CCO1 ZINC000740308496 603026806 /nfs/dbraw/zinc/02/68/06/603026806.db2.gz ZCBOTGLLMCONFK-VIFPVBQESA-N -1 0 296.283 -1.440 20 30 CAEDRM N#Cc1cnn(C(=O)CN2CCN(C(=O)[O-])CC2=O)c1N ZINC000740325367 603101504 /nfs/dbraw/zinc/10/15/04/603101504.db2.gz VFGNTRXCPRIGHP-UHFFFAOYSA-N -1 0 292.255 -1.201 20 30 CAEDRM C#CCNC(=O)COC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000738462819 603110457 /nfs/dbraw/zinc/11/04/57/603110457.db2.gz BLFPOLZFUZDKBS-UHFFFAOYSA-N -1 0 297.267 -1.899 20 30 CAEDRM CNC(=O)[C@@H](C#N)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739742649 603143079 /nfs/dbraw/zinc/14/30/79/603143079.db2.gz KRGBXKVKTBPQAO-ZETCQYMHSA-N -1 0 282.256 -1.737 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738462792 603144013 /nfs/dbraw/zinc/14/40/13/603144013.db2.gz AXVIGSPJVWLMBQ-HTQZYQBOSA-N -1 0 270.241 -1.608 20 30 CAEDRM C#CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000738462796 603144024 /nfs/dbraw/zinc/14/40/24/603144024.db2.gz AXVIGSPJVWLMBQ-SFYZADRCSA-N -1 0 270.241 -1.608 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740307950 603156874 /nfs/dbraw/zinc/15/68/74/603156874.db2.gz DLZNFYWOXWGYCJ-HTQZYQBOSA-N -1 0 285.256 -1.327 20 30 CAEDRM N#CCCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740307955 603156950 /nfs/dbraw/zinc/15/69/50/603156950.db2.gz DLZNFYWOXWGYCJ-SFYZADRCSA-N -1 0 285.256 -1.327 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740305555 603159894 /nfs/dbraw/zinc/15/98/94/603159894.db2.gz OLMKIFAOBIPWGM-RQJHMYQMSA-N -1 0 271.229 -1.717 20 30 CAEDRM N#CCNC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740305554 603159925 /nfs/dbraw/zinc/15/99/25/603159925.db2.gz OLMKIFAOBIPWGM-RNFRBKRXSA-N -1 0 271.229 -1.717 20 30 CAEDRM Cn1c(NC2CN(C(=O)[O-])C2)c(C#N)c(=O)n(C)c1=O ZINC000740281851 604636712 /nfs/dbraw/zinc/63/67/12/604636712.db2.gz JMIDAXKKBBELRB-UHFFFAOYSA-N -1 0 279.256 -1.270 20 30 CAEDRM CN(CC#N)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000971866263 616041980 /nfs/dbraw/zinc/04/19/80/616041980.db2.gz BOQXMBFZHILBLU-ZETCQYMHSA-N -1 0 278.272 -1.047 20 30 CAEDRM C=CCN1CC(CCO)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001276062150 782188203 /nfs/dbraw/zinc/18/82/03/782188203.db2.gz HFBAJJAIVBYUJU-UHFFFAOYSA-N -1 0 295.299 -1.365 20 30 CAEDRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CC#N)C1 ZINC000970058766 656006742 /nfs/dbraw/zinc/00/67/42/656006742.db2.gz IPZYTDKEUJNBNZ-LURJTMIESA-N -1 0 278.272 -1.144 20 30 CAEDRM O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024544580 656053215 /nfs/dbraw/zinc/05/32/15/656053215.db2.gz BONQVTDZDFOQCK-GHMZBOCLSA-N -1 0 289.295 -1.480 20 30 CAEDRM N#CCN1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000981556723 656105582 /nfs/dbraw/zinc/10/55/82/656105582.db2.gz NHWGGEMSNSTFOQ-UHFFFAOYSA-N -1 0 278.272 -1.046 20 30 CAEDRM C=CCN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)N(C)C ZINC000909516736 656128165 /nfs/dbraw/zinc/12/81/65/656128165.db2.gz PDYIGNKLWVQKQT-UHFFFAOYSA-N -1 0 293.345 -1.176 20 30 CAEDRM C[C@H]1[C@H](NCC#N)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987423118 656140052 /nfs/dbraw/zinc/14/00/52/656140052.db2.gz UVBXBBNNPWWBNO-JGVFFNPUSA-N -1 0 280.288 -1.208 20 30 CAEDRM C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000987423119 656140258 /nfs/dbraw/zinc/14/02/58/656140258.db2.gz UVBXBBNNPWWBNO-SFYZADRCSA-N -1 0 280.288 -1.208 20 30 CAEDRM C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989122397 656147604 /nfs/dbraw/zinc/14/76/04/656147604.db2.gz YFHCCVNXZFWFBJ-RQJHMYQMSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC000989122388 656147877 /nfs/dbraw/zinc/14/78/77/656147877.db2.gz YFHCCVNXZFWFBJ-RNFRBKRXSA-N -1 0 278.272 -1.001 20 30 CAEDRM C[C@@H]1C[C@H](NCC#N)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989722779 656152248 /nfs/dbraw/zinc/15/22/48/656152248.db2.gz LYNMNXAZTKDWRY-SFYZADRCSA-N -1 0 280.288 -1.208 20 30 CAEDRM C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000989722778 656152338 /nfs/dbraw/zinc/15/23/38/656152338.db2.gz LYNMNXAZTKDWRY-JGVFFNPUSA-N -1 0 280.288 -1.208 20 30 CAEDRM CO[N-]C(=O)CNC(=O)N1CCN(CCC#N)CC1 ZINC000927220006 656164024 /nfs/dbraw/zinc/16/40/24/656164024.db2.gz NLFVQBPTBWPYQT-UHFFFAOYSA-N -1 0 269.305 -1.095 20 30 CAEDRM C#CCSCC(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000907683395 656201211 /nfs/dbraw/zinc/20/12/11/656201211.db2.gz ITEKBQULMUBINP-UHFFFAOYSA-N -1 0 278.355 -1.065 20 30 CAEDRM CC#CCN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030779380 656326513 /nfs/dbraw/zinc/32/65/13/656326513.db2.gz XCKLMAUKXGXEBK-UHFFFAOYSA-N -1 0 276.296 -1.077 20 30 CAEDRM C#CCCN1CC(NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001030779992 656326914 /nfs/dbraw/zinc/32/69/14/656326914.db2.gz OHMJJJMRRLGEJQ-UHFFFAOYSA-N -1 0 276.296 -1.077 20 30 CAEDRM N#CCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001031316881 656364414 /nfs/dbraw/zinc/36/44/14/656364414.db2.gz SCTKCBOWKDKTPC-UHFFFAOYSA-N -1 0 252.234 -1.987 20 30 CAEDRM CC#CCN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031815935 656394734 /nfs/dbraw/zinc/39/47/34/656394734.db2.gz QRMMHFRBEOKHPH-UHFFFAOYSA-N -1 0 277.284 -1.032 20 30 CAEDRM N#CCN1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001031817635 656395366 /nfs/dbraw/zinc/39/53/66/656395366.db2.gz MMTWRBPXTKYQRU-UHFFFAOYSA-N -1 0 264.245 -1.532 20 30 CAEDRM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1NCC#N ZINC000939625157 656397266 /nfs/dbraw/zinc/39/72/66/656397266.db2.gz BDVVMYIOOXSBBR-SFYZADRCSA-N -1 0 280.288 -1.351 20 30 CAEDRM C[C@H](C#N)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745360 656494579 /nfs/dbraw/zinc/49/45/79/656494579.db2.gz NPMPLONJKQUWIO-RXMQYKEDSA-N -1 0 292.255 -1.617 20 30 CAEDRM C[C@@H](C#N)C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000996745362 656494600 /nfs/dbraw/zinc/49/46/00/656494600.db2.gz NPMPLONJKQUWIO-YFKPBYRVSA-N -1 0 292.255 -1.617 20 30 CAEDRM C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001032755009 656601936 /nfs/dbraw/zinc/60/19/36/656601936.db2.gz ZTMQGGFJSODIES-IUCAKERBSA-N -1 0 277.284 -1.392 20 30 CAEDRM N#CCN[C@H]1CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001000791625 656612581 /nfs/dbraw/zinc/61/25/81/656612581.db2.gz XSCZSCGEVKGQDA-QMMMGPOBSA-N -1 0 280.288 -1.207 20 30 CAEDRM N#CCN1CCC(NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001004051434 656672557 /nfs/dbraw/zinc/67/25/57/656672557.db2.gz XRCCPUGMFZQMLX-UHFFFAOYSA-N -1 0 280.288 -1.207 20 30 CAEDRM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(CC#N)C1 ZINC001033230490 656698958 /nfs/dbraw/zinc/69/89/58/656698958.db2.gz PSQCDXSEVCRQSS-SSDOTTSWSA-N -1 0 278.272 -1.047 20 30 CAEDRM C#CCN1CCO[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001035436555 656766903 /nfs/dbraw/zinc/76/69/03/656766903.db2.gz RAFVDNFCXLXNNJ-QMMMGPOBSA-N -1 0 293.283 -1.653 20 30 CAEDRM C#C[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000193515876 656887853 /nfs/dbraw/zinc/88/78/53/656887853.db2.gz VVBSLMQJDKEXAF-LURJTMIESA-N -1 0 294.292 -1.089 20 30 CAEDRM N#CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC000957465105 656920702 /nfs/dbraw/zinc/92/07/02/656920702.db2.gz YHKVLQUZBYWSKC-UHFFFAOYSA-N -1 0 266.261 -1.643 20 30 CAEDRM Cc1n[nH]c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1[O-] ZINC000957974629 656939093 /nfs/dbraw/zinc/93/90/93/656939093.db2.gz HDBOFHYCQANVKE-DTWKUNHWSA-N -1 0 279.300 -1.030 20 30 CAEDRM N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000960836046 657000078 /nfs/dbraw/zinc/00/00/78/657000078.db2.gz IDMWABBCKKDLEO-ZMONIFLSSA-N -1 0 276.256 -1.534 20 30 CAEDRM N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000962414820 657020085 /nfs/dbraw/zinc/02/00/85/657020085.db2.gz MOUASTGQNQFHCQ-QMSLJYSESA-N -1 0 278.272 -1.741 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110991 657160438 /nfs/dbraw/zinc/16/04/38/657160438.db2.gz ZWCUTNKWEYOTFL-SSDOTTSWSA-N -1 0 263.257 -1.280 20 30 CAEDRM C#CCN1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110185 