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892642901 /nfs/dbraw/zinc/64/29/01/892642901.db2.gz DAFWUJCEYGUJJT-QWRGUYRKSA-N 0 3 298.343 -1.522 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC1(CNC(=O)C(N)=O)CCCC1 ZINC001482228915 892643124 /nfs/dbraw/zinc/64/31/24/892643124.db2.gz ZIYCMOPQEQDWNQ-SNVBAGLBSA-N 0 3 294.355 -1.372 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)N(C)C(=O)[C@@H]1COCCO1 ZINC001482258828 892643215 /nfs/dbraw/zinc/64/32/15/892643215.db2.gz DAFWUJCEYGUJJT-MNOVXSKESA-N 0 3 298.343 -1.522 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001482279942 892645614 /nfs/dbraw/zinc/64/56/14/892645614.db2.gz OYOMVRFWKWLWBO-SNVBAGLBSA-N 0 3 292.343 -1.385 20 30 CAEDHN COCC#CCN[C@H](CNC(=O)C(N)=O)C(C)C ZINC001482550656 892652093 /nfs/dbraw/zinc/65/20/93/892652093.db2.gz IHGGODLIGZSDJV-SNVBAGLBSA-N 0 3 255.318 -1.148 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)COC ZINC001482698799 892657890 /nfs/dbraw/zinc/65/78/90/892657890.db2.gz NGCJUTLLOHTUQM-SECBINFHSA-N 0 3 257.290 -2.551 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001482705822 892660561 /nfs/dbraw/zinc/66/05/61/892660561.db2.gz OHDYJXANFSKQGC-WDEREUQCSA-N 0 3 283.328 -2.019 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001482705821 892660823 /nfs/dbraw/zinc/66/08/23/892660823.db2.gz OHDYJXANFSKQGC-QWRGUYRKSA-N 0 3 283.328 -2.019 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CNC(C)=O ZINC001482703252 892661399 /nfs/dbraw/zinc/66/13/99/892661399.db2.gz UMLJNPCVJUOPON-ONGXEEELSA-N 0 3 298.343 -2.673 20 30 CAEDHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001482710314 892662802 /nfs/dbraw/zinc/66/28/02/892662802.db2.gz WNLXWEIVOAPOHN-JTQLQIEISA-N 0 3 299.331 -2.829 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccn1C ZINC001482710070 892663138 /nfs/dbraw/zinc/66/31/38/892663138.db2.gz YJBJAZAPHMVEFM-LLVKDONJSA-N 0 3 292.339 -1.545 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001482710454 892664069 /nfs/dbraw/zinc/66/40/69/892664069.db2.gz YQRDZILTEQYKFF-SECBINFHSA-N 0 3 281.316 -1.608 20 30 CAEDHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCC(=O)NCC#N ZINC001482710315 892664777 /nfs/dbraw/zinc/66/47/77/892664777.db2.gz WNLXWEIVOAPOHN-SNVBAGLBSA-N 0 3 299.331 -2.829 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)c1ccnn1C ZINC001482714232 892666276 /nfs/dbraw/zinc/66/62/76/892666276.db2.gz UDGWXMPKMUNMDD-NSHDSACASA-N 0 3 280.328 -1.250 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccon1 ZINC001482711193 892667852 /nfs/dbraw/zinc/66/78/52/892667852.db2.gz KYQLCQDTTHKIFX-NXEZZACHSA-N 0 3 294.311 -1.507 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001482716665 892670278 /nfs/dbraw/zinc/67/02/78/892670278.db2.gz ZGUNVJQZDXDZLP-NSHDSACASA-N 0 3 293.327 -2.232 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001482718329 892671352 /nfs/dbraw/zinc/67/13/52/892671352.db2.gz METPZVPCVFXWFN-DCQANWLSSA-N 0 3 294.355 -1.261 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)CC(N)=O ZINC001482716476 892671523 /nfs/dbraw/zinc/67/15/23/892671523.db2.gz WLKSYPVKVWEOLJ-SECBINFHSA-N 0 3 257.290 -2.422 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482716989 892671646 /nfs/dbraw/zinc/67/16/46/892671646.db2.gz VGLZBVXJHAJILQ-ZJUUUORDSA-N 0 3 268.317 -1.555 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)/C(C)=C/C ZINC001482718626 892671795 /nfs/dbraw/zinc/67/17/95/892671795.db2.gz JWVGDUQDBMRGQV-UAWPZABVSA-N 0 3 267.329 -1.231 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)CC(N)=O ZINC001482716223 892671891 /nfs/dbraw/zinc/67/18/91/892671891.db2.gz TWTFQAOTWMOJAW-QMMMGPOBSA-N 0 3 270.289 -3.322 20 30 CAEDHN N#Cc1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)[nH]1 ZINC001482722621 892674750 /nfs/dbraw/zinc/67/47/50/892674750.db2.gz NTSMUWFYCCYQTI-NXEZZACHSA-N 0 3 291.311 -1.545 20 30 CAEDHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C#CC2CC2)C1=O ZINC001482728981 892676955 /nfs/dbraw/zinc/67/69/55/892676955.db2.gz OANQFHBUYHBZEW-NEPJUHHUSA-N 0 3 279.340 -1.303 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001482729702 892676981 /nfs/dbraw/zinc/67/69/81/892676981.db2.gz 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/nfs/dbraw/zinc/68/25/69/892682569.db2.gz CELGYIVTIDBWLM-GFCCVEGCSA-N 0 3 293.367 -1.007 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1CC(OC)C1 ZINC001482739037 892683217 /nfs/dbraw/zinc/68/32/17/892683217.db2.gz FGXYEJDDLQSQGJ-MOENNCHZSA-N 0 3 297.355 -1.773 20 30 CAEDHN C#CCNC[C@@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001482748074 892686522 /nfs/dbraw/zinc/68/65/22/892686522.db2.gz SXUVDWFDWWZOOA-WDEREUQCSA-N 0 3 288.369 -1.489 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](F)C(C)C ZINC001482758884 892688212 /nfs/dbraw/zinc/68/82/12/892688212.db2.gz LNRRENPHENOGAT-CMPLNLGQSA-N 0 3 287.335 -1.203 20 30 CAEDHN NC(=O)C(=O)NC[C@H](O)CNCC#Cc1ccc(F)cc1 ZINC001482765287 892691464 /nfs/dbraw/zinc/69/14/64/892691464.db2.gz IOHOXDGNIOMNAF-GFCCVEGCSA-N 0 3 293.298 -1.271 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001482766820 892691493 /nfs/dbraw/zinc/69/14/93/892691493.db2.gz JFAFQQUNJUMRHO-LLVKDONJSA-N 0 3 294.355 -1.117 20 30 CAEDHN CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNCC#CCOC ZINC001482770524 892694062 /nfs/dbraw/zinc/69/40/62/892694062.db2.gz TVQNFKNVENANBR-CHWSQXEVSA-N 0 3 299.371 -1.382 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001482771715 892694464 /nfs/dbraw/zinc/69/44/64/892694464.db2.gz KWXWFTUEOCDNRL-NSHDSACASA-N 0 3 291.311 -2.094 20 30 CAEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001482769841 892694478 /nfs/dbraw/zinc/69/44/78/892694478.db2.gz LAJKKXMPMRSRAV-AXFHLTTASA-N 0 3 285.344 -1.610 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)c1conc1C ZINC001482768717 892695068 /nfs/dbraw/zinc/69/50/68/892695068.db2.gz ZVYBVHGHRZJZQD-JTQLQIEISA-N 0 3 296.327 -1.034 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001482767822 892696082 /nfs/dbraw/zinc/69/60/82/892696082.db2.gz VMLQSNAXARFSJB-ZETCQYMHSA-N 0 3 258.278 -3.159 20 30 CAEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001482769845 892696091 /nfs/dbraw/zinc/69/60/91/892696091.db2.gz LAJKKXMPMRSRAV-MXWKQRLJSA-N 0 3 285.344 -1.610 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001482779076 892698481 /nfs/dbraw/zinc/69/84/81/892698481.db2.gz GJCKMGQUOPVUMB-MRVPVSSYSA-N 0 3 283.288 -1.948 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001482779077 892699353 /nfs/dbraw/zinc/69/93/53/892699353.db2.gz GJCKMGQUOPVUMB-QMMMGPOBSA-N 0 3 283.288 -1.948 20 30 CAEDHN C[C@]1(C(=O)NC[C@H](O)CNCC(=O)NCC#N)CCOC1 ZINC001482780526 892700728 /nfs/dbraw/zinc/70/07/28/892700728.db2.gz BVWLSHOMMOWPLM-MFKMUULPSA-N 0 3 298.343 -1.881 20 30 CAEDHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(=O)NCC#N)CCOC1 ZINC001482780525 892701036 /nfs/dbraw/zinc/70/10/36/892701036.db2.gz BVWLSHOMMOWPLM-GXFFZTMASA-N 0 3 298.343 -1.881 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001482791285 892704902 /nfs/dbraw/zinc/70/49/02/892704902.db2.gz RQLNCXGNIWLONE-JTQLQIEISA-N 0 3 293.327 -2.150 20 30 CAEDHN C#CCNC[C@@H](O)CNC(=O)CS(=O)(=O)C(C)C ZINC001482791411 892705626 /nfs/dbraw/zinc/70/56/26/892705626.db2.gz AWTWRSGDCPXOIN-SNVBAGLBSA-N 0 3 276.358 -1.491 20 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30 CAEDHN C#CCNC/C=C\CNC(=O)CN1C(=O)CN(C)C1=O ZINC001483090649 892728890 /nfs/dbraw/zinc/72/88/90/892728890.db2.gz ABUODKPCMXEMBM-PLNGDYQASA-N 0 3 278.312 -1.224 20 30 CAEDHN C#CCNC/C=C\CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001483096144 892729592 /nfs/dbraw/zinc/72/95/92/892729592.db2.gz JGTBGOBNELWCKE-XOULXFPDSA-N 0 3 271.342 -1.427 20 30 CAEDHN CC#CCNC/C=C/CNC(=O)c1cn(CC(N)=O)nn1 ZINC001483099572 892729707 /nfs/dbraw/zinc/72/97/07/892729707.db2.gz ZVKSAEWUKHGPAN-SNAWJCMRSA-N 0 3 290.327 -1.338 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001483108161 892730228 /nfs/dbraw/zinc/73/02/28/892730228.db2.gz YOFGXOQYEKFJGV-ZJUUUORDSA-N 0 3 295.347 -1.542 20 30 CAEDHN C#CCNC/C=C/CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001483096142 892730266 /nfs/dbraw/zinc/73/02/66/892730266.db2.gz JGTBGOBNELWCKE-HMDXOVGESA-N 0 3 271.342 -1.427 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001483126015 892731961 /nfs/dbraw/zinc/73/19/61/892731961.db2.gz LXUPJAUGJMAPGI-SNVBAGLBSA-N 0 3 292.343 -1.245 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NCC#N ZINC001483127568 892733114 /nfs/dbraw/zinc/73/31/14/892733114.db2.gz FPNYVCDRBDDHTM-MNOVXSKESA-N 0 3 280.328 -1.241 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001483126507 892733522 /nfs/dbraw/zinc/73/35/22/892733522.db2.gz SGYPHQUOUVYRGC-NXEZZACHSA-N 0 3 292.343 -1.339 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483164289 892735199 /nfs/dbraw/zinc/73/51/99/892735199.db2.gz XFMMEMWOEGNHTQ-ZJUUUORDSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483162283 892735507 /nfs/dbraw/zinc/73/55/07/892735507.db2.gz NXNZSIDLQSIOLK-RKDXNWHRSA-N 0 3 281.316 -2.489 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1cn[nH]c(=O)c1 ZINC001483138697 892735826 /nfs/dbraw/zinc/73/58/26/892735826.db2.gz RTCZPAGLSBLXAN-MRVPVSSYSA-N 0 3 292.299 -1.470 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161463 892736865 /nfs/dbraw/zinc/73/68/65/892736865.db2.gz IURHNAPHQUWBJK-MRVPVSSYSA-N 0 3 292.299 -1.882 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1ccncn1 ZINC001483176919 892739410 /nfs/dbraw/zinc/73/94/10/892739410.db2.gz DJDMKGPQNSIXSG-SECBINFHSA-N 0 3 276.300 -1.176 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)c1cnn(C)c1 ZINC001483207151 892739419 /nfs/dbraw/zinc/73/94/19/892739419.db2.gz DYTZFXZWEVRUBY-JTQLQIEISA-N 0 3 277.328 -1.123 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CNC(C)=O ZINC001483204731 892741040 /nfs/dbraw/zinc/74/10/40/892741040.db2.gz KPDJRAIKVMNRIS-UWVGGRQHSA-N 0 3 284.360 -1.093 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001483227100 892742223 /nfs/dbraw/zinc/74/22/23/892742223.db2.gz UJWMZMOLTZQWIP-NWDGAFQWSA-N 0 3 297.355 -1.364 20 30 CAEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CNCC(=O)NCC#N ZINC001483215402 892742695 /nfs/dbraw/zinc/74/26/95/892742695.db2.gz OVXPMDQHCWSZDS-IUCAKERBSA-N 0 3 251.290 -1.120 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)CC(=O)NCC ZINC001483221435 892744102 /nfs/dbraw/zinc/74/41/02/892744102.db2.gz KXYUARRNSQKFKM-JTQLQIEISA-N 0 3 282.344 -1.644 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001483226800 892744278 /nfs/dbraw/zinc/74/42/78/892744278.db2.gz JMDBSTNRMWJMKQ-IUCAKERBSA-N 0 3 284.316 -1.686 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)C(C)(C)C(N)=O ZINC001483236818 892746932 /nfs/dbraw/zinc/74/69/32/892746932.db2.gz BAJUXEIAWPFMAL-QMMMGPOBSA-N 0 3 283.332 -1.768 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483266929 892751788 /nfs/dbraw/zinc/75/17/88/892751788.db2.gz XRJQNGCMNHEASE-YIZRAAEISA-N 0 3 281.316 -2.158 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001483275289 892751731 /nfs/dbraw/zinc/75/17/31/892751731.db2.gz JETQLCBLANYDAT-JTQLQIEISA-N 0 3 294.355 -1.644 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)Cn1cncn1 ZINC001483290960 892752344 /nfs/dbraw/zinc/75/23/44/892752344.db2.gz SNKIJUQLIGRRCL-WDEREUQCSA-N 0 3 292.343 -1.490 20 30 CAEDHN C#CCNC1(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001483734940 892784896 /nfs/dbraw/zinc/78/48/96/892784896.db2.gz KGEORHWMRYNWHC-UHFFFAOYSA-N 0 3 276.300 -1.751 20 30 CAEDHN C#CCNC1(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001483792009 892790277 /nfs/dbraw/zinc/79/02/77/892790277.db2.gz FLKCVMFQIUVKMH-SECBINFHSA-N 0 3 278.312 -1.154 20 30 CAEDHN C#CCNC1(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001483792010 892790569 /nfs/dbraw/zinc/79/05/69/892790569.db2.gz FLKCVMFQIUVKMH-VIFPVBQESA-N 0 3 278.312 -1.154 20 30 CAEDHN C#CCN1CC[C@@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001484021763 892796186 /nfs/dbraw/zinc/79/61/86/892796186.db2.gz FSTNTFUEFARFOG-CQSZACIVSA-N 0 3 292.383 -1.026 20 30 CAEDHN C#CCN(C(=O)C(N)=O)C1CCN(CCO)CC1 ZINC001483986680 892796715 /nfs/dbraw/zinc/79/67/15/892796715.db2.gz OHVIDECAMDRPSK-UHFFFAOYSA-N 0 3 253.302 -1.610 20 30 CAEDHN C=CCN1CC[C@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001484053198 892802303 /nfs/dbraw/zinc/80/23/03/892802303.db2.gz AOQUYWDCAHYGEW-NSHDSACASA-N 0 3 290.389 -1.193 20 30 CAEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484223442 892817232 /nfs/dbraw/zinc/81/72/32/892817232.db2.gz NAJSVRKSSINDCO-ZFWWWQNUSA-N 0 3 295.383 -1.371 20 30 CAEDHN C#CCN1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001484238232 892823295 /nfs/dbraw/zinc/82/32/95/892823295.db2.gz SAZMBBFVLDVYPE-ZDUSSCGKSA-N 0 3 277.328 -1.077 20 30 CAEDHN C#CCN1CC[C@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001484238232 892823314 /nfs/dbraw/zinc/82/33/14/892823314.db2.gz SAZMBBFVLDVYPE-ZDUSSCGKSA-N 0 3 277.328 -1.077 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)CNC(=O)OC ZINC001484477592 892864131 /nfs/dbraw/zinc/86/41/31/892864131.db2.gz OEODRJWHRYQUPV-UHFFFAOYSA-N 0 3 271.317 -1.224 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)C(C)C ZINC001484475776 892861319 /nfs/dbraw/zinc/86/13/19/892861319.db2.gz ICTDRZBTNOJRHR-UHFFFAOYSA-N 0 3 269.345 -1.198 20 30 CAEDHN CC(F)(F)C(=O)N(CCO)CCNCC(=O)NCC#N ZINC001484474650 892861424 /nfs/dbraw/zinc/86/14/24/892861424.db2.gz PPQSTICRPIUFOP-UHFFFAOYSA-N 0 3 292.286 -1.308 20 30 CAEDHN N#CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CCCO1 ZINC001484477518 892862980 /nfs/dbraw/zinc/86/29/80/892862980.db2.gz ZGUMLTIASVDTKF-LLVKDONJSA-N 0 3 298.343 -1.784 20 30 CAEDHN N#CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCCO1 ZINC001484477519 892863207 /nfs/dbraw/zinc/86/32/07/892863207.db2.gz ZGUMLTIASVDTKF-NSHDSACASA-N 0 3 298.343 -1.784 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1cc[n+]([O-])cc1 ZINC001484476831 892863964 /nfs/dbraw/zinc/86/39/64/892863964.db2.gz PAYFKWQXXXTYGX-UHFFFAOYSA-N 0 3 263.297 -1.023 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)C(F)F ZINC001484473765 892864166 /nfs/dbraw/zinc/86/41/66/892864166.db2.gz HYMCRIVYJJKBQH-SECBINFHSA-N 0 3 291.298 -1.200 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)c1cn[nH]c1 ZINC001484475783 892865142 /nfs/dbraw/zinc/86/51/42/892865142.db2.gz IIQYARLSDSQMJC-UHFFFAOYSA-N 0 3 293.327 -1.817 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)c1n[nH]nc1C ZINC001484489955 892866361 /nfs/dbraw/zinc/86/63/61/892866361.db2.gz KEIRHYDONXUURQ-UHFFFAOYSA-N 0 3 295.343 -1.213 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CCn1ccnn1 ZINC001484482151 892866469 /nfs/dbraw/zinc/86/64/69/892866469.db2.gz KZISCDLNWQTJDI-UHFFFAOYSA-N 0 3 265.317 -1.288 20 30 CAEDHN C[C@H](NCCN(CCO)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001484480744 892866706 /nfs/dbraw/zinc/86/67/06/892866706.db2.gz QSLDSBFCGBZZMT-VIFPVBQESA-N 0 3 293.327 -1.216 20 30 CAEDHN CC(C)C#CC(=O)N(CCO)CCNCC(N)=O ZINC001484481366 892867095 /nfs/dbraw/zinc/86/70/95/892867095.db2.gz MKZPSXVLHNFAJP-UHFFFAOYSA-N 0 3 255.318 -1.458 20 30 CAEDHN C#CCNCCN(CCO)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001484485188 892868002 /nfs/dbraw/zinc/86/80/02/892868002.db2.gz ZXYHCBQQIGWYNB-LBPRGKRZSA-N 0 3 281.356 -1.054 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001484667650 892880401 /nfs/dbraw/zinc/88/04/01/892880401.db2.gz FQUOMONUFOWESM-LBPRGKRZSA-N 0 3 279.340 -1.037 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001484667649 892880681 /nfs/dbraw/zinc/88/06/81/892880681.db2.gz FQUOMONUFOWESM-GFCCVEGCSA-N 0 3 279.340 -1.037 20 30 CAEDHN C#CCNC(=O)CNC1(CNC(=O)CNC(C)=O)CCC1 ZINC001484622484 892881251 /nfs/dbraw/zinc/88/12/51/892881251.db2.gz UGFAAQPXZRRILE-UHFFFAOYSA-N 0 3 294.355 -1.500 20 30 CAEDHN C[C@@H](C#N)C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 ZINC001484671040 892883484 /nfs/dbraw/zinc/88/34/84/892883484.db2.gz KWLSIKOSGAMNRW-WDEREUQCSA-N 0 3 293.327 -1.397 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001484692563 892883610 /nfs/dbraw/zinc/88/36/10/892883610.db2.gz JPNGYANDRAWEEC-SDDRHHMPSA-N 0 3 295.339 -1.531 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001484684565 892884482 /nfs/dbraw/zinc/88/44/82/892884482.db2.gz FIFGGHCZRTUFNT-SNVBAGLBSA-N 0 3 276.296 -1.166 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001484692562 892885104 /nfs/dbraw/zinc/88/51/04/892885104.db2.gz JPNGYANDRAWEEC-GRYCIOLGSA-N 0 3 295.339 -1.531 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484848824 892892378 /nfs/dbraw/zinc/89/23/78/892892378.db2.gz OECIOYGUZOSRTE-SUNKGSAMSA-N 0 3 279.340 -1.316 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484848825 892892547 /nfs/dbraw/zinc/89/25/47/892892547.db2.gz OECIOYGUZOSRTE-UHIISALHSA-N 0 3 279.340 -1.316 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001484838172 892893249 /nfs/dbraw/zinc/89/32/49/892893249.db2.gz KGSMVDZZHSTOIW-GWCFXTLKSA-N 0 3 281.312 -1.329 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)CN2CCOCC2)C1 ZINC001484839207 892893525 /nfs/dbraw/zinc/89/35/25/892893525.db2.gz QNEPZBAGYBSOEB-OAHLLOKOSA-N 0 3 295.383 -1.105 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001484852353 892895376 /nfs/dbraw/zinc/89/53/76/892895376.db2.gz ZYRPXBFFUHYENT-LBPRGKRZSA-N 0 3 263.301 -1.005 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001484952628 892897823 /nfs/dbraw/zinc/89/78/23/892897823.db2.gz IZIBKXGVSNRXJE-NSHDSACASA-N 0 3 297.355 -1.547 20 30 CAEDHN CCC(=O)N1CCC(O)(CNCC(=O)NCC#N)CC1 ZINC001484946349 892897507 /nfs/dbraw/zinc/89/75/07/892897507.db2.gz QNOANFPOSSXXSN-UHFFFAOYSA-N 0 3 282.344 -1.021 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001484897999 892899397 /nfs/dbraw/zinc/89/93/97/892899397.db2.gz SXKBVEKQQMFTJF-DTWKUNHWSA-N 0 3 268.317 -1.790 20 30 CAEDHN CCC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N ZINC001485130516 892906254 /nfs/dbraw/zinc/90/62/54/892906254.db2.gz RGUKVDKVNVBGBW-VHSXEESVSA-N 0 3 297.359 -1.365 20 30 CAEDHN C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)NCC(=O)NCC#N ZINC001485159566 892910539 /nfs/dbraw/zinc/91/05/39/892910539.db2.gz IERFETGHHRDJME-DTWKUNHWSA-N 0 3 297.359 -1.380 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001485159553 892910830 /nfs/dbraw/zinc/91/08/30/892910830.db2.gz IERFETGHHRDJME-BDAKNGLRSA-N 0 3 297.359 -1.380 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1cnon1 ZINC001485203262 892912686 /nfs/dbraw/zinc/91/26/86/892912686.db2.gz BTSVSXOJEXQKOU-SFYZADRCSA-N 0 3 280.288 -1.194 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001485198723 892913009 /nfs/dbraw/zinc/91/30/09/892913009.db2.gz KZGQCFXTSJHRAL-VHSXEESVSA-N 0 3 292.343 -1.339 20 30 CAEDHN C[C@@H](NC(=O)c1cnon1)[C@H](C)NCC(=O)NCC#N ZINC001485203261 892913649 /nfs/dbraw/zinc/91/36/49/892913649.db2.gz BTSVSXOJEXQKOU-JGVFFNPUSA-N 0 3 280.288 -1.194 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001485198719 892915007 /nfs/dbraw/zinc/91/50/07/892915007.db2.gz KZGQCFXTSJHRAL-NXEZZACHSA-N 0 3 292.343 -1.339 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1cnon1 ZINC001485203257 892915606 /nfs/dbraw/zinc/91/56/06/892915606.db2.gz BTSVSXOJEXQKOU-HTQZYQBOSA-N 0 3 280.288 -1.194 20 30 CAEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001485390202 892922411 /nfs/dbraw/zinc/92/24/11/892922411.db2.gz XQEWUPHLBYCHAY-VIFPVBQESA-N 0 3 280.332 -1.001 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646592 892938058 /nfs/dbraw/zinc/93/80/58/892938058.db2.gz ZNKCDCBYWZSQPZ-BDAKNGLRSA-N 0 3 297.315 -2.683 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646595 892939481 /nfs/dbraw/zinc/93/94/81/892939481.db2.gz ZNKCDCBYWZSQPZ-RKDXNWHRSA-N 0 3 297.315 -2.683 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)CNC(C)=O ZINC001485769666 892941826 /nfs/dbraw/zinc/94/18/26/892941826.db2.gz GYLZYPIBSPTEOB-UHFFFAOYSA-N 0 3 255.318 -1.180 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)CC(=O)NCC ZINC001485867171 892946365 /nfs/dbraw/zinc/94/63/65/892946365.db2.gz VZHJOQLWNADINW-LLVKDONJSA-N 0 3 296.371 -1.302 20 30 CAEDHN CCC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001485856043 892947484 /nfs/dbraw/zinc/94/74/84/892947484.db2.gz OPZVBJVTVBOGFU-SNVBAGLBSA-N 0 3 297.359 -1.411 20 30 CAEDHN COC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NCC#N ZINC001485852044 892947823 /nfs/dbraw/zinc/94/78/23/892947823.db2.gz RRKASCVMBYCYOZ-VIFPVBQESA-N 0 3 299.331 -1.581 20 30 CAEDHN COC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001485852043 892947974 /nfs/dbraw/zinc/94/79/74/892947974.db2.gz RRKASCVMBYCYOZ-SECBINFHSA-N 0 3 299.331 -1.581 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001485778916 892948080 /nfs/dbraw/zinc/94/80/80/892948080.db2.gz QCGCITPNMKFNRX-NSHDSACASA-N 0 3 295.339 -1.263 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001485778915 892948258 /nfs/dbraw/zinc/94/82/58/892948258.db2.gz QCGCITPNMKFNRX-LLVKDONJSA-N 0 3 295.339 -1.263 20 30 CAEDHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)NCC#N ZINC001485946847 892955086 /nfs/dbraw/zinc/95/50/86/892955086.db2.gz IYBJWQORTCNOCD-UWVGGRQHSA-N 0 3 295.343 -1.659 20 30 CAEDHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)NCC#N ZINC001485946848 892956108 /nfs/dbraw/zinc/95/61/08/892956108.db2.gz IYBJWQORTCNOCD-ZJUUUORDSA-N 0 3 295.343 -1.659 20 30 CAEDHN CC(C)NC(=O)NCCN[C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001485979405 892967401 /nfs/dbraw/zinc/96/74/01/892967401.db2.gz JCJDCYDOMFQEMQ-WDEREUQCSA-N 0 3 299.375 -1.080 20 30 CAEDHN CC(C)NC(=O)NCCN[C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001485979395 892968677 /nfs/dbraw/zinc/96/86/77/892968677.db2.gz JCJDCYDOMFQEMQ-GHMZBOCLSA-N 0 3 299.375 -1.080 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)c1nccnc1N ZINC001485982289 892970215 /nfs/dbraw/zinc/97/02/15/892970215.db2.gz KKOOUFKAYXYULN-MRVPVSSYSA-N 0 3 251.290 -1.075 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001485999302 892978573 /nfs/dbraw/zinc/97/85/73/892978573.db2.gz VFPXUSWJUNUIPR-VIFPVBQESA-N 0 3 276.300 -1.009 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001486043006 892996975 /nfs/dbraw/zinc/99/69/75/892996975.db2.gz NUDZGXMCKXIGDQ-VIFPVBQESA-N 0 3 293.389 -1.433 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C(C)(C)F ZINC001486257281 893018556 /nfs/dbraw/zinc/01/85/56/893018556.db2.gz JGILKJWFMMRUBT-JTQLQIEISA-N 0 3 287.335 -1.107 20 30 CAEDHN CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)[C@H]1CCCO1 ZINC001486259091 893019435 /nfs/dbraw/zinc/01/94/35/893019435.db2.gz AXGLHRUBGGLVBE-GHMZBOCLSA-N 0 3 298.343 -1.786 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1CC1 ZINC001486254970 893019864 /nfs/dbraw/zinc/01/98/64/893019864.db2.gz ACOZOVSRTBKAAM-CMPLNLGQSA-N 0 3 281.356 -1.057 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241785 893020213 /nfs/dbraw/zinc/02/02/13/893020213.db2.gz ZHHBMMWVGOOJDU-UWVGGRQHSA-N 0 3 296.371 -1.011 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1CC1 ZINC001486254971 893021307 /nfs/dbraw/zinc/02/13/07/893021307.db2.gz ACOZOVSRTBKAAM-JQWIXIFHSA-N 0 3 281.356 -1.057 20 30 CAEDHN CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)c1cn[nH]c1 ZINC001486264767 893025543 /nfs/dbraw/zinc/02/55/43/893025543.db2.gz HBJNYRZLWANNTI-SNVBAGLBSA-N 0 3 294.315 -1.928 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)[C@@H]1CCCO1 ZINC001486259093 893027634 /nfs/dbraw/zinc/02/76/34/893027634.db2.gz AXGLHRUBGGLVBE-QWRGUYRKSA-N 0 3 298.343 -1.786 20 30 CAEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNCC(=O)NC1CC1 ZINC001486268301 893029021 /nfs/dbraw/zinc/02/90/21/893029021.db2.gz RVKRCWPIXFVTST-ONGXEEELSA-N 0 3 282.344 -1.166 20 30 CAEDHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001486274733 893029920 /nfs/dbraw/zinc/02/99/20/893029920.db2.gz QSJYOYXAZLGRKQ-SNVBAGLBSA-N 0 3 296.327 -1.996 20 30 CAEDHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001486272595 893033302 /nfs/dbraw/zinc/03/33/02/893033302.db2.gz ZXPHLIQCNIHQHB-SNVBAGLBSA-N 0 3 279.300 -1.606 20 30 CAEDHN C=CCOCCN(C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486346358 893063363 /nfs/dbraw/zinc/06/33/63/893063363.db2.gz CWWUYIZQQBMZSB-JTQLQIEISA-N 0 3 273.333 -1.575 20 30 CAEDHN C[C@@H](C#N)C(=O)N(C)CCOCCNCC(=O)NC(N)=O ZINC001486493101 893072118 /nfs/dbraw/zinc/07/21/18/893072118.db2.gz MRUVNTBVGAAGPZ-VIFPVBQESA-N 0 3 299.331 -1.594 20 30 CAEDHN C#CCN1CCC(C(=O)N[C@H](CO)CNC(C)=O)CC1 ZINC001487923660 893106817 /nfs/dbraw/zinc/10/68/17/893106817.db2.gz CLQQKRLBXXACOD-ZDUSSCGKSA-N 0 3 281.356 -1.055 20 30 CAEDHN C#CCN(C)CCOCCN(C)C(=O)CC(N)=O ZINC001489213524 893176166 /nfs/dbraw/zinc/17/61/66/893176166.db2.gz VJZSUVYAFMLYCD-UHFFFAOYSA-N 0 3 255.318 -1.098 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647673 893211011 /nfs/dbraw/zinc/21/10/11/893211011.db2.gz FACAVSJHUIWDBB-JTQLQIEISA-N 0 3 280.328 -1.904 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647284 893215674 /nfs/dbraw/zinc/21/56/74/893215674.db2.gz ASOIYUINBGKWFR-KOLCDFICSA-N 0 3 294.355 -1.516 20 30 CAEDHN N#CCSCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001490810971 893219808 /nfs/dbraw/zinc/21/98/08/893219808.db2.gz MPSHDPUCCXNXGZ-QMMMGPOBSA-N 0 3 256.331 -1.081 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001490821212 893223427 /nfs/dbraw/zinc/22/34/27/893223427.db2.gz PUPOTOOZHJPPMR-JTQLQIEISA-N 0 3 275.312 -1.037 20 30 CAEDHN C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001490847724 893223563 /nfs/dbraw/zinc/22/35/63/893223563.db2.gz GLXHSWMYLNFRNM-UWVGGRQHSA-N 0 3 290.327 -1.253 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001490836565 893224559 /nfs/dbraw/zinc/22/45/59/893224559.db2.gz NEJPDCIDEQMMEK-MNOVXSKESA-N 0 3 296.371 -1.009 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001491389407 893265858 /nfs/dbraw/zinc/26/58/58/893265858.db2.gz JSGXVKLXCRBNRD-VHSXEESVSA-N 0 3 293.331 -2.095 20 30 CAEDHN COCC#CCN[C@@H](C)CNC(=O)CNC(C)=O ZINC001491380752 893266138 /nfs/dbraw/zinc/26/61/38/893266138.db2.gz YNWNESRIHWSVNB-JTQLQIEISA-N 0 3 255.318 -1.133 20 30 CAEDHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)NCC(=O)NCC#N ZINC001491387670 893266874 /nfs/dbraw/zinc/26/68/74/893266874.db2.gz MBJFKZOOKUSGKS-DTWKUNHWSA-N 0 3 283.332 -1.755 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)c1cnsn1 ZINC001491401539 893267070 /nfs/dbraw/zinc/26/70/70/893267070.db2.gz IZXREKVAQQGSPE-MRVPVSSYSA-N 0 3 281.341 -1.005 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001491389408 893268418 /nfs/dbraw/zinc/26/84/18/893268418.db2.gz JSGXVKLXCRBNRD-ZJUUUORDSA-N 0 3 293.331 -2.095 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001491389405 893268708 /nfs/dbraw/zinc/26/87/08/893268708.db2.gz JSGXVKLXCRBNRD-UWVGGRQHSA-N 0 3 293.331 -2.095 20 30 CAEDHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NCC#N ZINC001491387660 893268897 /nfs/dbraw/zinc/26/88/97/893268897.db2.gz MBJFKZOOKUSGKS-BDAKNGLRSA-N 0 3 283.332 -1.755 20 30 CAEDHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NCC#N ZINC001491387675 893269000 /nfs/dbraw/zinc/26/90/00/893269000.db2.gz MBJFKZOOKUSGKS-RKDXNWHRSA-N 0 3 283.332 -1.755 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001491431950 893272153 /nfs/dbraw/zinc/27/21/53/893272153.db2.gz OUMWAOGVHNTQQZ-SNVBAGLBSA-N 0 3 277.328 -1.123 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)c1nccnc1N ZINC001491418172 893272526 /nfs/dbraw/zinc/27/25/26/893272526.db2.gz IMRUHILSLPLRPY-VIFPVBQESA-N 0 3 290.327 -1.484 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)NC ZINC001491473626 893275634 /nfs/dbraw/zinc/27/56/34/893275634.db2.gz LCWMXRBHRGFREI-SECBINFHSA-N 0 3 283.332 -2.241 20 30 CAEDHN C[C@@H](CNC(=O)c1csnn1)NCC(=O)NCC#N ZINC001491539122 893289290 /nfs/dbraw/zinc/28/92/90/893289290.db2.gz HTEMMNVLBHIJIZ-ZETCQYMHSA-N 0 3 282.329 -1.114 20 30 CAEDHN C[C@@H](CNC(=O)Cc1cnoc1)NCC(=O)NCC#N ZINC001491556549 893289829 /nfs/dbraw/zinc/28/98/29/893289829.db2.gz AAXHPGFMIOHCEI-VIFPVBQESA-N 0 3 279.300 -1.049 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001491569553 893292452 /nfs/dbraw/zinc/29/24/52/893292452.db2.gz YMWBBAVWLDXKCM-VIFPVBQESA-N 0 3 282.344 -1.352 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001491569551 893295087 /nfs/dbraw/zinc/29/50/87/893295087.db2.gz YMWBBAVWLDXKCM-SECBINFHSA-N 0 3 282.344 -1.352 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001491564237 893295493 /nfs/dbraw/zinc/29/54/93/893295493.db2.gz KDLHJILTSHGWGV-VIFPVBQESA-N 0 3 293.327 -1.220 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)c1ccncn1 ZINC001491614138 