657199028 /nfs/dbraw/zinc/19/90/28/657199028.db2.gz IUQJIKGPENDMGZ-MRVPVSSYSA-N -1 0 265.273 -1.487 20 30 CAEDRM N#CCN[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001019095042 657254535 /nfs/dbraw/zinc/25/45/35/657254535.db2.gz ZPHGVIBVCCJVMI-LURJTMIESA-N -1 0 264.245 -1.390 20 30 CAEDRM C=C[C@H](O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC001588453297 958434409 /nfs/dbraw/zinc/43/44/09/958434409.db2.gz WYNQMYXIQZOPAL-APPZFPTMSA-N -1 0 258.274 -1.029 20 30 CAEDRM N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)C2 ZINC001096438645 782520383 /nfs/dbraw/zinc/52/03/83/782520383.db2.gz YOKXSLYSMUNSCJ-VGMNWLOBSA-N -1 0 292.299 -1.066 20 30 CAEDRM CNC(=O)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001141425961 779742184 /nfs/dbraw/zinc/74/21/84/779742184.db2.gz JTSKRMURGPNHRR-UHFFFAOYSA-N -1 0 265.229 -2.317 20 30 CAEDRM C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)c1ccn(C)n1 ZINC001259947327 780644361 /nfs/dbraw/zinc/64/43/61/780644361.db2.gz JKDRRZMNYVOOLX-XPUUQOCRSA-N -1 0 274.302 -1.066 20 30 CAEDRM C#CCOC[C@@H](O)CN[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001251884616 780578777 /nfs/dbraw/zinc/57/87/77/780578777.db2.gz CKXNLXJBFOUORP-CIUDSAMLSA-N -1 0 292.313 -2.011 20 30 CAEDRM C#CCC[C@H](O)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001256533011 780624893 /nfs/dbraw/zinc/62/48/93/780624893.db2.gz NWAOSQQPVCZMOR-VIFPVBQESA-N -1 0 289.295 -1.038 20 30 CAEDRM CCOC(=O)[C@H](CS)[N-]S(=O)(=O)CC(=O)OC ZINC001259028798 780638153 /nfs/dbraw/zinc/63/81/53/780638153.db2.gz RPZOPCGGWGFLRL-LURJTMIESA-N -1 0 285.343 -1.060 20 30 CAEDRM COC(=O)CS(=O)(=O)[N-][C@@H](CS)C(=O)OC ZINC001259029549 780638230 /nfs/dbraw/zinc/63/82/30/780638230.db2.gz WCSQVHCKJUJZCR-YFKPBYRVSA-N -1 0 271.316 -1.450 20 30 CAEDRM CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260595922 780654225 /nfs/dbraw/zinc/65/42/25/780654225.db2.gz QKUUASIVLVGRQZ-LURJTMIESA-N -1 0 284.315 -1.637 20 30 CAEDRM CC(=O)N[C@@H](CS)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001144417017 781454627 /nfs/dbraw/zinc/45/46/27/781454627.db2.gz BOJVVFXYCBGEMU-FFWSUHOLSA-N -1 0 277.327 -1.154 20 30 CAEDRM CC(=O)N[C@@H](CS)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001144417275 781454973 /nfs/dbraw/zinc/45/49/73/781454973.db2.gz NNMIFDDROQTWOV-YFKPBYRVSA-N -1 0 259.291 -1.439 20 30 CAEDRM N=C(c1nonc1N)N([O-])C(=O)c1ncc[nH]c1=O ZINC001191502470 781912158 /nfs/dbraw/zinc/91/21/58/781912158.db2.gz OWHIDLASMVWSII-UHFFFAOYSA-N -1 0 265.189 -1.408 20 30 CAEDRM C=CCN1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051010691 782685251 /nfs/dbraw/zinc/68/52/51/782685251.db2.gz XDGWOIXIRDHVDR-QMMMGPOBSA-N -1 0 295.299 -1.101 20 30 CAEDRM N#CCN1CCOC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001051009972 782684751 /nfs/dbraw/zinc/68/47/51/782684751.db2.gz OFMIEGJZJJLAOR-ZETCQYMHSA-N -1 0 294.271 -1.763 20 30 CAEDRM N#CCN1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001072897943 782786522 /nfs/dbraw/zinc/78/65/22/782786522.db2.gz ABCKVLFBWGARPV-UHFFFAOYSA-N -1 0 290.283 -1.046 20 30 CAEDRM C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001102530942 782871906 /nfs/dbraw/zinc/87/19/06/782871906.db2.gz SSDSPXADXHOORW-RKDXNWHRSA-N -1 0 294.315 -1.103 20 30 CAEDRM C#CCNC(=O)c1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O ZINC001116531174 782900794 /nfs/dbraw/zinc/90/07/94/782900794.db2.gz DFFTVZMHOJTEID-UWVGGRQHSA-N -1 0 297.336 -1.243 20 30 CAEDRM N#Cc1c(N)nc(=NC2CC2)n(C(=O)C(=O)[O-])c1N ZINC001143409186 775182388 /nfs/dbraw/zinc/18/23/88/775182388.db2.gz IVEUEELSQXPMNH-UHFFFAOYSA-N -1 0 262.229 -1.293 20 30 CAEDRM N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N2)c(=O)[n-]c1=O ZINC001167523651 775200205 /nfs/dbraw/zinc/20/02/05/775200205.db2.gz MXMAWTUEOLJNNN-ZETCQYMHSA-N -1 0 277.240 -2.175 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001161393024 775201781 /nfs/dbraw/zinc/20/17/81/775201781.db2.gz LPZAARWLQCPQND-SNVBAGLBSA-N -1 0 288.263 -1.319 20 30 CAEDRM CN(CCC#N)S(=O)(=O)N[C@@H](CO)C(=O)[O-] ZINC000309405830 775257720 /nfs/dbraw/zinc/25/77/20/775257720.db2.gz XCQVJVWMZUPUNN-LURJTMIESA-N -1 0 251.264 -1.888 20 30 CAEDRM N#CCN1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001267651597 775280756 /nfs/dbraw/zinc/28/07/56/775280756.db2.gz PXPNWIMRNDWPGG-UHFFFAOYSA-N -1 0 278.272 -1.461 20 30 CAEDRM C[C@@H](CNCC#N)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001268073385 775372281 /nfs/dbraw/zinc/37/22/81/775372281.db2.gz VRDOKSCRGYPYBE-LURJTMIESA-N -1 0 266.261 -1.144 20 30 CAEDRM C#CC(=O)N1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1 ZINC001268850896 775476592 /nfs/dbraw/zinc/47/65/92/775476592.db2.gz FHIFCGAOBRPNPV-NKWVEPMBSA-N -1 0 289.255 -2.583 20 30 CAEDRM N#CCN1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001269261992 775500587 /nfs/dbraw/zinc/50/05/87/775500587.db2.gz XEPPLGHIVAQNBC-QMMMGPOBSA-N -1 0 292.299 -1.071 20 30 CAEDRM C#CCN1CC2(CN(C(=O)Cc3nnn[n-]3)C2)OCC1=O ZINC001269576414 775513336 /nfs/dbraw/zinc/51/33/36/775513336.db2.gz KXOXJBIYXOHCAS-UHFFFAOYSA-N -1 0 290.283 -2.185 20 30 CAEDRM N#CCCN1CC(Oc2c([O-])c(=O)c(=O)c2=O)C1 ZINC001225831464 775520924 /nfs/dbraw/zinc/52/09/24/775520924.db2.gz UYTKPODCROMIOY-UHFFFAOYSA-N -1 0 250.210 -1.675 20 30 CAEDRM Cc1n[nH]c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1[O-] ZINC001083409898 775548394 /nfs/dbraw/zinc/54/83/94/775548394.db2.gz MFFQAOBTPFZBBR-SFYZADRCSA-N -1 0 265.273 -1.278 20 30 CAEDRM C#CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001083409607 775548703 /nfs/dbraw/zinc/54/87/03/775548703.db2.gz APZOMZXBLQOBSF-BDAKNGLRSA-N -1 0 264.285 -1.168 20 30 CAEDRM C=CCOCC(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001271263213 775597044 /nfs/dbraw/zinc/59/70/44/775597044.db2.gz VTQVWUFOWCGXOC-UHFFFAOYSA-N -1 0 297.315 -1.624 20 30 CAEDRM CC#CCN1CC(O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001271380227 775605963 /nfs/dbraw/zinc/60/59/63/775605963.db2.gz IMNQVSAJDRDCRE-UHFFFAOYSA-N -1 0 295.299 -2.125 20 30 CAEDRM C=C(C)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001142508422 775684420 /nfs/dbraw/zinc/68/44/20/775684420.db2.gz XYSHCJFRFNJTRK-UHFFFAOYSA-N -1 0 289.273 -1.075 20 30 CAEDRM C#CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001076889935 775771516 /nfs/dbraw/zinc/77/15/16/775771516.db2.gz APZOMZXBLQOBSF-RKDXNWHRSA-N -1 0 264.285 -1.168 20 30 CAEDRM N#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001077309891 775815604 /nfs/dbraw/zinc/81/56/04/775815604.db2.gz LLCLHYHTZGHCPW-PHDIDXHHSA-N -1 0 280.244 -2.419 20 30 CAEDRM N#CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001083606708 775833436 /nfs/dbraw/zinc/83/34/36/775833436.db2.gz LLCLHYHTZGHCPW-RITPCOANSA-N -1 0 280.244 -2.419 20 30 CAEDRM C#CCN1CC2(CN(C(=O)c3cc(=O)[nH][n-]3)C2)OCC1=O ZINC001272282369 775887883 /nfs/dbraw/zinc/88/78/83/775887883.db2.gz BUUOFDLIDKVYPI-UHFFFAOYSA-N -1 0 290.279 -1.198 20 30 CAEDRM N#C[C@H]1CC[C@@H](Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C1 ZINC001234374110 775945246 /nfs/dbraw/zinc/94/52/46/775945246.db2.gz UKJFVYCUULJICU-NTSWFWBYSA-N -1 0 263.205 -1.220 20 30 CAEDRM CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001078086076 776117153 /nfs/dbraw/zinc/11/71/53/776117153.db2.gz PEFKKVBXOGQIOF-RKDXNWHRSA-N -1 0 295.299 -2.126 20 30 CAEDRM C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080051415 776319117 /nfs/dbraw/zinc/31/91/17/776319117.db2.gz UMOXNXQKKPLTTF-RNFRBKRXSA-N -1 0 278.272 -1.144 20 30 CAEDRM C=CCOCCNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001118565629 776337752 /nfs/dbraw/zinc/33/77/52/776337752.db2.gz PRQGSLQKBZZZMJ-UHFFFAOYSA-N -1 0 273.289 -1.511 20 30 CAEDRM CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899265 776398524 /nfs/dbraw/zinc/39/85/24/776398524.db2.gz JJLRFZNGWFKFKP-RNFRBKRXSA-N -1 0 294.271 -1.765 20 30 CAEDRM C#CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001081899354 776399104 /nfs/dbraw/zinc/39/91/04/776399104.db2.gz NVZCVFXBPNCRSP-HTQZYQBOSA-N -1 0 293.283 -1.655 20 30 CAEDRM C#CCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001082344653 776413085 /nfs/dbraw/zinc/41/30/85/776413085.db2.gz YGINGYKSMZZFFV-RKDXNWHRSA-N -1 0 295.299 -1.862 20 30 CAEDRM N#CCN1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001090389815 776427041 /nfs/dbraw/zinc/42/70/41/776427041.db2.gz ZSNJYHMJHXSRQV-APPZFPTMSA-N -1 0 250.262 -1.507 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001090389822 776427407 /nfs/dbraw/zinc/42/74/07/776427407.db2.gz ZSNJYHMJHXSRQV-CBAPKCEASA-N -1 0 250.262 -1.507 20 30 CAEDRM CC#CCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001084000783 776442737 /nfs/dbraw/zinc/44/27/37/776442737.db2.gz PEFKKVBXOGQIOF-BDAKNGLRSA-N -1 0 295.299 -2.126 20 30 CAEDRM C=CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001090400345 776466846 /nfs/dbraw/zinc/46/68/46/776466846.db2.gz UVPSXTILXXTTOI-JGVFFNPUSA-N -1 0 295.299 -1.366 20 30 CAEDRM N#C[C@@H](Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)C(N)=O ZINC001170537218 776683497 /nfs/dbraw/zinc/68/34/97/776683497.db2.gz UCEPQKJAOUHKJX-SSDOTTSWSA-N -1 0 280.265 -1.092 20 30 CAEDRM CS(=O)(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC000107881207 776836019 /nfs/dbraw/zinc/83/60/19/776836019.db2.gz KIKRLYOMSNPDPA-UHFFFAOYSA-N -1 0 258.259 -2.043 20 30 CAEDRM COC[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001295196103 778074704 /nfs/dbraw/zinc/07/47/04/778074704.db2.gz RBYDEGQQTSWTTE-SSDOTTSWSA-N -1 0 266.257 -1.028 20 30 CAEDRM N#Cc1cn(CC(=O)N2CCCCN2)c(=O)[n-]c1=O ZINC001297571660 778111237 /nfs/dbraw/zinc/11/12/37/778111237.db2.gz XRVDCWUGOQFINH-UHFFFAOYSA-N -1 0 263.257 -1.052 20 30 CAEDRM C=C(C)CO[N-]C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001300220084 778131489 /nfs/dbraw/zinc/13/14/89/778131489.db2.gz OAUHLSWUIZHVPX-QMMMGPOBSA-N -1 0 268.277 -1.198 20 30 CAEDRM Cc1[nH]c(C=NNC2=NC(=O)C(=O)N2)cc1C(=O)[O-] ZINC001116923459 779518151 /nfs/dbraw/zinc/51/81/51/779518151.db2.gz ASUYDENUFCPEDR-UHFFFAOYSA-N -1 0 263.213 -1.043 20 30 CAEDRM CC#CC[C@H](CO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001118280278 779560243 /nfs/dbraw/zinc/56/02/43/779560243.db2.gz UAYJSTUUSGVBMT-SECBINFHSA-N -1 0 289.295 -1.038 20 30 CAEDRM CC#CCCNC(=O)C(=O)NCC(=O)[N-]OCC ZINC001118365120 779567277 /nfs/dbraw/zinc/56/72/77/779567277.db2.gz FNQJMMCZKNNQNO-UHFFFAOYSA-N -1 0 255.274 -1.300 20 30 CAEDRM Cn1cc(C(=O)N[C@H]2CCCN(O)C2=O)c(=O)[nH]c1=O ZINC001118369257 779567413 /nfs/dbraw/zinc/56/74/13/779567413.db2.gz ZAYCSYCTWMIUCQ-ZETCQYMHSA-N -1 0 282.256 -1.404 20 30 CAEDRM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC001118542821 779574888 /nfs/dbraw/zinc/57/48/88/779574888.db2.gz YQJUQOSMYOPEFB-QMMMGPOBSA-N -1 0 291.329 -1.611 20 30 CAEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC001118542819 779574895 /nfs/dbraw/zinc/57/48/95/779574895.db2.gz YQJUQOSMYOPEFB-MRVPVSSYSA-N -1 0 291.329 -1.611 20 30 CAEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001119398709 779613092 /nfs/dbraw/zinc/61/30/92/779613092.db2.gz ZGYGLFFDLSIZRD-OPRDCNLKSA-N -1 0 280.280 -1.174 20 30 CAEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)c(=O)n1C ZINC001119487679 779615648 /nfs/dbraw/zinc/61/56/48/779615648.db2.gz PCVPPBHNEAYXOS-UHFFFAOYSA-N -1 0 271.298 -1.193 20 30 CAEDRM C#CCOCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001121901935 779652835 /nfs/dbraw/zinc/65/28/35/779652835.db2.gz VMQMXBKJPDOZEW-UHFFFAOYSA-N -1 0 283.284 -1.425 20 30 CAEDRM C=CC[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001139489900 779734544 /nfs/dbraw/zinc/73/45/44/779734544.db2.gz LVFPHOUTEUXURX-VIFPVBQESA-N -1 0 278.268 -1.126 20 30 CAEDRM COC(OC)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001140117672 779737133 /nfs/dbraw/zinc/73/71/33/779737133.db2.gz VPTGHESIFVFGEE-ZETCQYMHSA-N -1 0 296.283 -1.056 20 30 CAEDRM C#C[C@@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001141496028 779742911 /nfs/dbraw/zinc/74/29/11/779742911.db2.gz