893296703 /nfs/dbraw/zinc/29/67/03/893296703.db2.gz JYIBUFMHKJKVEE-SNVBAGLBSA-N 0 3 275.312 -1.066 20 30 CAEDHN C[C@H](CNC(=O)c1cccnn1)NCC(=O)NCC#N ZINC001491619087 893297225 /nfs/dbraw/zinc/29/72/25/893297225.db2.gz VNTRCNSWUDSORS-SECBINFHSA-N 0 3 276.300 -1.176 20 30 CAEDHN C[C@@H](CNC(=O)c1cccnn1)NCC(=O)NCC#N ZINC001491619088 893297514 /nfs/dbraw/zinc/29/75/14/893297514.db2.gz VNTRCNSWUDSORS-VIFPVBQESA-N 0 3 276.300 -1.176 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ccncn1 ZINC001491614135 893298235 /nfs/dbraw/zinc/29/82/35/893298235.db2.gz JYIBUFMHKJKVEE-JTQLQIEISA-N 0 3 275.312 -1.066 20 30 CAEDHN COCC#CCN[C@@H](C)CNC(=O)CCNC(N)=O ZINC001491664524 893302940 /nfs/dbraw/zinc/30/29/40/893302940.db2.gz KQKGHWLSWNMYHL-JTQLQIEISA-N 0 3 270.333 -1.211 20 30 CAEDHN C#CCNCCNC(=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001491701014 893305927 /nfs/dbraw/zinc/30/59/27/893305927.db2.gz JNPZVXRNZXQVMU-NSHDSACASA-N 0 3 294.355 -1.561 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001491725955 893306012 /nfs/dbraw/zinc/30/60/12/893306012.db2.gz DXNZPSXFMKQWOF-MJVIPROJSA-N 0 3 292.339 -1.147 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491718602 893306244 /nfs/dbraw/zinc/30/62/44/893306244.db2.gz OYIWVQUPMDPRJR-UWVGGRQHSA-N 0 3 282.344 -1.257 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001491709269 893308487 /nfs/dbraw/zinc/30/84/87/893308487.db2.gz YLYUOFASKWZCGH-NSHDSACASA-N 0 3 280.328 -1.938 20 30 CAEDHN Cn1ccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)n1 ZINC001491771124 893310898 /nfs/dbraw/zinc/31/08/98/893310898.db2.gz UJAZOXFMMMEBLQ-JTQLQIEISA-N 0 3 290.327 -1.136 20 30 CAEDHN C=CCOCCN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001492435413 893354429 /nfs/dbraw/zinc/35/44/29/893354429.db2.gz QMIYUHYAXANWKE-JTQLQIEISA-N 0 3 298.343 -1.165 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)COC ZINC001493452540 893393569 /nfs/dbraw/zinc/39/35/69/893393569.db2.gz GQUZIQVKDCUEBQ-SNVBAGLBSA-N 0 3 255.318 -1.181 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCN(C)C(=O)COC ZINC001493452531 893396606 /nfs/dbraw/zinc/39/66/06/893396606.db2.gz GQUZIQVKDCUEBQ-JTQLQIEISA-N 0 3 255.318 -1.181 20 30 CAEDHN C[C@H](C#N)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001493500169 893400282 /nfs/dbraw/zinc/40/02/82/893400282.db2.gz MOXZPXDSFHJJGL-BDAKNGLRSA-N 0 3 266.301 -1.001 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)Cn1cccn1 ZINC001493473821 893401998 /nfs/dbraw/zinc/40/19/98/893401998.db2.gz ASTAWVSGHMVGHO-UHFFFAOYSA-N 0 3 277.328 -1.320 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)CC(C)(C)O ZINC001493532788 893404829 /nfs/dbraw/zinc/40/48/29/893404829.db2.gz GHUVDUHKLOLYRT-UHFFFAOYSA-N 0 3 270.333 -1.165 20 30 CAEDHN COCC#CCNCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001493525116 893405945 /nfs/dbraw/zinc/40/59/45/893405945.db2.gz WFJMEHPKLSWUMB-JTQLQIEISA-N 0 3 270.333 -1.259 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1n[nH]nc1C ZINC001493653304 893407869 /nfs/dbraw/zinc/40/78/69/893407869.db2.gz MIKHGSFCBXPRJN-SNVBAGLBSA-N 0 3 292.343 -1.087 20 30 CAEDHN COCC#CCNCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 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C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001497090342 893602158 /nfs/dbraw/zinc/60/21/58/893602158.db2.gz FBZAGLWLRKXCGX-SECBINFHSA-N 0 3 294.315 -2.837 20 30 CAEDHN Cc1c[nH]cc1C(=O)NC[C@H](O)CNCC(=O)NCC#N ZINC001497112730 893603866 /nfs/dbraw/zinc/60/38/66/893603866.db2.gz FIQGUGHNTCWGRO-SNVBAGLBSA-N 0 3 293.327 -1.357 20 30 CAEDHN COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001497091667 893605660 /nfs/dbraw/zinc/60/56/60/893605660.db2.gz SLUQCEMWYKKICN-SNVBAGLBSA-N 0 3 281.316 -1.936 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001497125088 893608132 /nfs/dbraw/zinc/60/81/32/893608132.db2.gz FESSDUZFRDDOFB-GFCCVEGCSA-N 0 3 280.328 -1.400 20 30 CAEDHN CCN(CCNCC(=O)NCC#N)C(=O)C1=COCCO1 ZINC001497352077 893615630 /nfs/dbraw/zinc/61/56/30/893615630.db2.gz HJBRXTXXJUCQOG-UHFFFAOYSA-N 0 3 296.327 -1.048 20 30 CAEDHN C#CCNCCN(CC)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497464265 893618946 /nfs/dbraw/zinc/61/89/46/893618946.db2.gz MOFJZWBJUNDLQX-UHFFFAOYSA-N 0 3 292.339 -1.231 20 30 CAEDHN CCN(CCNCC#CCOC)C(=O)c1nnn(C)n1 ZINC001497439334 893621545 /nfs/dbraw/zinc/62/15/45/893621545.db2.gz PAOKGNNUNBOHFH-UHFFFAOYSA-N 0 3 280.332 -1.088 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)CC(N)=O ZINC001497550714 893624353 /nfs/dbraw/zinc/62/43/53/893624353.db2.gz NXZDTAVTIJXWLK-ORAHPGNNSA-N 0 3 280.328 -1.738 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)CC(N)=O ZINC001497550715 893624604 /nfs/dbraw/zinc/62/46/04/893624604.db2.gz NXZDTAVTIJXWLK-UMCURTJPSA-N 0 3 280.328 -1.738 20 30 CAEDHN C=CCN1CC[C@@H](NC/C=C\CNC(=O)CC(N)=O)C1=O ZINC001497551089 893624851 /nfs/dbraw/zinc/62/48/51/893624851.db2.gz UNUHPCUSAUXIRP-DLRQAJBASA-N 0 3 294.355 -1.089 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cnccn1 ZINC001497782133 893631429 /nfs/dbraw/zinc/63/14/29/893631429.db2.gz PXCITGGOPSJZEN-SNVBAGLBSA-N 0 3 275.312 -1.066 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001497813816 893633595 /nfs/dbraw/zinc/63/35/95/893633595.db2.gz COUBBQLGECEJGT-MRVPVSSYSA-N 0 3 264.289 -1.243 20 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C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001507497417 894058302 /nfs/dbraw/zinc/05/83/02/894058302.db2.gz KTGNJAOAWXGYSJ-GRYCIOLGSA-N 0 3 281.356 -1.199 20 30 CAEDHN COCC#CCNC[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001507486290 894059581 /nfs/dbraw/zinc/05/95/81/894059581.db2.gz PRRBEJUZTBDRTP-NSHDSACASA-N 0 3 299.371 -1.443 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001507502126 894060817 /nfs/dbraw/zinc/06/08/17/894060817.db2.gz GPPOWGGJXIBGAZ-QMMMGPOBSA-N 0 3 270.289 -3.370 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507501697 894062035 /nfs/dbraw/zinc/06/20/35/894062035.db2.gz BLFIHQJGZMWQDA-RKDXNWHRSA-N 0 3 286.332 -2.429 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001507501686 894062293 /nfs/dbraw/zinc/06/22/93/894062293.db2.gz BLFIHQJGZMWQDA-BDAKNGLRSA-N 0 3 286.332 -2.429 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507501692 894062689 /nfs/dbraw/zinc/06/26/89/894062689.db2.gz 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775844033 /nfs/dbraw/zinc/84/40/33/775844033.db2.gz DLZALOXKWVPPJG-ZJUUUORDSA-N 0 3 253.302 -1.381 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001127052316 775844047 /nfs/dbraw/zinc/84/40/47/775844047.db2.gz URHUDZFMSCEKPY-SNVBAGLBSA-N 0 3 291.373 -1.720 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NC ZINC001127046891 775844212 /nfs/dbraw/zinc/84/42/12/775844212.db2.gz VQOYOFIOGVWFPT-SECBINFHSA-N 0 3 284.316 -1.814 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127045565 775844351 /nfs/dbraw/zinc/84/43/51/775844351.db2.gz DULGISVGWJPMIK-VHSXEESVSA-N 0 3 281.312 -1.464 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCNCC(=O)NCC ZINC001127046890 775844365 /nfs/dbraw/zinc/84/43/65/775844365.db2.gz VQMRSYZDPRKQEY-SNVBAGLBSA-N 0 3 255.318 -1.133 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001127045549 775844373 /nfs/dbraw/zinc/84/43/73/775844373.db2.gz DLZALOXKWVPPJG-VHSXEESVSA-N 0 3 253.302 -1.381 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NCC ZINC001127045526 775844461 /nfs/dbraw/zinc/84/44/61/775844461.db2.gz DAHOJZHFHGDRFY-SNVBAGLBSA-N 0 3 298.343 -1.424 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001127046607 775844502 /nfs/dbraw/zinc/84/45/02/775844502.db2.gz TUAFGFDIFLIORD-VHSXEESVSA-N 0 3 255.318 -1.135 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001127051788 775844614 /nfs/dbraw/zinc/84/46/14/775844614.db2.gz MVOMYXGRJLDERP-ZJUUUORDSA-N 0 3 298.343 -1.425 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127045563 775844687 /nfs/dbraw/zinc/84/46/87/775844687.db2.gz DULGISVGWJPMIK-NXEZZACHSA-N 0 3 281.312 -1.464 20 30 CAEDHN CC#CCNCCNC(=O)CCS(=O)(=O)NC ZINC001127088040 775853635 /nfs/dbraw/zinc/85/36/35/775853635.db2.gz LBLYWPARGJRKDH-UHFFFAOYSA-N 0 3 261.347 -1.345 20 30 CAEDHN CC#CCNCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001127099410 775855085 /nfs/dbraw/zinc/85/50/85/775855085.db2.gz LQPWMNBIXZKYEG-UHFFFAOYSA-N 0 3 290.389 -1.546 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC)C[C@H]1OC 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C=CCNC(=O)CNC[C@H](O)C[C@]1(O)CCOC1 ZINC001120583468 775881655 /nfs/dbraw/zinc/88/16/55/775881655.db2.gz PDZCAKBRFNZPTG-ZYHUDNBSSA-N 0 3 258.318 -1.219 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)c1cnn(C)n1 ZINC001272277214 775882835 /nfs/dbraw/zinc/88/28/35/775882835.db2.gz IMXHZVGRQDBGLJ-UHFFFAOYSA-N 0 3 295.343 -1.511 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)c1cnon1 ZINC001272278761 775885729 /nfs/dbraw/zinc/88/57/29/775885729.db2.gz YWBLICWGYBCYQC-UHFFFAOYSA-N 0 3 282.300 -1.257 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CS(=O)(=O)NC ZINC001272315552 775891245 /nfs/dbraw/zinc/89/12/45/775891245.db2.gz QQDBBSGUVOFTQL-UHFFFAOYSA-N 0 3 277.346 -2.421 20 30 CAEDHN C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(C)=O ZINC001272351829 775897012 /nfs/dbraw/zinc/89/70/12/775897012.db2.gz PQVFLEYCNVOCMP-SCZZXKLOSA-N 0 3 286.332 -1.527 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(C)(F)F ZINC001272352893 775897292 /nfs/dbraw/zinc/89/72/92/775897292.db2.gz WOCRGIZCCTZFHF-BDAKNGLRSA-N 0 3 291.298 -1.154 20 30 CAEDHN C=CCNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(C)=O ZINC001272351831 775897975 /nfs/dbraw/zinc/89/79/75/775897975.db2.gz PQVFLEYCNVOCMP-WPRPVWTQSA-N 0 3 286.332 -1.527 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(C)(F)F ZINC001272352902 775898061 /nfs/dbraw/zinc/89/80/61/775898061.db2.gz WOCRGIZCCTZFHF-IUCAKERBSA-N 0 3 291.298 -1.154 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001272360374 775898976 /nfs/dbraw/zinc/89/89/76/775898976.db2.gz BYDSYEYCTLABDL-LLVKDONJSA-N 0 3 284.312 -1.409 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510253 775899146 /nfs/dbraw/zinc/89/91/46/775899146.db2.gz NAGGFTABWQWDNI-OUAUKWLOSA-N 0 3 282.344 -1.253 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001272361516 775899237 /nfs/dbraw/zinc/89/92/37/775899237.db2.gz HNUMJWQHBFWGKU-SECBINFHSA-N 0 3 298.299 -2.419 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ccon1 ZINC001272371367 775899739 /nfs/dbraw/zinc/89/97/39/775899739.db2.gz LFLNOJXFBAWLEJ-VIFPVBQESA-N 0 3 280.284 -1.896 20 30 CAEDHN CC(C)C(=O)NC[C@H](O)CNCC(=O)NCC#N ZINC001272370234 775899827 /nfs/dbraw/zinc/89/98/27/775899827.db2.gz ATGRUWHZNBVJOK-SECBINFHSA-N 0 3 256.306 -1.651 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)C(C)C ZINC001272363726 775899944 /nfs/dbraw/zinc/89/99/44/775899944.db2.gz ZNFIZHHTWSGFDV-SNVBAGLBSA-N 0 3 255.318 -1.542 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001272371366 775900434 /nfs/dbraw/zinc/90/04/34/775900434.db2.gz LFLNOJXFBAWLEJ-SECBINFHSA-N 0 3 280.284 -1.896 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001272373790 775901245 /nfs/dbraw/zinc/90/12/45/775901245.db2.gz ZVFUTHAUSQYQAT-JTQLQIEISA-N 0 3 279.300 -2.161 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001272372725 775901332 /nfs/dbraw/zinc/90/13/32/775901332.db2.gz RELBJAWOFTXMNB-QWRGUYRKSA-N 0 3 285.344 -1.608 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001272372724 775901726 /nfs/dbraw/zinc/90/17/26/775901726.db2.gz RELBJAWOFTXMNB-MNOVXSKESA-N 0 3 285.344 -1.608 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)c1cnns1 ZINC001272373770 775901905 /nfs/dbraw/zinc/90/19/05/775901905.db2.gz ZLLPCROVBPKOOF-SECBINFHSA-N 0 3 284.341 -1.132 20 30 CAEDHN C=CCCC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001272381092 775903166 /nfs/dbraw/zinc/90/31/66/775903166.db2.gz PQHTUWNCVHHOPR-MRVPVSSYSA-N 0 3 272.305 -1.786 20 30 CAEDHN C=CCCC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001272381093 775903427 /nfs/dbraw/zinc/90/34/27/775903427.db2.gz PQHTUWNCVHHOPR-QMMMGPOBSA-N 0 3 272.305 -1.786 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001272388198 775903820 /nfs/dbraw/zinc/90/38/20/775903820.db2.gz BLCCCUDRCFUGDQ-LLVKDONJSA-N 0 3 295.343 -1.546 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001272397721 775904697 /nfs/dbraw/zinc/90/46/97/775904697.db2.gz KVCKTZLSQFPUIU-LBPRGKRZSA-N 0 3 297.355 -1.298 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001272397719 775905525 /nfs/dbraw/zinc/90/55/25/775905525.db2.gz KVCKTZLSQFPUIU-GFCCVEGCSA-N 0 3 297.355 -1.298 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001272399547 775907138 /nfs/dbraw/zinc/90/71/38/775907138.db2.gz XSPNOLYCSIJAMP-VXGBXAGGSA-N 0 3 295.343 -1.444 20 30 CAEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001272406584 775907200 /nfs/dbraw/zinc/90/72/00/775907200.db2.gz MEOVONJFZFWWIQ-KWQFWETISA-N 0 3 259.306 -2.135 20 30 CAEDHN C=C[C@](C)(O)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001272406583 775907964 /nfs/dbraw/zinc/90/79/64/775907964.db2.gz MEOVONJFZFWWIQ-KCJUWKMLSA-N 0 3 259.306 -2.135 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001272399546 775908125 /nfs/dbraw/zinc/90/81/25/775908125.db2.gz XSPNOLYCSIJAMP-RYUDHWBXSA-N 0 3 295.343 -1.444 20 30 CAEDHN N#CCNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001272426085 775908866 /nfs/dbraw/zinc/90/88/66/775908866.db2.gz RBYQIQIFCMUFNL-JTQLQIEISA-N 0 3 279.300 -1.665 20 30 CAEDHN C#CCO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001272413428 775909133 /nfs/dbraw/zinc/90/91/33/775909133.db2.gz 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20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132356319 776729834 /nfs/dbraw/zinc/72/98/34/776729834.db2.gz VROXTBLOIRACEB-QMMMGPOBSA-N 0 3 267.289 -2.532 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132358799 776730143 /nfs/dbraw/zinc/73/01/43/776730143.db2.gz HUKOUFBRYMUDRP-QWRGUYRKSA-N 0 3 294.355 -1.385 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376929 776734855 /nfs/dbraw/zinc/73/48/55/776734855.db2.gz SFZKPUWVPYRMDJ-UWVGGRQHSA-N 0 3 280.328 -2.034 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376932 776735075 /nfs/dbraw/zinc/73/50/75/776735075.db2.gz SFZKPUWVPYRMDJ-ZJUUUORDSA-N 