LGCUYKVMEDCQCR-QMMMGPOBSA-N -1 0 262.225 -2.069 20 30 CAEDRM CC[C@H](CO)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001152386328 779822543 /nfs/dbraw/zinc/82/25/43/779822543.db2.gz ARLNMYIGTFSPST-MRVPVSSYSA-N -1 0 266.257 -1.292 20 30 CAEDRM Cn1c(=O)ccn(CC(=O)[N-]S(C)(=O)=O)c1=O ZINC000048486774 779823176 /nfs/dbraw/zinc/82/31/76/779823176.db2.gz IRQOUIWMPRQAET-UHFFFAOYSA-N -1 0 261.259 -1.537 20 30 CAEDRM C=C(CO)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001154153968 779853697 /nfs/dbraw/zinc/85/36/97/779853697.db2.gz AVYSCIZTNONWHH-UHFFFAOYSA-N -1 0 250.276 -1.883 20 30 CAEDRM C#CCO[C@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC001154154453 779854244 /nfs/dbraw/zinc/85/42/44/779854244.db2.gz INICBRQSDOUSHJ-MRVPVSSYSA-N -1 0 276.314 -1.393 20 30 CAEDRM C[C@@H](CO)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001155495017 779873197 /nfs/dbraw/zinc/87/31/97/779873197.db2.gz SEFVMRRAEOKIOE-ZETCQYMHSA-N -1 0 266.257 -1.340 20 30 CAEDRM C=CCOC[C@@H](NC(=O)CCc1nnn[n-]1)C(=O)OC ZINC001155779585 779876458 /nfs/dbraw/zinc/87/64/58/779876458.db2.gz PWPHTVIWFPQUPH-MRVPVSSYSA-N -1 0 283.288 -1.007 20 30 CAEDRM C=CCOC[C@H](NC(=O)CCc1nnn[n-]1)C(=O)OC ZINC001155779586 779876735 /nfs/dbraw/zinc/87/67/35/779876735.db2.gz PWPHTVIWFPQUPH-QMMMGPOBSA-N -1 0 283.288 -1.007 20 30 CAEDRM C=CCN1CC[C@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1=O ZINC001155858887 779877150 /nfs/dbraw/zinc/87/71/50/779877150.db2.gz RZDMZSVTQVQLJF-QMMMGPOBSA-N -1 0 295.299 -1.065 20 30 CAEDRM N#Cc1ncn(CCNC(=O)CCc2nnn[n-]2)n1 ZINC001157098021 779895037 /nfs/dbraw/zinc/89/50/37/779895037.db2.gz TUCIELLWYQOMQC-UHFFFAOYSA-N -1 0 261.249 -1.588 20 30 CAEDRM COCCN(CC#N)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001160822528 779982346 /nfs/dbraw/zinc/98/23/46/779982346.db2.gz DHMVMXAZSZVVTF-UHFFFAOYSA-N -1 0 255.234 -1.312 20 30 CAEDRM COC[C@@H](CCO)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001162576432 780052916 /nfs/dbraw/zinc/05/29/16/780052916.db2.gz PDIKVWJYHXMUTA-SSDOTTSWSA-N -1 0 268.273 -1.245 20 30 CAEDRM COC(COCCNc1[n-]c(=O)n(C)c(=O)c1C#N)OC ZINC001163107373 780055260 /nfs/dbraw/zinc/05/52/60/780055260.db2.gz YIBNPAFRHXOHCI-UHFFFAOYSA-N -1 0 298.299 -1.007 20 30 CAEDRM Cn1c(=O)[n-]c(NCCc2nnc[nH]2)c(C#N)c1=O ZINC001163404126 780059016 /nfs/dbraw/zinc/05/90/16/780059016.db2.gz PJONADPVUPHZAF-UHFFFAOYSA-N -1 0 261.245 -1.282 20 30 CAEDRM Cn1c(=O)[n-]c(NC[C@H]2COCO2)c(C#N)c1=O ZINC001163459544 780059390 /nfs/dbraw/zinc/05/93/90/780059390.db2.gz GVGFBPZNBDEUSG-LURJTMIESA-N -1 0 252.230 -1.270 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCCNC(=O)C2)c(C#N)c1=O ZINC001164055640 780068216 /nfs/dbraw/zinc/06/82/16/780068216.db2.gz RNBOZDNCIHQYAG-UHFFFAOYSA-N -1 0 263.257 -1.728 20 30 CAEDRM CO[N-]C(=O)CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC001164270849 780070782 /nfs/dbraw/zinc/07/07/82/780070782.db2.gz NNUZTGLHWOSJQF-UHFFFAOYSA-N -1 0 267.245 -1.955 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@H](O)[C@H](F)C2)c(C#N)c1=O ZINC001164332650 780073304 /nfs/dbraw/zinc/07/33/04/780073304.db2.gz JEDLDKXLAZVPTK-SFYZADRCSA-N -1 0 268.248 -1.146 20 30 CAEDRM CO[C@H](C)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001165791636 780088841 /nfs/dbraw/zinc/08/88/41/780088841.db2.gz TXBBJTIFASKZNZ-SSDOTTSWSA-N -1 0 266.257 -1.028 20 30 CAEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(N)=O ZINC001205856155 780107107 /nfs/dbraw/zinc/10/71/07/780107107.db2.gz COXFYXUBRWKEMJ-ZETCQYMHSA-N -1 0 253.276 -1.053 20 30 CAEDRM CCn1[n-]nnc1=NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC001217919336 780164286 /nfs/dbraw/zinc/16/42/86/780164286.db2.gz OPGBDXTXHOIJQL-JTQLQIEISA-N -1 0 265.277 -1.003 20 30 CAEDRM C=CCS(=O)(=O)CCNC(=O)N=c1nn[n-]n1CC ZINC001217903850 780164616 /nfs/dbraw/zinc/16/46/16/780164616.db2.gz CUNLJWGIHQXPTB-UHFFFAOYSA-N -1 0 288.333 -1.163 20 30 CAEDRM O=C([O-])C[C@H](O)C(=O)OCC(=O)ON1C(=O)CCC1=O ZINC001224530207 780434769 /nfs/dbraw/zinc/43/47/69/780434769.db2.gz