0 3 280.328 -2.034 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402056 776739134 /nfs/dbraw/zinc/73/91/34/776739134.db2.gz KKCLPLXPXSLVQX-VHSXEESVSA-N 0 3 297.359 -1.594 20 30 CAEDHN Cn1nnc(C(=O)NCCNCC(=O)NCC#N)n1 ZINC001132523570 776739489 /nfs/dbraw/zinc/73/94/89/776739489.db2.gz OUNZAQMJBXINQO-UHFFFAOYSA-N 0 3 266.265 -2.831 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519869 776740717 /nfs/dbraw/zinc/74/07/17/776740717.db2.gz PILCPNRBIXXYPX-QWRGUYRKSA-N 0 3 294.355 -1.549 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519897 776740746 /nfs/dbraw/zinc/74/07/46/776740746.db2.gz QCXGROVNUIAAKC-JTQLQIEISA-N 0 3 280.328 -1.938 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523660 776741563 /nfs/dbraw/zinc/74/15/63/776741563.db2.gz SNTSYLCCGGDGBA-UHFFFAOYSA-N 0 3 265.277 -2.721 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)c2nnn(C)n2)C1=O ZINC001132527246 776743625 /nfs/dbraw/zinc/74/36/25/776743625.db2.gz RXVDESLXLPUGDS-VIFPVBQESA-N 0 3 293.331 -1.684 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1c(C)cnn1C ZINC001132548743 776744570 /nfs/dbraw/zinc/74/45/70/776744570.db2.gz SDLRFRNOHSTZEM-UHFFFAOYSA-N 0 3 277.328 -1.203 20 30 CAEDHN Cc1cnn(C)c1C(=O)NCCNCC(=O)NCC#N ZINC001132549158 776745114 /nfs/dbraw/zinc/74/51/14/776745114.db2.gz XPHKUCWJKCPXLE-UHFFFAOYSA-N 0 3 278.316 -1.312 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623877 776745801 /nfs/dbraw/zinc/74/58/01/776745801.db2.gz IMVPLLYHAIARQW-QWRGUYRKSA-N 0 3 296.371 -1.139 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616126 776745994 /nfs/dbraw/zinc/74/59/94/776745994.db2.gz JKEQLHWBYRAGDS-WYUUTHIRSA-N 0 3 279.340 -1.278 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623878 776746252 /nfs/dbraw/zinc/74/62/52/776746252.db2.gz IMVPLLYHAIARQW-WDEREUQCSA-N 0 3 296.371 -1.139 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1csc(=O)[nH]1 ZINC001132643929 776747407 /nfs/dbraw/zinc/74/74/07/776747407.db2.gz NXJONYVEUUXETN-UHFFFAOYSA-N 0 3 282.325 -1.083 20 30 CAEDHN C[C@@]1(C(=O)NCCNCC(=O)NCC#N)CCC(=O)NC1 ZINC001132715007 776747677 /nfs/dbraw/zinc/74/76/77/776747677.db2.gz DDWTUZVTMYOZPK-CYBMUJFWSA-N 0 3 295.343 -1.752 20 30 CAEDHN CN1CC[C@H](C(=O)NCCNCC(=O)NCC#N)C1=O ZINC001132609153 776748121 /nfs/dbraw/zinc/74/81/21/776748121.db2.gz RJHHJWNXFIAAIW-SECBINFHSA-N 0 3 281.316 -2.190 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762202 776751475 /nfs/dbraw/zinc/75/14/75/776751475.db2.gz IORQNMOOFVORCY-SNVBAGLBSA-N 0 3 282.344 -1.385 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@]1(F)CCOC1 ZINC001132863959 776752239 /nfs/dbraw/zinc/75/22/39/776752239.db2.gz QEHSJYJMEWKYJA-NSHDSACASA-N 0 3 272.280 -1.539 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)COc1cnn(C)c1 ZINC001132961054 776754783 /nfs/dbraw/zinc/75/47/83/776754783.db2.gz GOXIITGDVQZPFD-UHFFFAOYSA-N 0 3 293.327 -1.746 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009383 776756542 /nfs/dbraw/zinc/75/65/42/776756542.db2.gz CRFWQHQDMQVOMN-UHFFFAOYSA-N 0 3 277.284 -2.161 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013924 776757594 /nfs/dbraw/zinc/75/75/94/776757594.db2.gz ZZXYRVYPQDECPY-UHFFFAOYSA-N 0 3 279.300 -1.609 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013318 776757877 /nfs/dbraw/zinc/75/78/77/776757877.db2.gz DKKKABAEBHGPAV-SECBINFHSA-N 0 3 291.311 -1.773 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111736 776759163 /nfs/dbraw/zinc/75/91/63/776759163.db2.gz MUOTWPVLZBWQBY-QMMMGPOBSA-N 0 3 267.289 -2.877 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111735 776759205 /nfs/dbraw/zinc/75/92/05/776759205.db2.gz MUOTWPVLZBWQBY-MRVPVSSYSA-N 0 3 267.289 -2.877 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115270 776761848 /nfs/dbraw/zinc/76/18/48/776761848.db2.gz JIXGCHMAVKFWEZ-SECBINFHSA-N 0 3 254.290 -1.977 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122127 776764349 /nfs/dbraw/zinc/76/43/49/776764349.db2.gz RQORWYYNTPLVCV-IUCAKERBSA-N 0 3 283.332 -1.936 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122126 776764575 /nfs/dbraw/zinc/76/45/75/776764575.db2.gz RQORWYYNTPLVCV-DTWKUNHWSA-N 0 3 283.332 -1.936 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128419 776764593 /nfs/dbraw/zinc/76/45/93/776764593.db2.gz DESDNCPLUBLLMU-ZETCQYMHSA-N 0 3 268.277 -2.987 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133129396 776766120 /nfs/dbraw/zinc/76/61/20/776766120.db2.gz XWKPVQJXLJKZKK-QMMMGPOBSA-N 0 3 269.305 -2.324 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133188849 776768750 /nfs/dbraw/zinc/76/87/50/776768750.db2.gz BNAIBXNETDELPO-VIFPVBQESA-N 0 3 282.344 -1.352 20 30 CAEDHN Cn1cc(C(=O)NCCNCC(=O)NCC#N)[nH]c1=O ZINC001133332573 776776205 /nfs/dbraw/zinc/77/62/05/776776205.db2.gz OZVGXJFCPBOATE-UHFFFAOYSA-N 0 3 280.288 -1.915 20 30 CAEDHN C[C@@]1(C(=O)NCCNCC(=O)NCC#N)CCC(=O)N1 ZINC001133467921 776777501 /nfs/dbraw/zinc/77/75/01/776777501.db2.gz SXJYZSIYOITJAG-LBPRGKRZSA-N 0 3 281.316 -1.999 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351047 776778401 /nfs/dbraw/zinc/77/84/01/776778401.db2.gz PTVSPVIWFLLMIA-SECBINFHSA-N 0 3 293.327 -1.417 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](COC)OC ZINC001133513185 776779467 /nfs/dbraw/zinc/77/94/67/776779467.db2.gz MYLNEVXCKQZUTK-MNOVXSKESA-N 0 3 285.344 -1.509 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](COC)OC ZINC001133513187 776779485 /nfs/dbraw/zinc/77/94/85/776779485.db2.gz MYLNEVXCKQZUTK-WDEREUQCSA-N 0 3 285.344 -1.509 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](COC)OC ZINC001133513186 776779601 /nfs/dbraw/zinc/77/96/01/776779601.db2.gz MYLNEVXCKQZUTK-QWRGUYRKSA-N 0 3 285.344 -1.509 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cccc(=O)n1C ZINC001133621659 776783613 /nfs/dbraw/zinc/78/36/13/776783613.db2.gz LTXQFIBXLNIRKF-UHFFFAOYSA-N 0 3 290.323 -1.546 20 30 CAEDHN C[C@]1(C(=O)NCCNCC(=O)NCC#N)CCNC1=O ZINC001133753945 776785435 /nfs/dbraw/zinc/78/54/35/776785435.db2.gz OGLZANFRSJAVLL-LBPRGKRZSA-N 0 3 281.316 -2.142 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754538 776786015 /nfs/dbraw/zinc/78/60/15/776786015.db2.gz VCSOMQVZYRRPRM-HZMBPMFUSA-N 0 3 296.371 -1.091 20 30 CAEDHN COCC#CCNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133762738 776786893 /nfs/dbraw/zinc/78/68/93/776786893.db2.gz GQTXUCLGACULLA-CYBMUJFWSA-N 0 3 267.329 -1.132 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133908368 776792161 /nfs/dbraw/zinc/79/21/61/776792161.db2.gz OGYGUCHCKXMMKD-VWYCJHECSA-N 0 3 294.355 -1.400 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133908367 776793030 /nfs/dbraw/zinc/79/30/30/776793030.db2.gz OGYGUCHCKXMMKD-OUAUKWLOSA-N 0 3 294.355 -1.400 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921096 776794015 /nfs/dbraw/zinc/79/40/15/776794015.db2.gz AURIFMZVMDSDEY-WDEREUQCSA-N 0 3 294.355 -1.834 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133951325 776795911 /nfs/dbraw/zinc/79/59/11/776795911.db2.gz UMYRDNWQUNKONU-UHFFFAOYSA-N 0 3 293.327 -1.265 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932461 776796441 /nfs/dbraw/zinc/79/64/41/776796441.db2.gz ZBLBRBVLILYTQS-MNOVXSKESA-N 0 3 296.371 -1.104 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133944048 776797172 /nfs/dbraw/zinc/79/71/72/776797172.db2.gz ZQIISBASMGMLCG-SFYZADRCSA-N 0 3 267.289 -2.547 20 30 CAEDHN CN(C)C(=O)CC(=O)NCCNCC(=O)NCC#N ZINC001134939196 776832837 /nfs/dbraw/zinc/83/28/37/776832837.db2.gz RTXWWOSLPYQUFP-UHFFFAOYSA-N 0 3 269.305 -2.190 20 30 CAEDHN Cc1ccn(CC(=O)NCCNCC(=O)NCC#N)n1 ZINC001134002202 776800588 /nfs/dbraw/zinc/80/05/88/776800588.db2.gz NZTLMCLFIZIRMJ-UHFFFAOYSA-N 0 3 278.316 -1.463 20 30 CAEDHN C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717928 776802288 /nfs/dbraw/zinc/80/22/88/776802288.db2.gz ZLDOSPCIMUDBDB-UHFFFAOYSA-N 0 3 278.316 -1.808 20 30 CAEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001134062262 776803633 /nfs/dbraw/zinc/80/36/33/776803633.db2.gz UZSAOXJCDIOZEX-ZJUUUORDSA-N 0 3 298.343 -1.261 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134109813 776803702 /nfs/dbraw/zinc/80/37/02/776803702.db2.gz GUMCNWWFYBJQEV-QWRGUYRKSA-N 0 3 296.371 -1.091 20 30 CAEDHN C#CCNCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099655 776804121 /nfs/dbraw/zinc/80/41/21/776804121.db2.gz USTNDKZHZAZYKI-SNVBAGLBSA-N 0 3 262.317 -1.035 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134111498 776806111 /nfs/dbraw/zinc/80/61/11/776806111.db2.gz WJARWPUJGNCFHQ-WDEREUQCSA-N 0 3 294.355 -1.644 20 30 CAEDHN C[C@@H](C(=O)NCCNCC(=O)NCC#N)[C@H]1CCC(=O)N1 ZINC001134110946 776806573 /nfs/dbraw/zinc/80/65/73/776806573.db2.gz OUXAXOAMLKYAHF-NXEZZACHSA-N 0 3 295.343 -1.753 20 30 CAEDHN C[C@H](C(=O)NCCNCC(=O)NCC#N)[C@@H]1CCC(=O)N1 ZINC001134110947 776807237 /nfs/dbraw/zinc/80/72/37/776807237.db2.gz OUXAXOAMLKYAHF-UWVGGRQHSA-N 0 3 295.343 -1.753 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H](CC)NC(C)=O ZINC001134168895 776808206 /nfs/dbraw/zinc/80/82/06/776808206.db2.gz XLVBCKVRTJNYMP-NSHDSACASA-N 0 3 282.344 -1.644 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H](CC)NC(C)=O ZINC001134168248 776808332 /nfs/dbraw/zinc/80/83/32/776808332.db2.gz MLGNIBKMWRARPX-LLVKDONJSA-N 0 3 284.360 -1.091 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC)NC(C)=O ZINC001134178349 776810489 /nfs/dbraw/zinc/81/04/89/776810489.db2.gz KYBXXQURBVBXMJ-JQWIXIFHSA-N 0 3 296.371 -1.255 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178355 776810879 /nfs/dbraw/zinc/81/08/79/776810879.db2.gz KYBXXQURBVBXMJ-ZYHUDNBSSA-N 0 3 296.371 -1.255 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1c[nH]cn1 ZINC001134397169 776813678 /nfs/dbraw/zinc/81/36/78/776813678.db2.gz KOLAGTJRYQNAKQ-SNVBAGLBSA-N 0 3 277.328 -1.204 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)Cn1cc(Cl)cn1 ZINC001134473745 776817303 /nfs/dbraw/zinc/81/73/03/776817303.db2.gz GYBXAGHTTYSJNU-UHFFFAOYSA-N 0 3 298.734 -1.118 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460563 776818583 /nfs/dbraw/zinc/81/85/83/776818583.db2.gz DFAKLEPKSOLCLG-ZETCQYMHSA-N 0 3 296.287 -3.070 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)Cn1cc(Cl)cn1 ZINC001134477645 776818658 /nfs/dbraw/zinc/81/86/58/776818658.db2.gz NKWLPLKSFBWICI-UHFFFAOYSA-N 0 3 297.746 -1.008 20 30 CAEDHN CC#CCNCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134667397 776823400 /nfs/dbraw/zinc/82/34/00/776823400.db2.gz JFSKRDGSQQUGFA-UHFFFAOYSA-N 0 3 278.312 -1.573 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)COC[C@@H]1CCOC1 ZINC001134641301 776823458 /nfs/dbraw/zinc/82/34/58/776823458.db2.gz UITRSEMVYLOXDL-LLVKDONJSA-N 0 3 298.343 -1.615 20 30 CAEDHN COCCO[C@H](C)C(=O)NCCNCC(=O)NCC#N ZINC001134659386 776824438 /nfs/dbraw/zinc/82/44/38/776824438.db2.gz AMBCBIDJIZHJIC-SNVBAGLBSA-N 0 3 286.332 -1.617 20 30 CAEDHN C#CCNCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714195 776824930 /nfs/dbraw/zinc/82/49/30/776824930.db2.gz DABVDKQMUWJLLY-UHFFFAOYSA-N 0 3 266.257 -2.254 20 30 CAEDHN CC#CCNCCNC(=O)Cn1ncn2nccc2c1=O ZINC001134665429 776825139 /nfs/dbraw/zinc/82/51/39/776825139.db2.gz MEHWSQIBXYMEOX-UHFFFAOYSA-N 0 3 288.311 -1.380 20 30 CAEDHN CCn1ccc(C(=O)NCCNCC(=O)NCC#N)n1 ZINC001134769792 776827263 /nfs/dbraw/zinc/82/72/63/776827263.db2.gz 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C=CCNC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667830 779673602 /nfs/dbraw/zinc/67/36/02/779673602.db2.gz NXRLDGBBCNXMOB-UHFFFAOYSA-N 0 3 256.306 -1.870 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1cnccn1 ZINC001122828043 779675563 /nfs/dbraw/zinc/67/55/63/779675563.db2.gz YOPBDNRUCJKMQJ-UHFFFAOYSA-N 0 3 262.273 -1.564 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnccn1 ZINC001122840640 779675759 /nfs/dbraw/zinc/67/57/59/779675759.db2.gz RYAPFQGNBMOJKE-SNVBAGLBSA-N 0 3 275.312 -1.066 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C1=COCCO1 ZINC001123031423 779676766 /nfs/dbraw/zinc/67/67/66/779676766.db2.gz FFKAVQFYNLAQKY-SNVBAGLBSA-N 0 3 281.312 -1.282 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123092009 779680412 /nfs/dbraw/zinc/68/04/12/779680412.db2.gz UEOAFOMRFMJLOE-UHFFFAOYSA-N 0 3 277.284 -1.749 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123104527 779680824 /nfs/dbraw/zinc/68/08/24/779680824.db2.gz UXVVYOZDIFCBQT-SECBINFHSA-N 0 3 291.311 -1.361 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCO1 ZINC001123128524 779681084 /nfs/dbraw/zinc/68/10/84/779681084.db2.gz VVBQLJOTEAFGRJ-JTQLQIEISA-N 0 3 253.302 -1.379 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCO1 ZINC001123144093 779681283 /nfs/dbraw/zinc/68/12/83/779681283.db2.gz ODLJADPJVIGTAN-VIFPVBQESA-N 0 3 254.290 -1.489 20 30 CAEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)CNC(N)=O ZINC001123236208 779681812 /nfs/dbraw/zinc/68/18/12/779681812.db2.gz XSOGGXCVMQXPPG-UHFFFAOYSA-N 0 3 299.375 -1.215 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123234833 779682090 /nfs/dbraw/zinc/68/20/90/779682090.db2.gz CVCZHYOBPBZDIO-UHFFFAOYSA-N 0 3 255.278 -2.890 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123264215 779684893 /nfs/dbraw/zinc/68/48/93/779684893.db2.gz VKRSAGNFDRDGAC-MRVPVSSYSA-N 0 3 271.321 -1.949 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123258802 779684975 /nfs/dbraw/zinc/68/49/75/779684975.db2.gz SVXZQDDQNYEMAP-UHFFFAOYSA-N 0 3 257.294 -2.337 20 30 CAEDHN 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N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H](N)CN ZINC001218638375 780178889 /nfs/dbraw/zinc/17/88/89/780178889.db2.gz ZSTFXQAEYFYXBS-QMMMGPOBSA-N 0 3 270.256 -1.303 20 30 CAEDHN N#Cc1n[nH]cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218656530 780179927 /nfs/dbraw/zinc/17/99/27/780179927.db2.gz XJAOEJZJOPCQKH-SECBINFHSA-N 0 3 262.273 -1.450 20 30 CAEDHN N#Cc1n[nH]cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218656531 780180416 /nfs/dbraw/zinc/18/04/16/780180416.db2.gz XJAOEJZJOPCQKH-VIFPVBQESA-N 0 3 262.273 -1.450 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112090 780194198 /nfs/dbraw/zinc/19/41/98/780194198.db2.gz TWRYOQWTAQJILP-MNOVXSKESA-N 0 3 255.318 -1.140 20 30 CAEDHN C=CCCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158645 780196921 /nfs/dbraw/zinc/19/69/21/780196921.db2.gz LCQWXEDIEOQTRM-MNOVXSKESA-N 0 3 280.332 -1.199 20 30 CAEDHN C=C(C)CCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219169223 780197801 /nfs/dbraw/zinc/19/78/01/780197801.db2.gz ZHONIKQSZDXHDL-ZJUUUORDSA-N 0 3 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C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)NCC#N ZINC001277922661 780490700 /nfs/dbraw/zinc/49/07/00/780490700.db2.gz PAMMFRDODVMZKO-IUCAKERBSA-N 0 3 296.331 -2.256 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cnon1 ZINC001277968652 780494486 /nfs/dbraw/zinc/49/44/86/780494486.db2.gz KHSZGVXUITXPKF-VIFPVBQESA-N 0 3 279.300 -1.131 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)CCn1ccnn1 ZINC001278071272 780503023 /nfs/dbraw/zinc/50/30/23/780503023.db2.gz NJIDCROLAHOGLQ-SNVBAGLBSA-N 0 3 253.306 -1.079 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001278105368 780506570 /nfs/dbraw/zinc/50/65/70/780506570.db2.gz IWLKIDHMYWTDEM-DTWKUNHWSA-N 0 3 264.347 -1.328 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105692 780506832 /nfs/dbraw/zinc/50/68/32/780506832.db2.gz LYMIWADKISWABG-JTQLQIEISA-N 0 3 276.358 -1.326 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001278111584 780507165 /nfs/dbraw/zinc/50/71/65/780507165.db2.gz CDGPEEXWFUTRLH-UWVGGRQHSA-N 0 3 276.358 -1.326 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001278105369 780507206 /nfs/dbraw/zinc/50/72/06/780507206.db2.gz IWLKIDHMYWTDEM-IUCAKERBSA-N 0 3 264.347 -1.328 20 30 CAEDHN C#CCN(C(=O)CC(N)=O)C1CCN(CCO)CC1 ZINC001278138671 780510385 /nfs/dbraw/zinc/51/03/85/780510385.db2.gz ZDBAAYJTCSLGRA-UHFFFAOYSA-N 0 3 267.329 -1.220 20 30 CAEDHN C#CCN(C(=O)CCNC(N)=O)C1CCN(CCO)CC1 ZINC001278200844 780514819 /nfs/dbraw/zinc/51/48/19/780514819.db2.gz VAPXXQNCEHGTEK-UHFFFAOYSA-N 0 3 296.371 -1.037 20 30 CAEDHN C#CCCN1CCC[C@@H](NS(=O)(=O)CCN)C1=O ZINC001238786444 780523576 /nfs/dbraw/zinc/52/35/76/780523576.db2.gz XZDNPSJMPNEOCP-SNVBAGLBSA-N 0 3 273.358 -1.121 20 30 CAEDHN N#Cc1nccnc1N1CCN(S(=O)(=O)CCN)CC1 ZINC001239097905 780529907 /nfs/dbraw/zinc/52/99/07/780529907.db2.gz MMADLLYXIBCMRG-UHFFFAOYSA-N 0 3 296.356 -1.241 20 30 CAEDHN C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001278356010 780536851 /nfs/dbraw/zinc/53/68/51/780536851.db2.gz NXZYLXHEFKFYTL-UWVGGRQHSA-N 0 3 280.328 -1.810 20 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780579859 /nfs/dbraw/zinc/57/98/59/780579859.db2.gz HGMRVCBOVSYBFC-TUAOUCFPSA-N 0 3 299.371 -1.399 20 30 CAEDHN C#CCOC[C@H](O)CN[C@@H](Cc1c[nH]cn1)C(N)=O ZINC001251907182 780580010 /nfs/dbraw/zinc/58/00/10/780580010.db2.gz VSWCQRSWKKMBEZ-MNOVXSKESA-N 0 3 266.301 -1.594 20 30 CAEDHN COCC#CCN[C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001278667099 780587460 /nfs/dbraw/zinc/58/74/60/780587460.db2.gz NBGMMKIDTMIPME-SNVBAGLBSA-N 0 3 267.329 -1.052 20 30 CAEDHN C=CCC[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252623428 780588141 /nfs/dbraw/zinc/58/81/41/780588141.db2.gz JZTPBIPNXFBRJO-SECBINFHSA-N 0 3 286.332 -2.379 20 30 CAEDHN C=CCC[C@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252623430 780588253 /nfs/dbraw/zinc/58/82/53/780588253.db2.gz JZTPBIPNXFBRJO-VIFPVBQESA-N 0 3 286.332 -2.379 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccc[nH]1 ZINC001278732183 780593875 /nfs/dbraw/zinc/59/38/75/780593875.db2.gz PUZUOGWIHRSVLT-LLVKDONJSA-N 0 3 292.339 -1.213 20 30 CAEDHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CSCC#N ZINC001278730594 780593906 /nfs/dbraw/zinc/59/39/06/780593906.db2.gz FNXIIDJANJQHAR-QMMMGPOBSA-N 0 3 274.346 -1.863 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737974 780594367 /nfs/dbraw/zinc/59/43/67/780594367.db2.gz XLQACJLVQIURLK-MNOVXSKESA-N 0 3 282.344 -1.143 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737875 780594958 /nfs/dbraw/zinc/59/49/58/780594958.db2.gz VWDAYIFDSHGSNR-GHMZBOCLSA-N 0 3 280.328 -1.696 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737877 780595006 /nfs/dbraw/zinc/59/50/06/780595006.db2.gz VWDAYIFDSHGSNR-QWRGUYRKSA-N 0 3 280.328 -1.696 20 30 CAEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001278755861 780597803 /nfs/dbraw/zinc/59/78/03/780597803.db2.gz IRIAAHDLRSTROL-LLVKDONJSA-N 0 3 296.331 -2.268 20 30 CAEDHN COCC#CCNC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001278755862 780597939 /nfs/dbraw/zinc/59/79/39/780597939.db2.gz IRIAAHDLRSTROL-NSHDSACASA-N 0 3 296.331 -2.268 20 30 CAEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001278754767 780598224 /nfs/dbraw/zinc/59/82/24/780598224.db2.gz AWVSCSMKHBUPLH-NWDGAFQWSA-N 0 3 281.356 -1.057 20 30 CAEDHN CN1CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001256195335 780621415 /nfs/dbraw/zinc/62/14/15/780621415.db2.gz MTULBYVOXILINE-IRCOFANPSA-N 0 3 276.333 -2.687 20 30 CAEDHN CNC(=O)[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CCO1 ZINC001261425368 780662854 /nfs/dbraw/zinc/66/28/54/780662854.db2.gz WNVFYOKHUBGKTP-ZJUUUORDSA-N 0 3 268.317 -1.019 20 30 CAEDHN C#CCSCCNC(=O)C(=O)N1CCNCCNCC1 ZINC001262543956 780713679 /nfs/dbraw/zinc/71/36/79/780713679.db2.gz PEWZENBDADNIAX-UHFFFAOYSA-N 0 3 298.412 -1.510 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001265441629 780749507 /nfs/dbraw/zinc/74/95/07/780749507.db2.gz OAYWOSZMSRDOTL-JTQLQIEISA-N 0 3 290.327 -1.333 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001265430872 780749691 /nfs/dbraw/zinc/74/96/91/780749691.db2.gz LXXCEZVKPARGRK-JTQLQIEISA-N 0 3 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C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001265903254 780765203 /nfs/dbraw/zinc/76/52/03/780765203.db2.gz KBSGTEVKCNOUSH-QWRGUYRKSA-N 0 3 267.329 -1.039 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001265923642 780765217 /nfs/dbraw/zinc/76/52/17/780765217.db2.gz WYFFHVHVBOCMJB-VHSXEESVSA-N 0 3 293.327 -2.047 20 30 CAEDHN COCC#CCN(C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001265911566 780765302 /nfs/dbraw/zinc/76/53/02/780765302.db2.gz AAKWNVANJVTOPF-LLVKDONJSA-N 0 3 282.344 -1.244 20 30 CAEDHN C[C@H](C#N)C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001279672766 780775250 /nfs/dbraw/zinc/77/52/50/780775250.db2.gz MGJSJVNXXVTKQY-RKDXNWHRSA-N 0 3 256.306 -1.570 20 30 CAEDHN COCC#CCNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280566377 780783767 /nfs/dbraw/zinc/78/37/67/780783767.db2.gz MGEMLRPPLYKNAB-LLVKDONJSA-N 0 3 283.328 -1.671 20 30 CAEDHN C=CCNC(=O)CNC[C@H]1CN(C(=O)COC)CCO1 ZINC001280549205 780784012 /nfs/dbraw/zinc/78/40/12/780784012.db2.gz SNOIABDLXZYMSM-NSHDSACASA-N 0 3 285.344 -1.248 20 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C#CCNC(=O)CN[C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001283715672 780858013 /nfs/dbraw/zinc/85/80/13/780858013.db2.gz YYLGPIDQDFYDCM-SNVBAGLBSA-N 0 3 297.359 -1.769 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)C[C@@H](C)NC(N)=O ZINC001283755910 780861359 /nfs/dbraw/zinc/86/13/59/780861359.db2.gz KPBUGMFTAUZTLR-BDAKNGLRSA-N 0 3 258.322 -1.314 20 30 CAEDHN O=C(C#CC1CC1)NC[C@@H](CO)NCCN1CCNC1=O ZINC001283756683 780863257 /nfs/dbraw/zinc/86/32/57/780863257.db2.gz OINXTIFXSMDITC-LBPRGKRZSA-N 0 3 294.355 -1.508 20 30 CAEDHN CC#CCNCCNC(=O)CN1CC(=O)NC1=O ZINC001135447565 781369401 /nfs/dbraw/zinc/36/94/01/781369401.db2.gz IDPOVFNKASLQMP-UHFFFAOYSA-N 0 3 252.274 -1.733 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135231669 781354364 /nfs/dbraw/zinc/35/43/64/781354364.db2.gz KEPANHNJHAOTPY-GHMZBOCLSA-N 0 3 294.355 -1.501 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222853 781354468 /nfs/dbraw/zinc/35/44/68/781354468.db2.gz MNNXOJRXQYCVCF-SECBINFHSA-N 0 3 281.316 -1.999 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135231671 781355140 /nfs/dbraw/zinc/35/51/40/781355140.db2.gz KEPANHNJHAOTPY-QWRGUYRKSA-N 0 3 294.355 -1.501 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135250879 781355828 /nfs/dbraw/zinc/35/58/28/781355828.db2.gz XNXRFVSCAVZCST-UHFFFAOYSA-N 0 3 280.328 -2.032 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C1(C(=O)NC)CC1 ZINC001135263234 781356106 /nfs/dbraw/zinc/35/61/06/781356106.db2.gz OHLXPOPTEAOJQG-JTQLQIEISA-N 0 3 296.371 -1.091 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135276892 781356574 /nfs/dbraw/zinc/35/65/74/781356574.db2.gz KVJOPSHMJMQZMX-UHFFFAOYSA-N 0 3 295.299 -2.615 20 30 CAEDHN COCC#CCNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270288 781357581 /nfs/dbraw/zinc/35/75/81/781357581.db2.gz WXJHFNZNVAOQOZ-UHFFFAOYSA-N 0 3 281.312 -1.605 20 30 CAEDHN COCC#CCNCCNC(=O)c1cnn(C)n1 ZINC001135283264 781357695 /nfs/dbraw/zinc/35/76/95/781357695.db2.gz QKVCZIDEUNGIBE-UHFFFAOYSA-N 0 3 251.290 -1.216 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270624 781358554 /nfs/dbraw/zinc/35/85/54/781358554.db2.gz YVDUGMDEVNZCPR-UHFFFAOYSA-N 0 3 294.311 -2.506 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)n1 ZINC001135286796 781360315 /nfs/dbraw/zinc/36/03/15/781360315.db2.gz JLVXOOIKDIWCCC-VIFPVBQESA-N 0 3 280.332 -1.175 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)COc1cccnc1 ZINC001135344355 781363743 /nfs/dbraw/zinc/36/37/43/781363743.db2.gz OTHYFJZGAXMGKH-UHFFFAOYSA-N 0 3 290.323 -1.084 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)NC(C)=O ZINC001135381162 781364415 /nfs/dbraw/zinc/36/44/15/781364415.db2.gz REMRBSQQHRSNGL-JTQLQIEISA-N 0 3 296.371 -1.255 20 30 CAEDHN CC(=O)NC(C)(C)C(=O)NCCNCC(=O)NCC#N ZINC001135381325 781365176 /nfs/dbraw/zinc/36/51/76/781365176.db2.gz YYKWSNKWEHBJRP-UHFFFAOYSA-N 0 3 283.332 -1.753 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C(C)(C)NC(C)=O ZINC001135379425 781365354 /nfs/dbraw/zinc/36/53/54/781365354.db2.gz QJFBWFHJKKAEAY-UHFFFAOYSA-N 0 3 282.344 -1.644 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccncn1 ZINC001135539532 781373267 /nfs/dbraw/zinc/37/32/67/781373267.db2.gz ZAHXKLSJQHTDQP-JTQLQIEISA-N 0 3 275.312 -1.066 20 30 CAEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnon1 ZINC001135573892 781376969 /nfs/dbraw/zinc/37/69/69/781376969.db2.gz YYPTUAXGWRRMKZ-UHFFFAOYSA-N 0 3 296.287 -1.599 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CCc1ncccn1 ZINC001135555993 781377128 /nfs/dbraw/zinc/37/71/28/781377128.db2.gz HMLBUEVTYGLOSY-UHFFFAOYSA-N 0 3 289.339 -1.136 20 30 CAEDHN COCC#CCNCCNC(=O)CCn1cnnn1 ZINC001135677585 781379512 /nfs/dbraw/zinc/37/95/12/781379512.db2.gz PKUYVZYGXKMTAD-UHFFFAOYSA-N 0 3 266.305 -1.581 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CCn1cnnn1 ZINC001135702497 781381899 /nfs/dbraw/zinc/38/18/99/781381899.db2.gz JTOYOKLMWSCHEC-SNVBAGLBSA-N 0 3 295.347 -1.540 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135684678 781381952 /nfs/dbraw/zinc/38/19/52/781381952.db2.gz SIYWNCKGDTUODS-UHFFFAOYSA-N 0 3 280.292 -2.591 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CCn1cnnn1 ZINC001135702496 781382465 /nfs/dbraw/zinc/38/24/65/781382465.db2.gz JTOYOKLMWSCHEC-JTQLQIEISA-N 0 3 295.347 -1.540 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135760342 781383689 /nfs/dbraw/zinc/38/36/89/781383689.db2.gz MUDVYODAAKZZRI-UHFFFAOYSA-N 0 3 264.289 -1.702 20 30 CAEDHN C[C@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001135780938 781383741 /nfs/dbraw/zinc/38/37/41/781383741.db2.gz KPBMQVUJKPATPJ-NXEZZACHSA-N 0 3 268.317 -1.243 20 30 CAEDHN C[C@H]1OCC[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001135780943 781384535 /nfs/dbraw/zinc/38/45/35/781384535.db2.gz KPBMQVUJKPATPJ-ZJUUUORDSA-N 0 3 268.317 -1.243 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1CCO[C@H]1C ZINC001135783638 781385410 /nfs/dbraw/zinc/38/54/10/781385410.db2.gz SFMQKZFZRIQFJU-QWRGUYRKSA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135812859 781385746 /nfs/dbraw/zinc/38/57/46/781385746.db2.gz GMAGMQKHJUZFBM-UHFFFAOYSA-N 0 3 291.311 -1.818 20 30 CAEDHN 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COCCOCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001181698129 781698662 /nfs/dbraw/zinc/69/86/62/781698662.db2.gz BOCNANKBBZDDIF-LLVKDONJSA-N 0 3 298.343 -1.520 20 30 CAEDHN COCC#CCN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760159 781698968 /nfs/dbraw/zinc/69/89/68/781698968.db2.gz HWGOFOSBMIAEHK-SNVBAGLBSA-N 0 3 253.302 -1.298 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769783 781699883 /nfs/dbraw/zinc/69/98/83/781699883.db2.gz QPZYJPQAXMFSTP-SECBINFHSA-N 0 3 268.317 -1.646 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779953 781700097 /nfs/dbraw/zinc/70/00/97/781700097.db2.gz OYIWVQUPMDPRJR-VHSXEESVSA-N 0 3 282.344 -1.257 20 30 CAEDHN CN1CCC(O)(C(=O)N2CCNC[C@@H]2C#N)CC1 ZINC001182028709 781705019 /nfs/dbraw/zinc/70/50/19/781705019.db2.gz ZAAIAXKLOQVZHY-JTQLQIEISA-N 0 3 252.318 -1.233 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)n1 ZINC001151084666 781708339 /nfs/dbraw/zinc/70/83/39/781708339.db2.gz QMLUXKXMKCTKFG-SNVBAGLBSA-N 0 3 277.328 -1.123 20 30 CAEDHN C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001182145623 781712252 /nfs/dbraw/zinc/71/22/52/781712252.db2.gz SGDDQQJNRIZKSW-NXEZZACHSA-N 0 3 280.328 -1.810 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182164262 781713691 /nfs/dbraw/zinc/71/36/91/781713691.db2.gz RUGVEGURXIBIIF-VHSXEESVSA-N 0 3 297.359 -1.464 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182260220 781716158 /nfs/dbraw/zinc/71/61/58/781716158.db2.gz XYCHUZZLNXQVNO-RKDXNWHRSA-N 0 3 295.299 -2.075 20 30 CAEDHN Cn1nncc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001182266644 781716646 /nfs/dbraw/zinc/71/66/46/781716646.db2.gz DKUJTNUXSFRBHL-SECBINFHSA-N 0 3 291.315 -1.741 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182260232 781716694 /nfs/dbraw/zinc/71/66/94/781716694.db2.gz YJWSBUDDAQTIKX-ZJUUUORDSA-N 0 3 296.327 -1.413 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001182352049 781717674 /nfs/dbraw/zinc/71/76/74/781717674.db2.gz 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/nfs/dbraw/zinc/72/45/52/781724552.db2.gz IRUFYKNWQHQFLA-NXEZZACHSA-N 0 3 296.327 -1.590 20 30 CAEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001182505191 781724704 /nfs/dbraw/zinc/72/47/04/781724704.db2.gz RKOUBFZPJOSQOH-VXGBXAGGSA-N 0 3 292.339 -1.145 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496025 781724877 /nfs/dbraw/zinc/72/48/77/781724877.db2.gz CJUZZLLTZJLUOH-SNVBAGLBSA-N 0 3 273.358 -1.251 20 30 CAEDHN C#CCOCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182496294 