XOQUSZRIJHMIDE-YFKPBYRVSA-N -1 0 289.196 -2.028 20 30 CAEDRM CC1=C(Oc2c([O-])c(=O)c(=O)c2=O)C(=O)[C@H](C)O1 ZINC001225833916 780439188 /nfs/dbraw/zinc/43/91/88/780439188.db2.gz NYQUXXXZODUQAI-VKHMYHEASA-N -1 0 252.178 -1.054 20 30 CAEDRM C=C(C)C(=O)OC[C@@H](C)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234375126 780482858 /nfs/dbraw/zinc/48/28/58/780482858.db2.gz ILWZSFVTUNHKHN-ZCFIWIBFSA-N -1 0 296.231 -1.405 20 30 CAEDRM CCC1=C(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C(=O)[C@@H](C)O1 ZINC001234376751 780482929 /nfs/dbraw/zinc/48/29/29/780482929.db2.gz SLGHKLMLRYTVEJ-SCSAIBSYSA-N -1 0 294.215 -1.303 20 30 CAEDRM C=C(C)C(=O)OC[C@H](C)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234375122 780483012 /nfs/dbraw/zinc/48/30/12/780483012.db2.gz ILWZSFVTUNHKHN-LURJTMIESA-N -1 0 296.231 -1.405 20 30 CAEDRM C#C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(C)C ZINC001234379572 780484041 /nfs/dbraw/zinc/48/40/41/780484041.db2.gz XMKPFRMXEVOUSP-ZCFIWIBFSA-N -1 0 250.206 -1.255 20 30 CAEDRM CC1=C(Oc2c([O-])c(=O)c(=O)c(=O)c2=O)C(=O)[C@H](C)O1 ZINC001234377229 780484366 /nfs/dbraw/zinc/48/43/66/780484366.db2.gz YHIFBKIHDPABJU-VKHMYHEASA-N -1 0 280.188 -1.693 20 30 CAEDRM CC#C[C@@H](CC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234378683 780484379 /nfs/dbraw/zinc/48/43/79/780484379.db2.gz OMZVAXIXCUYZHI-ZCFIWIBFSA-N -1 0 250.206 -1.111 20 30 CAEDRM C=C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(=O)OC ZINC001234378984 780484463 /nfs/dbraw/zinc/48/44/63/780484463.db2.gz PRQWSBSEUWHICE-SCSAIBSYSA-N -1 0 268.177 -2.185 20 30 CAEDRM C#C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(=O)OCC ZINC001234378631 780484474 /nfs/dbraw/zinc/48/44/74/780484474.db2.gz NPZDSHVSQYWNIS-YFKPBYRVSA-N -1 0 280.188 -2.348 20 30 CAEDRM C=C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(=O)OC ZINC001234378983 780484480 /nfs/dbraw/zinc/48/44/80/780484480.db2.gz PRQWSBSEUWHICE-BYPYZUCNSA-N -1 0 268.177 -2.185 20 30 CAEDRM C#C[C@H]1CCC[C@@H]1Oc1c([O-])c(=O)c(=O)c(=O)c1=O ZINC001234377807 780484504 /nfs/dbraw/zinc/48/45/04/780484504.db2.gz GHTBWYDDQUUATH-BQBZGAKWSA-N -1 0 262.217 -1.111 20 30 CAEDRM C#C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)C(C)C ZINC001234379571 780484516 /nfs/dbraw/zinc/48/45/16/780484516.db2.gz XMKPFRMXEVOUSP-LURJTMIESA-N -1 0 250.206 -1.255 20 30 CAEDRM CCO[N-]C(=O)CNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC001261525846 780669485 /nfs/dbraw/zinc/66/94/85/780669485.db2.gz QMBGPCREBQQCEW-SSDOTTSWSA-N -1 0 266.261 -1.105 20 30 CAEDRM N#Cc1cc(=O)n([C@H]2CCN(CC(=O)[O-])C2=O)cn1 ZINC001261647057 780677083 /nfs/dbraw/zinc/67/70/83/780677083.db2.gz GZWZXRINSYHQNN-QMMMGPOBSA-N -1 0 262.225 -1.027 20 30 CAEDRM COCCNC(=O)C(C#N)=C([O-])c1cnnn1C ZINC001263293701 780725785 /nfs/dbraw/zinc/72/57/85/780725785.db2.gz WWOHSBOMNWQLJL-ZETCQYMHSA-N -1 0 251.246 -1.100 20 30 CAEDRM Cc1[nH]nc(C(=O)N(CCO)CCNCC#N)c1[O-] ZINC001279686792 780775759 /nfs/dbraw/zinc/77/57/59/780775759.db2.gz KSZYHFIAHIMTSV-UHFFFAOYSA-N -1 0 267.289 -1.029 20 30 CAEDRM C[C@H](CO)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001136173301 781395026 /nfs/dbraw/zinc/39/50/26/781395026.db2.gz FADSGNOXXULJCW-SSDOTTSWSA-N -1 0 266.257 -1.292 20 30 CAEDRM N#C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001136626046 781413259 /nfs/dbraw/zinc/41/32/59/781413259.db2.gz JPZQNVGJKQYQBN-RXMQYKEDSA-N -1 0 251.202 -1.353 20 30 CAEDRM N#C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001136626047 781413321 /nfs/dbraw/zinc/41/33/21/781413321.db2.gz JPZQNVGJKQYQBN-YFKPBYRVSA-N -1 0 251.202 -1.353 20 30 CAEDRM N#CCN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](O)C1 ZINC001090759162 781428843 /nfs/dbraw/zinc/42/88/43/781428843.db2.gz DZNZUUQUBNBNJP-JGVFFNPUSA-N -1 0 296.287 -2.236 20 30 CAEDRM C#CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001143901508 781440244 /nfs/dbraw/zinc/44/02/44/781440244.db2.gz VCPSVPLTYBCIPB-UHFFFAOYSA-N -1 0 273.230 -2.018 20 30 CAEDRM