781724894 /nfs/dbraw/zinc/72/48/94/781724894.db2.gz HHWVPVUXBPPBOW-SNVBAGLBSA-N 0 3 253.302 -1.298 20 30 CAEDHN COCC#CCN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182608011 781726405 /nfs/dbraw/zinc/72/64/05/781726405.db2.gz WVYIPDKZYCIZBL-LLVKDONJSA-N 0 3 278.316 -1.487 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182878968 781730588 /nfs/dbraw/zinc/73/05/88/781730588.db2.gz DDBRTXBMNGEEBF-LLVKDONJSA-N 0 3 292.343 -1.229 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182999431 781732683 /nfs/dbraw/zinc/73/26/83/781732683.db2.gz QOTHEAMSJMZTQA-SNVBAGLBSA-N 0 3 273.358 -1.299 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055092 781738571 /nfs/dbraw/zinc/73/85/71/781738571.db2.gz OQUVLLSBBBRPLA-SNVBAGLBSA-N 0 3 297.359 -1.592 20 30 CAEDHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001183054879 781739040 /nfs/dbraw/zinc/73/90/40/781739040.db2.gz GWCZAERTCRODFQ-SECBINFHSA-N 0 3 296.331 -2.254 20 30 CAEDHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001183421910 781742750 /nfs/dbraw/zinc/74/27/50/781742750.db2.gz JFGLUJVCPWWFSX-SECBINFHSA-N 0 3 295.343 -1.672 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422124 781743152 /nfs/dbraw/zinc/74/31/52/781743152.db2.gz PZKFEJCSDXGDAZ-SNVBAGLBSA-N 0 3 294.355 -1.562 20 30 CAEDHN CC#CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183792686 781758613 /nfs/dbraw/zinc/75/86/13/781758613.db2.gz CONLSULUDGXFPY-LLVKDONJSA-N 0 3 277.328 -1.204 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183901763 781759408 /nfs/dbraw/zinc/75/94/08/781759408.db2.gz BASXBNJDWJGOGW-SECBINFHSA-N 0 3 276.300 -1.642 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC001183992747 781761054 /nfs/dbraw/zinc/76/10/54/781761054.db2.gz PARBAGZDXLYFBD-LLVKDONJSA-N 0 3 289.339 -1.026 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184833155 781769771 /nfs/dbraw/zinc/76/97/71/781769771.db2.gz BHYNWKSAGJIWDW-MNOVXSKESA-N 0 3 292.339 -1.938 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184628029 781770726 /nfs/dbraw/zinc/77/07/26/781770726.db2.gz DEUQVDUUVVXKAM-SECBINFHSA-N 0 3 274.346 -2.136 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184859163 781771347 /nfs/dbraw/zinc/77/13/47/781771347.db2.gz WYFFHVHVBOCMJB-NXEZZACHSA-N 0 3 293.327 -2.047 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184859167 781771778 /nfs/dbraw/zinc/77/17/78/781771778.db2.gz WYFFHVHVBOCMJB-ZJUUUORDSA-N 0 3 293.327 -2.047 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184841810 781772002 /nfs/dbraw/zinc/77/20/02/781772002.db2.gz NEJPDCIDEQMMEK-WDEREUQCSA-N 0 3 296.371 -1.009 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184868559 781772106 /nfs/dbraw/zinc/77/21/06/781772106.db2.gz XCQJCWBBYZEAGL-WDEREUQCSA-N 0 3 294.355 -1.562 20 30 CAEDHN Cn1nnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 ZINC001184924687 781772153 /nfs/dbraw/zinc/77/21/53/781772153.db2.gz NDOKJKFJRHVPTB-MRVPVSSYSA-N 0 3 292.303 -2.346 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185256171 781777285 /nfs/dbraw/zinc/77/72/85/781777285.db2.gz DHXRTDSZUHTKFZ-ZJUUUORDSA-N 0 3 295.343 -1.840 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257654 781777425 /nfs/dbraw/zinc/77/74/25/781777425.db2.gz WMLDFZMTBFIVPL-RKDXNWHRSA-N 0 3 294.315 -2.502 20 30 CAEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185270411 781780916 /nfs/dbraw/zinc/78/09/16/781780916.db2.gz DZJOOMRSTLFNKD-ZJUUUORDSA-N 0 3 250.302 -1.118 20 30 CAEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185270410 781781710 /nfs/dbraw/zinc/78/17/10/781781710.db2.gz DZJOOMRSTLFNKD-NXEZZACHSA-N 0 3 250.302 -1.118 20 30 CAEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185265646 781782224 /nfs/dbraw/zinc/78/22/24/781782224.db2.gz RROXTGIKCUBDAF-MNOVXSKESA-N 0 3 280.328 -1.492 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289137 781783848 /nfs/dbraw/zinc/78/38/48/781783848.db2.gz KFDQPYLIIAWKPI-SNVBAGLBSA-N 0 3 292.339 -1.808 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185305692 781784317 /nfs/dbraw/zinc/78/43/17/781784317.db2.gz ZGFVVIGVOACBRX-SNVBAGLBSA-N 0 3 273.358 -1.121 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001185478133 781786845 /nfs/dbraw/zinc/78/68/45/781786845.db2.gz LJVVDJOYAQRQPK-MRVPVSSYSA-N 0 3 294.290 -1.007 20 30 CAEDHN COC[C@H](OC)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001185505453 781787745 /nfs/dbraw/zinc/78/77/45/781787745.db2.gz ZCVLABGITNFNTP-MNOVXSKESA-N 0 3 298.343 -1.522 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689484 781788988 /nfs/dbraw/zinc/78/89/88/781788988.db2.gz DGYYJHJTCOGHFC-BBBLOLIVSA-N 0 3 293.327 -2.062 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185959471 781791946 /nfs/dbraw/zinc/79/19/46/781791946.db2.gz MDYHSGZIMAIPIR-SNVBAGLBSA-N 0 3 288.373 -1.794 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163674 781801814 /nfs/dbraw/zinc/80/18/14/781801814.db2.gz AFXMFZIVHZKRGJ-LLVKDONJSA-N 0 3 294.355 -1.595 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186371048 781806358 /nfs/dbraw/zinc/80/63/58/781806358.db2.gz ANWXQNLDLGRALT-VXGBXAGGSA-N 0 3 294.355 -1.420 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186451785 781806538 /nfs/dbraw/zinc/80/65/38/781806538.db2.gz 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/nfs/dbraw/zinc/68/31/35/892683135.db2.gz LZPBTEBJACCIHC-SECBINFHSA-N 0 3 296.352 -1.427 20 30 CAEDHN C#CCNC[C@@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001482748068 892686863 /nfs/dbraw/zinc/68/68/63/892686863.db2.gz SXUVDWFDWWZOOA-GHMZBOCLSA-N 0 3 288.369 -1.489 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001482754040 892689291 /nfs/dbraw/zinc/68/92/91/892689291.db2.gz QGBRCHRGSMFFHI-CYBMUJFWSA-N 0 3 294.355 -1.010 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](F)C(C)C ZINC001482758887 892689624 /nfs/dbraw/zinc/68/96/24/892689624.db2.gz LNRRENPHENOGAT-ZYHUDNBSSA-N 0 3 287.335 -1.203 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnco1 ZINC001482753748 892689776 /nfs/dbraw/zinc/68/97/76/892689776.db2.gz OKKOKJMSMGSHLO-ZJUUUORDSA-N 0 3 294.311 -1.507 20 30 CAEDHN NC(=O)C(=O)NC[C@@H](O)CNCC#Cc1ccc(F)cc1 ZINC001482765289 892692548 /nfs/dbraw/zinc/69/25/48/892692548.db2.gz IOHOXDGNIOMNAF-LBPRGKRZSA-N 0 3 293.298 -1.271 20 30 CAEDHN CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNCC#CCOC ZINC001482770525 892694129 /nfs/dbraw/zinc/69/41/29/892694129.db2.gz TVQNFKNVENANBR-OLZOCXBDSA-N 0 3 299.371 -1.382 20 30 CAEDHN CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNCC#CCOC ZINC001482770526 892694198 /nfs/dbraw/zinc/69/41/98/892694198.db2.gz TVQNFKNVENANBR-QWHCGFSZSA-N 0 3 299.371 -1.382 20 30 CAEDHN C#CCNC[C@@H](O)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001482774388 892695735 /nfs/dbraw/zinc/69/57/35/892695735.db2.gz ACZSHIYWEZXKFC-PWSUYJOCSA-N 0 3 288.369 -1.346 20 30 CAEDHN CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNCC#CCOC ZINC001482770527 892696053 /nfs/dbraw/zinc/69/60/53/892696053.db2.gz TVQNFKNVENANBR-STQMWFEESA-N 0 3 299.371 -1.382 20 30 CAEDHN C[C@]1(C(=O)NC[C@@H](O)CNCC(=O)NCC#N)CCOC1 ZINC001482780524 892700566 /nfs/dbraw/zinc/70/05/66/892700566.db2.gz BVWLSHOMMOWPLM-GWCFXTLKSA-N 0 3 298.343 -1.881 20 30 CAEDHN C[C@@]1(C(=O)NC[C@H](O)CNCC(=O)NCC#N)CCOC1 ZINC001482780527 892701887 /nfs/dbraw/zinc/70/18/87/892701887.db2.gz BVWLSHOMMOWPLM-ZWNOBZJWSA-N 0 3 298.343 -1.881 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001482779934 892702229 /nfs/dbraw/zinc/70/22/29/892702229.db2.gz TXPGLIQZWBTIQJ-JTQLQIEISA-N 0 3 291.311 -2.094 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]cc1C ZINC001482790968 892706351 /nfs/dbraw/zinc/70/63/51/892706351.db2.gz MUAXPEJODKOEOQ-LLVKDONJSA-N 0 3 292.339 -1.247 20 30 CAEDHN C#CCNC[C@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001482797261 892709231 /nfs/dbraw/zinc/70/92/31/892709231.db2.gz MTYIORNECNWJNF-UWVGGRQHSA-N 0 3 274.342 -1.737 20 30 CAEDHN CCN(CCNCC(=O)NCC#N)C(=O)C(C)(C)C(N)=O ZINC001482931256 892714366 /nfs/dbraw/zinc/71/43/66/892714366.db2.gz HHAAPCJPQDNKGX-UHFFFAOYSA-N 0 3 297.359 -1.424 20 30 CAEDHN C#CCNC(=O)CNCCN(CC)C(=O)CN(C)C(C)=O ZINC001482910931 892714782 /nfs/dbraw/zinc/71/47/82/892714782.db2.gz ILPHHILBZDUMBJ-UHFFFAOYSA-N 0 3 296.371 -1.348 20 30 CAEDHN CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1COCCO1 ZINC001482922966 892715289 /nfs/dbraw/zinc/71/52/89/892715289.db2.gz ZIZXQDUZGGEKBX-LLVKDONJSA-N 0 3 298.343 -1.520 20 30 CAEDHN C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1nnc[n-]1 ZINC001482892029 892716189 /nfs/dbraw/zinc/71/61/89/892716189.db2.gz OBZZGYWCZOMYDU-VIFPVBQESA-N 0 3 293.331 -1.529 20 30 CAEDHN C#CCNC(=O)CNCCN(CC)C(=O)c1cnon1 ZINC001482957294 892719465 /nfs/dbraw/zinc/71/94/65/892719465.db2.gz YABQCEXUTJFUNU-UHFFFAOYSA-N 0 3 279.300 -1.129 20 30 CAEDHN C#CCNC/C=C/CNC(=O)CN(C)C(=O)COC ZINC001483015731 892720995 /nfs/dbraw/zinc/72/09/95/892720995.db2.gz NPIGKCGECFQRNI-AATRIKPKSA-N 0 3 267.329 -1.014 20 30 CAEDHN C#CCNC/C=C/CNC(=O)CN1C(=O)CN(C)C1=O ZINC001483090650 892728305 /nfs/dbraw/zinc/72/83/05/892728305.db2.gz ABUODKPCMXEMBM-SNAWJCMRSA-N 0 3 278.312 -1.224 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)CCn1cncn1 ZINC001483109443 892728404 /nfs/dbraw/zinc/72/84/04/892728404.db2.gz YMPDKJYNKUYBJV-LLVKDONJSA-N 0 3 292.343 -1.488 20 30 CAEDHN C#CCNC/C=C\CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001483096143 892730421 /nfs/dbraw/zinc/73/04/21/892730421.db2.gz JGTBGOBNELWCKE-UMBAGQNISA-N 0 3 271.342 -1.427 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001483124654 892731594 /nfs/dbraw/zinc/73/15/94/892731594.db2.gz OUKNDKGKKXSZLN-BDAKNGLRSA-N 0 3 282.300 -2.062 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001483123574 892731643 /nfs/dbraw/zinc/73/16/43/892731643.db2.gz HNJOSCIBABMSQX-UTLUCORTSA-N 0 3 299.375 -1.172 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)CC(C)(C)O ZINC001483122657 892733613 /nfs/dbraw/zinc/73/36/13/892733613.db2.gz LXHGQPFTLRXRDQ-SNVBAGLBSA-N 0 3 269.345 -1.009 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483164288 892736158 /nfs/dbraw/zinc/73/61/58/892736158.db2.gz XFMMEMWOEGNHTQ-NXEZZACHSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483162279 892737376 /nfs/dbraw/zinc/73/73/76/892737376.db2.gz NXNZSIDLQSIOLK-BDAKNGLRSA-N 0 3 281.316 -2.489 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@H]1CCCO1 ZINC001483206675 892740291 /nfs/dbraw/zinc/74/02/91/892740291.db2.gz LKPHHGMZRLRRRO-VHSXEESVSA-N 0 3 268.317 -1.101 20 30 CAEDHN CC(C)C#CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001483224680 892742530 /nfs/dbraw/zinc/74/25/30/892742530.db2.gz NHCKISIYGNMCDX-VIFPVBQESA-N 0 3 268.317 -1.065 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)Cn1cncn1 ZINC001483290956 892752010 /nfs/dbraw/zinc/75/20/10/892752010.db2.gz SNKIJUQLIGRRCL-QWRGUYRKSA-N 0 3 292.343 -1.490 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@]1(C)CCNC1=O ZINC001483265173 892752070 /nfs/dbraw/zinc/75/20/70/892752070.db2.gz PNIFTAFOXOKUOB-TVQRCGJNSA-N 0 3 295.343 -1.753 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001483278036 892752773 /nfs/dbraw/zinc/75/27/73/892752773.db2.gz PSWZXOSMLWEPQF-JTQLQIEISA-N 0 3 277.328 -1.204 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](NC(=O)COC)C1CC1 ZINC001483535412 892766935 /nfs/dbraw/zinc/76/69/35/892766935.db2.gz HCQADAKBZWQKSC-LLVKDONJSA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCN1CC[C@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001484021762 892795133 /nfs/dbraw/zinc/79/51/33/892795133.db2.gz FSTNTFUEFARFOG-AWEZNQCLSA-N 0 3 292.383 -1.026 20 30 CAEDHN C=CCN1CC[C@@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001484053197 892801133 /nfs/dbraw/zinc/80/11/33/892801133.db2.gz AOQUYWDCAHYGEW-LLVKDONJSA-N 0 3 290.389 -1.193 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484233513 892815611 /nfs/dbraw/zinc/81/56/11/892815611.db2.gz FZLSIYUVPREWLA-GFCCVEGCSA-N 0 3 267.329 -1.009 20 30 CAEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001484254237 892821275 /nfs/dbraw/zinc/82/12/75/892821275.db2.gz IBNBXIFEJFYJKY-HZMBPMFUSA-N 0 3 295.339 -1.222 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001484254239 892828879 /nfs/dbraw/zinc/82/88/79/892828879.db2.gz IBNBXIFEJFYJKY-QMTHXVAHSA-N 0 3 295.339 -1.222 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)CC(N)=O ZINC001484478747 892861241 /nfs/dbraw/zinc/86/12/41/892861241.db2.gz AKKWNULNGOBNRN-UHFFFAOYSA-N 0 3 271.317 -2.078 20 30 CAEDHN CC(C)C#CC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484481099 892867413 /nfs/dbraw/zinc/86/74/13/892867413.db2.gz DBMGOSKHDZLGMU-GFCCVEGCSA-N 0 3 281.356 -1.055 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1nnn(C)n1 ZINC001484490456 892867572 /nfs/dbraw/zinc/86/75/72/892867572.db2.gz DAUFQGISCOSBFQ-UHFFFAOYSA-N 0 3 252.278 -2.133 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)c1ncn(C)n1 ZINC001484481525 892868956 /nfs/dbraw/zinc/86/89/56/892868956.db2.gz RGAQUUXAPVDGPI-UHFFFAOYSA-N 0 3 295.343 -1.511 20 30 CAEDHN CC(C)C#CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001484481490 892869158 /nfs/dbraw/zinc/86/91/58/892869158.db2.gz QRLUWBDGMFTEME-NSHDSACASA-N 0 3 269.345 -1.070 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)[C@H](C)NC(N)=O ZINC001484482947 892869794 /nfs/dbraw/zinc/86/97/94/892869794.db2.gz TVFNWSZWJMLSNY-JTQLQIEISA-N 0 3 270.333 -1.523 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001484501154 892871304 /nfs/dbraw/zinc/87/13/04/892871304.db2.gz MVWLRWWKEATMLI-JTQLQIEISA-N 0 3 289.357 -2.278 20 30 CAEDHN C#CCNCCN(CCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001484495724 892871100 /nfs/dbraw/zinc/87/11/00/892871100.db2.gz RFRPPKGTHLUGLR-UHFFFAOYSA-N 0 3 290.385 -1.147 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)Cn1cncn1 ZINC001484500205 892872301 /nfs/dbraw/zinc/87/23/01/892872301.db2.gz LTSROMUXAZYLLJ-UHFFFAOYSA-N 0 3 265.317 -1.288 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001484493961 892872548 /nfs/dbraw/zinc/87/25/48/892872548.db2.gz ZLAXCHKGGAYHGD-LLVKDONJSA-N 0 3 298.343 -2.272 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001484495351 892873345 /nfs/dbraw/zinc/87/33/45/892873345.db2.gz JUQWNTZRBZJPLP-JTQLQIEISA-N 0 3 296.327 -1.982 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001484501155 892873439 /nfs/dbraw/zinc/87/34/39/892873439.db2.gz MVWLRWWKEATMLI-SNVBAGLBSA-N 0 3 289.357 -2.278 20 30 CAEDHN CC#CCNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001484667644 892879628 /nfs/dbraw/zinc/87/96/28/892879628.db2.gz FKEZUQKOVXIYDW-NSHDSACASA-N 0 3 288.369 -1.129 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001484684564 892885352 /nfs/dbraw/zinc/88/53/52/892885352.db2.gz FIFGGHCZRTUFNT-JTQLQIEISA-N 0 3 276.296 -1.166 20 30 CAEDHN C[C@H](C#N)C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 ZINC001484671035 892885946 /nfs/dbraw/zinc/88/59/46/892885946.db2.gz KWLSIKOSGAMNRW-GHMZBOCLSA-N 0 3 293.327 -1.397 20 30 CAEDHN N#CCNC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001484688312 892885984 /nfs/dbraw/zinc/88/59/84/892885984.db2.gz VIOMNXJGXAWUQM-MRVPVSSYSA-N 0 3 283.288 -3.072 20 30 CAEDHN CC(=O)NC1(CNCC(=O)NCC#N)CCOCC1 ZINC001484854878 892894679 /nfs/dbraw/zinc/89/46/79/892894679.db2.gz GRHHHENZGGHQHE-UHFFFAOYSA-N 0 3 268.317 -1.099 20 30 CAEDHN C#CCOCCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001484952632 892897352 /nfs/dbraw/zinc/89/73/52/892897352.db2.gz JCQUCGTXLPHJIH-UHFFFAOYSA-N 0 3 297.355 -1.545 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001484897998 892897972 /nfs/dbraw/zinc/89/79/72/892897972.db2.gz SXKBVEKQQMFTJF-BDAKNGLRSA-N 0 3 268.317 -1.790 20 30 CAEDHN C=CCNC(=O)CNCC1(NC(=O)C(N)=O)CCOCC1 ZINC001484867586 892898972 /nfs/dbraw/zinc/89/89/72/892898972.db2.gz JSAVCNFFWYMVQQ-UHFFFAOYSA-N 0 3 298.343 -1.971 20 30 CAEDHN C#CCCN1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001485018366 892902641 /nfs/dbraw/zinc/90/26/41/892902641.db2.gz FJTGWWQDTLGNFD-UHFFFAOYSA-N 0 3 292.343 -1.361 20 30 CAEDHN CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N ZINC001485130515 892907554 /nfs/dbraw/zinc/90/75/54/892907554.db2.gz RGUKVDKVNVBGBW-UWVGGRQHSA-N 0 3 297.359 -1.365 20 30 CAEDHN C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1cnon1 ZINC001485203264 892912813 /nfs/dbraw/zinc/91/28/13/892912813.db2.gz BTSVSXOJEXQKOU-YUMQZZPRSA-N 0 3 280.288 -1.194 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001485198725 892914316 /nfs/dbraw/zinc/91/43/16/892914316.db2.gz KZGQCFXTSJHRAL-ZJUUUORDSA-N 0 3 292.343 -1.339 20 30 CAEDHN C=CCN(C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001485390201 892923125 /nfs/dbraw/zinc/92/31/25/892923125.db2.gz XQEWUPHLBYCHAY-SECBINFHSA-N 0 3 280.332 -1.001 20 30 CAEDHN C[C@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646594 892938081 /nfs/dbraw/zinc/93/80/81/892938081.db2.gz ZNKCDCBYWZSQPZ-IUCAKERBSA-N 0 3 297.315 -2.683 20 30 CAEDHN C[C@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646593 892940172 /nfs/dbraw/zinc/94/01/72/892940172.db2.gz ZNKCDCBYWZSQPZ-DTWKUNHWSA-N 0 3 297.315 -2.683 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)CN1C(=O)CNC1=O ZINC001485776477 892941414 /nfs/dbraw/zinc/94/14/14/892941414.db2.gz STDOPNAVQJOLJR-UHFFFAOYSA-N 0 3 296.327 -1.764 20 30 CAEDHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001485841451 892947413 /nfs/dbraw/zinc/94/74/13/892947413.db2.gz AWXCRNOMUWICTC-SECBINFHSA-N 0 3 283.332 -1.801 20 30 CAEDHN CC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NCC#N ZINC001485841452 892948848 /nfs/dbraw/zinc/94/88/48/892948848.db2.gz AWXCRNOMUWICTC-VIFPVBQESA-N 0 3 283.332 -1.801 20 30 CAEDHN COCC#CCN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485844080 892949261 /nfs/dbraw/zinc/94/92/61/892949261.db2.gz DTWNGDJPVIWGGT-NSHDSACASA-N 0 3 280.332 -1.241 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCNC1=O ZINC001485908828 892952080 /nfs/dbraw/zinc/95/20/80/892952080.db2.gz BZYUVJCLHKBBPH-MNOVXSKESA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485924371 892952845 /nfs/dbraw/zinc/95/28/45/892952845.db2.gz ZQDSAGYZQSUQRT-AXFHLTTASA-N 0 3 296.371 -1.154 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1nc[nH]n1 ZINC001485932975 892955214 /nfs/dbraw/zinc/95/52/14/892955214.db2.gz GIPKEVBVQGVVDI-SECBINFHSA-N 0 3 278.316 -1.396 20 30 CAEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001485930415 892955716 /nfs/dbraw/zinc/95/57/16/892955716.db2.gz QYBUWRRFFMAZNE-JQWIXIFHSA-N 0 3 296.371 -1.174 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)c1nccnc1N ZINC001485982290 892968887 /nfs/dbraw/zinc/96/88/87/892968887.db2.gz KKOOUFKAYXYULN-QMMMGPOBSA-N 0 3 251.290 -1.075 20 30 CAEDHN COCC#CCNC[C@H](O)CN(C)C(=O)COC ZINC001486255729 893018812 /nfs/dbraw/zinc/01/88/12/893018812.db2.gz QVHMTNWCSQGJCK-NSHDSACASA-N 0 3 258.318 -1.309 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001486033803 892993821 /nfs/dbraw/zinc/99/38/21/892993821.db2.gz KKOWUCWELPUCRF-MRVPVSSYSA-N 0 3 266.301 -1.020 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001486033804 892995312 /nfs/dbraw/zinc/99/53/12/892995312.db2.gz KKOWUCWELPUCRF-QMMMGPOBSA-N 0 3 266.301 -1.020 20 30 CAEDHN C#CCN[C@H](CO)CNC(=O)Cn1ccnc1C ZINC001486062494 893007249 /nfs/dbraw/zinc/00/72/49/893007249.db2.gz WVSWKNXFKZTDNC-NSHDSACASA-N 0 3 250.302 -1.109 20 30 CAEDHN C#CCNC(=O)CN[C@H](CO)CNC(=O)CN1CCCC1 ZINC001486061084 893008283 /nfs/dbraw/zinc/00/82/83/893008283.db2.gz HBQAKGDSOXSITG-LBPRGKRZSA-N 0 3 296.371 -2.102 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001486065791 893011645 /nfs/dbraw/zinc/01/16/45/893011645.db2.gz KIWCMNQIPGLLJR-VHSXEESVSA-N 0 3 278.374 -1.080 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241787 893019622 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C=CCN(C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001486345488 893062056 /nfs/dbraw/zinc/06/20/56/893062056.db2.gz ROFDNCREQOMHGY-GFCCVEGCSA-N 0 3 298.387 -1.645 20 30 CAEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001486345489 893062190 /nfs/dbraw/zinc/06/21/90/893062190.db2.gz ROFDNCREQOMHGY-LBPRGKRZSA-N 0 3 298.387 -1.645 20 30 CAEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001486360559 893067598 /nfs/dbraw/zinc/06/75/98/893067598.db2.gz NNQIVMGRTIUZQT-WDEREUQCSA-N 0 3 297.355 -1.024 20 30 CAEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001486360558 893069332 /nfs/dbraw/zinc/06/93/32/893069332.db2.gz NNQIVMGRTIUZQT-QWRGUYRKSA-N 0 3 297.355 -1.024 20 30 CAEDHN C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[n-]1 ZINC001486357326 893069434 /nfs/dbraw/zinc/06/94/34/893069434.db2.gz XLQDARGRLHXQFH-JTQLQIEISA-N 0 3 265.317 -1.269 20 30 CAEDHN C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[n-]1 ZINC001486357326 893069454 /nfs/dbraw/zinc/06/94/54/893069454.db2.gz 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CC#CCN[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001491470094 893275524 /nfs/dbraw/zinc/27/55/24/893275524.db2.gz PIXJPUXWTHXMCX-SNVBAGLBSA-N 0 3 275.374 -1.005 20 30 CAEDHN CC#CCN[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001491470093 893275731 /nfs/dbraw/zinc/27/57/31/893275731.db2.gz PIXJPUXWTHXMCX-JTQLQIEISA-N 0 3 275.374 -1.005 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445257 893277883 /nfs/dbraw/zinc/27/78/83/893277883.db2.gz SYQZBQAJZIEWMJ-UWVGGRQHSA-N 0 3 292.343 -1.339 20 30 CAEDHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)NCC(=O)NCC#N ZINC001491454980 893278099 /nfs/dbraw/zinc/27/80/99/893278099.db2.gz NHMCGKZFWNGTGQ-GHMZBOCLSA-N 0 3 298.343 -1.474 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001491545445 893289061 /nfs/dbraw/zinc/28/90/61/893289061.db2.gz BRBCKPLZUABWJR-UWVGGRQHSA-N 0 3 280.328 -2.034 20 30 CAEDHN C[C@H](CNC(=O)Cc1cnoc1)NCC(=O)NCC#N ZINC001491556548 893289571 /nfs/dbraw/zinc/28/95/71/893289571.db2.gz AAXHPGFMIOHCEI-SECBINFHSA-N 0 3 279.300 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893408558 /nfs/dbraw/zinc/40/85/58/893408558.db2.gz WVFZPYLSCSSWSO-UHFFFAOYSA-N 0 3 293.327 -1.165 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001493589906 893408904 /nfs/dbraw/zinc/40/89/04/893408904.db2.gz VELYWJHLSYJMOY-LLVKDONJSA-N 0 3 294.355 -1.548 20 30 CAEDHN Cc1cncn1CC(=O)N(C)CCNCC(=O)NCC#N ZINC001493630748 893409224 /nfs/dbraw/zinc/40/92/24/893409224.db2.gz NFBPCUYOIGDNGX-UHFFFAOYSA-N 0 3 292.343 -1.121 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)c1n[nH]cc1F ZINC001493690195 893410868 /nfs/dbraw/zinc/41/08/68/893410868.db2.gz SREAHXNXKWRUDV-UHFFFAOYSA-N 0 3 282.279 -1.150 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001493676737 893411939 /nfs/dbraw/zinc/41/19/39/893411939.db2.gz OAHDBOHUFGQRPT-UHFFFAOYSA-N 0 3 291.311 -1.819 20 30 CAEDHN CC#CCNCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001493707287 893413798 /nfs/dbraw/zinc/41/37/98/893413798.db2.gz WCARYWUWTNKKIP-SNVBAGLBSA-N 0 3 275.374 -1.005 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)Cc1ncc[nH]1 ZINC001493742411 893414369 /nfs/dbraw/zinc/41/43/69/893414369.db2.gz PXIGEAUNYJUUSQ-UHFFFAOYSA-N 0 3 278.316 -1.360 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)c1ncccn1 ZINC001493737448 893414535 /nfs/dbraw/zinc/41/45/35/893414535.db2.gz RMXLRUWGCWDTOI-UHFFFAOYSA-N 0 3 275.312 -1.112 20 30 CAEDHN CC#CCNCCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001493721054 893414588 /nfs/dbraw/zinc/41/45/88/893414588.db2.gz SHAACEMDGZXDJF-NSHDSACASA-N 0 3 282.344 -1.562 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)CCn1cnnn1 ZINC001493742608 893415021 /nfs/dbraw/zinc/41/50/21/893415021.db2.gz RRPGGEKTMKPRLB-UHFFFAOYSA-N 0 3 294.319 -2.249 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)c1cccnn1 ZINC001493739849 893415139 /nfs/dbraw/zinc/41/51/39/893415139.db2.gz XHTVVFWZWJBVNF-UHFFFAOYSA-N 0 3 276.300 -1.222 20 30 CAEDHN CC#CCNCCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001493707286 893415601 /nfs/dbraw/zinc/41/56/01/893415601.db2.gz WCARYWUWTNKKIP-JTQLQIEISA-N 0 3 275.374 -1.005 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)Cn1ccnc1 ZINC001493809002 893418111 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C#CCNC(=O)CNC[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001496943724 893544968 /nfs/dbraw/zinc/54/49/68/893544968.db2.gz CXVBDFBBMRSNGD-LLVKDONJSA-N 0 3 298.343 -2.719 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001496943725 893548420 /nfs/dbraw/zinc/54/84/20/893548420.db2.gz CXVBDFBBMRSNGD-NSHDSACASA-N 0 3 298.343 -2.719 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001496937849 893549671 /nfs/dbraw/zinc/54/96/71/893549671.db2.gz IVGSAOXVRUBSES-NXEZZACHSA-N 0 3 284.316 -2.128 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944802 893551453 /nfs/dbraw/zinc/55/14/53/893551453.db2.gz LFGXXZOLFUQVMN-ZJUUUORDSA-N 0 3 295.343 -1.219 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944801 893551917 /nfs/dbraw/zinc/55/19/17/893551917.db2.gz LFGXXZOLFUQVMN-VHSXEESVSA-N 0 3 295.343 -1.219 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944796 893552032 /nfs/dbraw/zinc/55/20/32/893552032.db2.gz 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893571718 /nfs/dbraw/zinc/57/17/18/893571718.db2.gz YQLDDDKCDFYOEG-LBPRGKRZSA-N 0 3 281.356 -1.055 20 30 CAEDHN C[C@H](NC[C@@H](O)CNC(=O)C#CC(C)(C)C)C(N)=O ZINC001496980129 893572481 /nfs/dbraw/zinc/57/24/81/893572481.db2.gz MHYDHSIYCKEUFN-VHSXEESVSA-N 0 3 269.345 -1.024 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001496979887 893573576 /nfs/dbraw/zinc/57/35/76/893573576.db2.gz KUKOIHSFOKJWDW-ZJUUUORDSA-N 0 3 295.343 -1.219 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496983956 893574202 /nfs/dbraw/zinc/57/42/02/893574202.db2.gz YMWIOSNASANPHL-DGCLKSJQSA-N 0 3 291.351 -1.396 20 30 CAEDHN CNC(=O)NCC(=O)NC[C@@H](O)CNCC#CCOC ZINC001496990193 893574444 /nfs/dbraw/zinc/57/44/44/893574444.db2.gz GXDABBZDBBFKQQ-JTQLQIEISA-N 0 3 286.332 -2.368 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1csnn1 ZINC001497025671 893586081 /nfs/dbraw/zinc/58/60/81/893586081.db2.gz QOMPJJGAQPVBTR-QMMMGPOBSA-N 0 3 297.340 -2.032 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)CC(C)(F)F ZINC001497046358 893589658 /nfs/dbraw/zinc/58/96/58/893589658.db2.gz JJHAWWOGFDUCHC-VIFPVBQESA-N 0 3 291.298 -1.152 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001497039495 893590752 /nfs/dbraw/zinc/59/07/52/893590752.db2.gz HNSDAGFUWTXBST-WCQYABFASA-N 0 3 288.319 -1.169 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497062311 893592258 /nfs/dbraw/zinc/59/22/58/893592258.db2.gz IGCOELWBACGEGH-WDEREUQCSA-N 0 3 279.340 -1.397 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497062310 893592490 /nfs/dbraw/zinc/59/24/90/893592490.db2.gz IGCOELWBACGEGH-QWRGUYRKSA-N 0 3 279.340 -1.397 20 30 CAEDHN N#Cc1cc(CNC[C@@H](O)CNC(=O)C(N)=O)ccc1F ZINC001497049073 893593498 /nfs/dbraw/zinc/59/34/98/893593498.db2.gz RCEUPGBPJJAGGT-SNVBAGLBSA-N 0 3 294.286 -1.251 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497062306 893593587 /nfs/dbraw/zinc/59/35/87/893593587.db2.gz IGCOELWBACGEGH-GHMZBOCLSA-N 0 3 279.340 -1.397 20 30 CAEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497058939 893594609 /nfs/dbraw/zinc/59/46/09/893594609.db2.gz UMTNKSSMIUHHRN-BBBLOLIVSA-N 0 3 271.317 -1.871 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497062308 893594839 /nfs/dbraw/zinc/59/48/39/893594839.db2.gz IGCOELWBACGEGH-MNOVXSKESA-N 0 3 279.340 -1.397 20 30 CAEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497069678 893597025 /nfs/dbraw/zinc/59/70/25/893597025.db2.gz BXSJGGYDHVCSAI-NHCYSSNCSA-N 0 3 285.344 -1.480 20 30 CAEDHN Cc1c[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001497112729 893604121 /nfs/dbraw/zinc/60/41/21/893604121.db2.gz FIQGUGHNTCWGRO-JTQLQIEISA-N 0 3 293.327 -1.357 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001497125089 893608479 /nfs/dbraw/zinc/60/84/79/893608479.db2.gz FESSDUZFRDDOFB-LBPRGKRZSA-N 0 3 280.328 -1.400 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)CC(N)=O ZINC001497368438 893617712 /nfs/dbraw/zinc/61/77/12/893617712.db2.gz 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C#CCO[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001127045784 775843447 /nfs/dbraw/zinc/84/34/47/775843447.db2.gz HDSZBSJKXRTLNF-QMMMGPOBSA-N 0 3 270.289 -2.075 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001127046975 775844131 /nfs/dbraw/zinc/84/41/31/775844131.db2.gz XACRBBJKHRHXKO-SNVBAGLBSA-N 0 3 255.318 -1.181 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001127046063 775844163 /nfs/dbraw/zinc/84/41/63/775844163.db2.gz