N#C[C@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1O)C(N)=O ZINC001148928123 781540655 /nfs/dbraw/zinc/54/06/55/781540655.db2.gz WDDHLBNNKVXNDV-ZETCQYMHSA-N -1 0 299.264 -1.254 20 30 CAEDRM N#Cc1nc(N)c(NC(=O)Cc2nnn[n-]2)nc1C#N ZINC001176837822 781605171 /nfs/dbraw/zinc/60/51/71/781605171.db2.gz IRYLOZXFIAGYQR-UHFFFAOYSA-N -1 0 270.216 -1.504 20 30 CAEDRM CC(C)C[C@H](NC(=O)Cc1nnn[n-]1)C(=O)NO ZINC001176849331 781609941 /nfs/dbraw/zinc/60/99/41/781609941.db2.gz QONITUYZVHNUGX-LURJTMIESA-N -1 0 256.266 -1.222 20 30 CAEDRM N#C[C@@H]1COCCN1C(=O)Cn1nn[n-]c1=S ZINC001177739287 781624651 /nfs/dbraw/zinc/62/46/51/781624651.db2.gz MVMCNRLUHNJTKB-ZCFIWIBFSA-N -1 0 254.275 -1.287 20 30 CAEDRM N#C[C@@H]1CNCCN1C(=O)Cn1nn[n-]c1=S ZINC001177736624 781625233 /nfs/dbraw/zinc/62/52/33/781625233.db2.gz WRGOEQWGVCMTPI-ZCFIWIBFSA-N -1 0 253.291 -1.714 20 30 CAEDRM N#C[C@@H]1CN(C(=O)Cn2nn[n-]c2=S)CCO1 ZINC001177739424 781624965 /nfs/dbraw/zinc/62/49/65/781624965.db2.gz OFBZMRGAVVTUAZ-ZCFIWIBFSA-N -1 0 254.275 -1.287 20 30 CAEDRM N#Cc1c(N)nn(C(=O)Cn2nn[n-]c2=S)c1N ZINC001177736629 781625052 /nfs/dbraw/zinc/62/50/52/781625052.db2.gz WWHFKEZUFMBGES-UHFFFAOYSA-N -1 0 265.262 -1.465 20 30 CAEDRM N#C[C@H]1CN(C(=O)Cn2nn[n-]c2=S)CCO1 ZINC001177739422 781625228 /nfs/dbraw/zinc/62/52/28/781625228.db2.gz OFBZMRGAVVTUAZ-LURJTMIESA-N -1 0 254.275 -1.287 20 30 CAEDRM COC(=O)[C@H](CS)NC(=O)Cn1nn[n-]c1=S ZINC001177743338 781625700 /nfs/dbraw/zinc/62/57/00/781625700.db2.gz JIEBOJCNIDNORK-BYPYZUCNSA-N -1 0 277.331 -1.451 20 30 CAEDRM CC(C)C[C@H](NC(=O)Cn1nn[n-]c1=S)C(=O)NO ZINC001177745845 781626143 /nfs/dbraw/zinc/62/61/43/781626143.db2.gz HCCBRJLYOSYBJQ-LURJTMIESA-N -1 0 288.333 -1.002 20 30 CAEDRM CCOC(=O)[C@H](C#N)NC(=O)Cn1nn[n-]c1=S ZINC001177742563 781626177 /nfs/dbraw/zinc/62/61/77/781626177.db2.gz GDGAEWLKJVXFAZ-YFKPBYRVSA-N -1 0 270.274 -1.467 20 30 CAEDRM C=CC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC000150039294 781646105 /nfs/dbraw/zinc/64/61/05/781646105.db2.gz IAARQOIOTVTDFS-ZETCQYMHSA-N -1 0 267.241 -1.318 20 30 CAEDRM C[C@H](C#N)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001179901306 781652303 /nfs/dbraw/zinc/65/23/03/781652303.db2.gz WFHVRLNRXOBPNK-SRQIZXRXSA-N -1 0 261.259 -1.336 20 30 CAEDRM CC#CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001179748416 781652636 /nfs/dbraw/zinc/65/26/36/781652636.db2.gz PTZMNIRQSXULGS-UHFFFAOYSA-N -1 0 287.257 -1.628 20 30 CAEDRM Cn1c(=O)[n-]c(N(CCO)CCO)c(C#N)c1=O ZINC001185420383 781785477 /nfs/dbraw/zinc/78/54/77/781785477.db2.gz FQMJUKRPHHDRQE-UHFFFAOYSA-N -1 0 254.246 -2.264 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC(O)(C3CC3)C2)c(C#N)c1=O ZINC001186120344 781800433 /nfs/dbraw/zinc/80/04/33/781800433.db2.gz BMCBFVMBPAOOCR-UHFFFAOYSA-N -1 0 262.269 -1.094 20 30 CAEDRM Cn1c(=O)[n-]c(N2CC[C@](F)(CO)C2)c(C#N)c1=O ZINC001186221261 781804964 /nfs/dbraw/zinc/80/49/64/781804964.db2.gz PDFWWHYNJUWRMX-LLVKDONJSA-N -1 0 268.248 -1.144 20 30 CAEDRM Cn1c(=O)[n-]c(N2C[C@H]3[C@H](CO)[C@H]3C2)c(C#N)c1=O ZINC001186565333 781806920 /nfs/dbraw/zinc/80/69/20/781806920.db2.gz OWWYOCNRGSYICC-BRPSZJMVSA-N -1 0 262.269 -1.380 20 30 CAEDRM C[C@H](O)CN(CCO)c1[n-]c(=O)n(C)c(=O)c1C#N ZINC001186610920 781808930 /nfs/dbraw/zinc/80/89/30/781808930.db2.gz DBONXWQCPNYRGN-ZETCQYMHSA-N -1 0 268.273 -1.875 20 30 CAEDRM COCC#CC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001187132946 781815154 /nfs/dbraw/zinc/81/51/54/781815154.db2.gz CRIANPVUZKWOPR-XPUUQOCRSA-N -1 0 276.270 -1.846 20 30 CAEDRM Cn1c(=O)[n-]c(N2CCCN(C=O)CC2)c(C#N)c1=O ZINC001187380067 781819021 /nfs/dbraw/zinc/81/90/21/781819021.db2.gz JEARAVUTBNQYTA-UHFFFAOYSA-N -1 0 277.284 -1.386 20 30 CAEDRM N=C(c1nonc1N)N(O)C(=O)c1c[nH]c(=O)[nH]1 ZINC001189537293 781860551 /nfs/dbraw/zinc/86/05/51/781860551.db2.gz VAJZVUGJCGVOOZ-UHFFFAOYSA-N -1 0 253.178 -1.063 20 30 CAEDRM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(=O)NCC#N ZINC001190063164 781869311 /nfs/dbraw/zinc/86/93/11/781869311.db2.gz WTPXHJXCQGCZMB-UHFFFAOYSA-N -1 0 296.374 -1.032 20 30 CAEDRM