KYNOPARSWDKZIS-GFCCVEGCSA-N 0 3 297.355 -1.411 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NC ZINC001127046893 775844173 /nfs/dbraw/zinc/84/41/73/775844173.db2.gz VQOYOFIOGVWFPT-VIFPVBQESA-N 0 3 284.316 -1.814 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001127052012 775844219 /nfs/dbraw/zinc/84/42/19/775844219.db2.gz PDTRMFPYGHNOEV-DTWKUNHWSA-N 0 3 284.316 -1.686 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001127046605 775844290 /nfs/dbraw/zinc/84/42/90/775844290.db2.gz TUAFGFDIFLIORD-NXEZZACHSA-N 0 3 255.318 -1.135 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001127046608 775844304 /nfs/dbraw/zinc/84/43/04/775844304.db2.gz TUAFGFDIFLIORD-ZJUUUORDSA-N 0 3 255.318 -1.135 20 30 CAEDHN C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001127052014 775844323 /nfs/dbraw/zinc/84/43/23/775844323.db2.gz PDTRMFPYGHNOEV-RKDXNWHRSA-N 0 3 284.316 -1.686 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127133800 775862304 /nfs/dbraw/zinc/86/23/04/775862304.db2.gz DHNULHRVOYBABE-LLVKDONJSA-N 0 3 283.328 -1.753 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127134441 775863811 /nfs/dbraw/zinc/86/38/11/775863811.db2.gz LRGIFWYOZLRUES-SNVBAGLBSA-N 0 3 284.316 -1.863 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C[C@H](C)NC(N)=O ZINC001127153719 775868305 /nfs/dbraw/zinc/86/83/05/775868305.db2.gz ANAHOLSWYJJQHA-VIFPVBQESA-N 0 3 283.332 -2.112 20 30 CAEDHN C[C@H](NC[C@@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001272414941 775910022 /nfs/dbraw/zinc/91/00/22/775910022.db2.gz SXSBAEDNFBDTNQ-WCBMZHEXSA-N 0 3 253.302 -1.660 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)NC(N)=O ZINC001127161166 775870800 /nfs/dbraw/zinc/87/08/00/775870800.db2.gz DAFDFYWAFRQUMM-UWVGGRQHSA-N 0 3 299.375 -1.170 20 30 CAEDHN C#Cc1ccc(C(=O)N(CCO)CCNCC(N)=O)cn1 ZINC001272295312 775889497 /nfs/dbraw/zinc/88/94/97/775889497.db2.gz PAAKCNZNRVUBCP-UHFFFAOYSA-N 0 3 290.323 -1.428 20 30 CAEDHN CCOCC(=O)NC[C@@H](O)CNCC#CCOC ZINC001272352469 775896979 /nfs/dbraw/zinc/89/69/79/775896979.db2.gz VAAGKIBIBFENHF-NSHDSACASA-N 0 3 258.318 -1.261 20 30 CAEDHN N#CCNC(=O)CNC[C@H](O)CNC(=O)C1CCC1 ZINC001272351464 775897443 /nfs/dbraw/zinc/89/74/43/775897443.db2.gz LLZKLRHCRYJDRZ-JTQLQIEISA-N 0 3 268.317 -1.507 20 30 CAEDHN C=CCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CC1 ZINC001272351338 775897737 /nfs/dbraw/zinc/89/77/37/775897737.db2.gz INJJYTFBOJPYLI-JTQLQIEISA-N 0 3 298.343 -1.525 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(C)(F)F ZINC001272352904 775897897 /nfs/dbraw/zinc/89/78/97/775897897.db2.gz WOCRGIZCCTZFHF-RKDXNWHRSA-N 0 3 291.298 -1.154 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1CCC1 ZINC001272352470 775897926 /nfs/dbraw/zinc/89/79/26/775897926.db2.gz VAAIOKUFGJYZSI-CMPLNLGQSA-N 0 3 281.356 -1.009 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510252 775898953 /nfs/dbraw/zinc/89/89/53/775898953.db2.gz NAGGFTABWQWDNI-GMTAPVOTSA-N 0 3 282.344 -1.253 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccoc1 ZINC001272361273 775899416 /nfs/dbraw/zinc/89/94/16/775899416.db2.gz GPUGMCPTGRFKRV-LLVKDONJSA-N 0 3 279.296 -1.291 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)c1cnns1 ZINC001272370849 775899617 /nfs/dbraw/zinc/89/96/17/775899617.db2.gz HFORFSVYFVDMOK-QMMMGPOBSA-N 0 3 299.356 -1.479 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnns1 ZINC001272370848 775899689 /nfs/dbraw/zinc/89/96/89/775899689.db2.gz HFORFSVYFVDMOK-MRVPVSSYSA-N 0 3 299.356 -1.479 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001272373791 775901396 /nfs/dbraw/zinc/90/13/96/775901396.db2.gz ZVFUTHAUSQYQAT-SNVBAGLBSA-N 0 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779922225 /nfs/dbraw/zinc/92/22/25/779922225.db2.gz DDRRPORNRUXTSM-NMIRZEMHSA-N 0 3 258.347 -1.594 20 30 CAEDHN N#C[C@@H]1CNCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001157982849 779922131 /nfs/dbraw/zinc/92/21/31/779922131.db2.gz SXFBERQYMYOZTI-MNOVXSKESA-N 0 3 279.344 -1.350 20 30 CAEDHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCNC[C@H]1C#N ZINC001157982543 779922413 /nfs/dbraw/zinc/92/24/13/779922413.db2.gz OLWHMOLBMPZGQW-UMNHJUIQSA-N 0 3 281.360 -1.200 20 30 CAEDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCNC[C@H]1C#N ZINC001157981609 779922418 /nfs/dbraw/zinc/92/24/18/779922418.db2.gz DDRRPORNRUXTSM-KSRUKNBBSA-N 0 3 258.347 -1.594 20 30 CAEDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCOC[C@H]1C#N ZINC001160933155 779987943 /nfs/dbraw/zinc/98/79/43/779987943.db2.gz IFDIQENTXBLMFW-KSRUKNBBSA-N 0 3 259.331 -1.167 20 30 CAEDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCN[C@H](C#N)C1 ZINC001160652978 779975162 /nfs/dbraw/zinc/97/51/62/779975162.db2.gz SVCZLFAQLURBKO-KSRUKNBBSA-N 0 3 258.347 -1.594 20 30 CAEDHN C[S@](=O)CC[C@H](N)C(=O)N1CCN[C@H](C#N)C1 ZINC001160652979 779975421 /nfs/dbraw/zinc/97/54/21/779975421.db2.gz SVCZLFAQLURBKO-NMIRZEMHSA-N 0 3 258.347 -1.594 20 30 CAEDHN N#C[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001160877766 779984942 /nfs/dbraw/zinc/98/49/42/779984942.db2.gz CAKQNQLGTVSAGG-NXEZZACHSA-N 0 3 266.301 -1.932 20 30 CAEDHN C#CC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001160913043 779986348 /nfs/dbraw/zinc/98/63/48/779986348.db2.gz QMUJHHNXNONMBZ-ONGXEEELSA-N 0 3 294.355 -1.434 20 30 CAEDHN N#C[C@H]1COCCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160933637 779987721 /nfs/dbraw/zinc/98/77/21/779987721.db2.gz MSKNYIZETFPEFE-UWVGGRQHSA-N 0 3 266.301 -1.932 20 30 CAEDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCOC[C@@H]1C#N ZINC001160933154 779987845 /nfs/dbraw/zinc/98/78/45/779987845.db2.gz IFDIQENTXBLMFW-IRWWLHRVSA-N 0 3 259.331 -1.167 20 30 CAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCC(O)CC2)C1 ZINC001161183158 780001882 /nfs/dbraw/zinc/00/18/82/780001882.db2.gz VZBWRNMFRFXAQE-ZJUUUORDSA-N 0 3 292.357 -1.324 20 30 CAEDHN C#CCN1CCC(CNC(=O)C(N)=O)(COC)CC1 ZINC001162449612 780052045 /nfs/dbraw/zinc/05/20/45/780052045.db2.gz HUXVKGWKBYGNMA-UHFFFAOYSA-N 0 3 267.329 -1.050 20 30 CAEDHN C=C(Cl)CNCCCNC(=O)CNS(=O)(=O)NC ZINC001163290219 780058455 /nfs/dbraw/zinc/05/84/55/780058455.db2.gz DURAHGQRQWSXRA-UHFFFAOYSA-N 0 3 298.796 -1.111 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206892704 780112779 /nfs/dbraw/zinc/11/27/79/780112779.db2.gz DELUYDBJBGTODA-GHMZBOCLSA-N 0 3 267.329 -1.445 20 30 CAEDHN COCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 ZINC001206981035 780113571 /nfs/dbraw/zinc/11/35/71/780113571.db2.gz WCJBFGMYKUZLHA-SNVBAGLBSA-N 0 3 268.317 -1.147 20 30 CAEDHN COCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001206981034 780113655 /nfs/dbraw/zinc/11/36/55/780113655.db2.gz WCJBFGMYKUZLHA-JTQLQIEISA-N 0 3 268.317 -1.147 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259261 780117703 /nfs/dbraw/zinc/11/77/03/780117703.db2.gz ZDSVZNKIZQXUBR-SNVBAGLBSA-N 0 3 295.343 -2.015 20 30 CAEDHN CC(=O)NCC(=O)N[C@H](CNCC(=O)NCC#N)C1CC1 ZINC001276534767 780118645 /nfs/dbraw/zinc/11/86/45/780118645.db2.gz ANBNHENQDUTNOF-LLVKDONJSA-N 0 3 295.343 -1.753 20 30 CAEDHN C=CCOCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207680986 780119305 /nfs/dbraw/zinc/11/93/05/780119305.db2.gz YCURBNJVFCEYFO-SNVBAGLBSA-N 0 3 298.343 -1.036 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725957 780120800 /nfs/dbraw/zinc/12/08/00/780120800.db2.gz UTOLXNGHKTVEAV-WDEREUQCSA-N 0 3 294.355 -1.420 20 30 CAEDHN C#CCNC(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207870500 780120972 /nfs/dbraw/zinc/12/09/72/780120972.db2.gz ZXSSAXYRXKFNPO-JTQLQIEISA-N 0 3 280.328 -1.808 20 30 CAEDHN C#CCNC(=O)CC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207871863 780122247 /nfs/dbraw/zinc/12/22/47/780122247.db2.gz DQPGEMAFMDEVRU-WDEREUQCSA-N 0 3 294.355 -1.420 20 30 CAEDHN C#CCNC(=O)CC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207871860 780122306 /nfs/dbraw/zinc/12/23/06/780122306.db2.gz DQPGEMAFMDEVRU-GHMZBOCLSA-N 0 3 294.355 -1.420 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889908 780122326 /nfs/dbraw/zinc/12/23/26/780122326.db2.gz SCLYQFUJXKHHNT-NSHDSACASA-N 0 3 294.355 -1.548 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889907 780122356 /nfs/dbraw/zinc/12/23/56/780122356.db2.gz SCLYQFUJXKHHNT-LLVKDONJSA-N 0 3 294.355 -1.548 20 30 CAEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209218077 780131406 /nfs/dbraw/zinc/13/14/06/780131406.db2.gz ZHEGKCUBOYDJSN-ADEWGFFLSA-N 0 3 296.371 -1.011 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001276647823 780133975 /nfs/dbraw/zinc/13/39/75/780133975.db2.gz AAKZNMMSVNYLMW-PSASIEDQSA-N 0 3 282.344 -1.353 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001276647825 780134051 /nfs/dbraw/zinc/13/40/51/780134051.db2.gz AAKZNMMSVNYLMW-WCBMZHEXSA-N 0 3 282.344 -1.353 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366357 780134883 /nfs/dbraw/zinc/13/48/83/780134883.db2.gz QYTQQTFYZNQPEG-UWVGGRQHSA-N 0 3 280.328 -1.810 20 30 CAEDHN N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001210198432 780138194 /nfs/dbraw/zinc/13/81/94/780138194.db2.gz MEEXEGTUDVHTNF-VIFPVBQESA-N 0 3 291.315 -1.361 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001210236525 780139056 /nfs/dbraw/zinc/13/90/56/780139056.db2.gz OERFICBXCQHPBF-VIFPVBQESA-N 0 3 292.299 -1.096 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214059301 780148465 /nfs/dbraw/zinc/14/84/65/780148465.db2.gz VQPWSYXYKLLOOP-ZYHUDNBSSA-N 0 3 294.355 -1.692 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214369950 780150745 /nfs/dbraw/zinc/15/07/45/780150745.db2.gz CNDAAAYSYKMUQU-NXEZZACHSA-N 0 3 280.328 -1.952 20 30 CAEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214330267 780151271 /nfs/dbraw/zinc/15/12/71/780151271.db2.gz WFICBPZAQIAXDD-NXEZZACHSA-N 0 3 298.343 -1.180 20 30 CAEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214474019 780153390 /nfs/dbraw/zinc/15/33/90/780153390.db2.gz WZTRYUFUUBYDQI-GMTAPVOTSA-N 0 3 294.355 -1.564 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439122 780156917 /nfs/dbraw/zinc/15/69/17/780156917.db2.gz OCFTWPFYJMRAMH-RKDXNWHRSA-N 0 3 266.301 -2.342 20 30 CAEDHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NCC#N ZINC001215438694 780157123 /nfs/dbraw/zinc/15/71/23/780157123.db2.gz DFUXWLXCDJRDAI-HTQZYQBOSA-N 0 3 267.289 -2.452 20 30 CAEDHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NCC(=O)NCC#N ZINC001216012124 780157779 /nfs/dbraw/zinc/15/77/79/780157779.db2.gz HXCPCJWLOOQKKW-PSASIEDQSA-N 0 3 292.299 -1.241 20 30 CAEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001276747228 780159708 /nfs/dbraw/zinc/15/97/08/780159708.db2.gz DQOGWPIANWCOHO-KKOKHZNYSA-N 0 3 289.335 -1.034 20 30 CAEDHN N=C(c1nonc1N)N([O-])C(=O)[C@@H](N)CSCC[NH3+] ZINC001218518729 780168321 /nfs/dbraw/zinc/16/83/21/780168321.db2.gz TWWDUUBHAKFUMX-BYPYZUCNSA-N 0 3 289.321 -1.786 20 30 CAEDHN C#Cc1cc(NC(=O)[C@H]2COC3(CNC3)CN2)ccn1 ZINC001218519754 780168518 /nfs/dbraw/zinc/16/85/18/780168518.db2.gz DMYYNOORDOSCCF-GFCCVEGCSA-N 0 3 272.308 -1.246 20 30 CAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c[nH]nc1C#N ZINC001218656242 780179608 /nfs/dbraw/zinc/17/96/08/780179608.db2.gz RDTBGOJOFXZMPE-WDSKDSINSA-N 0 3 293.287 -2.073 20 30 CAEDHN N#Cc1ccnnc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218702241 780181798 /nfs/dbraw/zinc/18/17/98/780181798.db2.gz QAZJPWBUDQUEFT-VIFPVBQESA-N 0 3 274.284 -1.383 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163179 780196357 /nfs/dbraw/zinc/19/63/57/780196357.db2.gz JAEKVEWYEVGBJY-BDAKNGLRSA-N 0 3 256.306 -1.608 20 30 CAEDHN C=CCCCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163262 780198786 /nfs/dbraw/zinc/19/87/86/780198786.db2.gz MCMGGBCXSQPKGZ-ZJUUUORDSA-N 0 3 270.333 -1.218 20 30 CAEDHN C=CCCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412760 780218036 /nfs/dbraw/zinc/21/80/36/780218036.db2.gz FAIXAEZOEFTFJR-ZJUUUORDSA-N 0 3 255.318 -1.011 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219487507 780222863 /nfs/dbraw/zinc/22/28/63/780222863.db2.gz UTJCPWBZMVWJIP-NEPJUHHUSA-N 0 3 279.340 -1.303 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505857 780225212 /nfs/dbraw/zinc/22/52/12/780225212.db2.gz OWSVSDSDDAZQPA-ZJUUUORDSA-N 0 3 255.318 -1.140 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219744831 780256902 /nfs/dbraw/zinc/25/69/02/780256902.db2.gz TYGDQWIXKYWGOR-NEPJUHHUSA-N 0 3 299.371 -1.124 20 30 CAEDHN CC(=O)/C=C(/C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219910028 780277196 /nfs/dbraw/zinc/27/71/96/780277196.db2.gz LHFVRSMOLRBVQI-GJQXAKHRSA-N 0 3 253.302 -1.074 20 30 CAEDHN N#CN=C(NC([O-])=C1C[NH2+]C[C@@H]1N)c1ccncc1 ZINC001219972194 780286707 /nfs/dbraw/zinc/28/67/07/780286707.db2.gz LZZOEQLKPRZTMC-UWVGGRQHSA-N 0 3 258.285 -1.028 20 30 CAEDHN COC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cncn1C ZINC001220036338 780295802 /nfs/dbraw/zinc/29/58/02/780295802.db2.gz MSAZZKPLWUUBIA-IUCAKERBSA-N 0 3 286.357 -1.123 20 30 CAEDHN C=C(C)C(=O)OCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220124607 780308150 /nfs/dbraw/zinc/30/81/50/780308150.db2.gz DSGDADVMDBTUTF-JTQLQIEISA-N 0 3 283.328 -1.448 20 30 CAEDHN C=C(C)C(=O)OCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220124530 780308391 /nfs/dbraw/zinc/30/83/91/780308391.db2.gz BIAPZUXQKWYTFR-SECBINFHSA-N 0 3 286.332 -1.002 20 30 CAEDHN COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1CNCCN1 ZINC001220415393 780346739 /nfs/dbraw/zinc/34/67/39/780346739.db2.gz JERZGJZZFYEUMT-QMMMGPOBSA-N 0 3 278.272 -1.131 20 30 CAEDHN C#C[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220460144 780349356 /nfs/dbraw/zinc/34/93/56/780349356.db2.gz BBAXSBLHSRUYFK-FXQIFTODSA-N 0 3 254.290 -2.168 20 30 CAEDHN C#C[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220460143 780350204 /nfs/dbraw/zinc/35/02/04/780350204.db2.gz BBAXSBLHSRUYFK-CSMHCCOUSA-N 0 3 254.290 -2.168 20 30 CAEDHN CCOC(=O)[C@@H](C#N)NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220498880 780354903 /nfs/dbraw/zinc/35/49/03/780354903.db2.gz MWBOUWWSPMKXCT-RKDXNWHRSA-N 0 3 265.273 -1.149 20 30 CAEDHN CCOC(=O)[C@H](C#N)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220498879 780354692 /nfs/dbraw/zinc/35/46/92/780354692.db2.gz MWBOUWWSPMKXCT-IUCAKERBSA-N 0 3 265.273 -1.149 20 30 CAEDHN CCOC(=O)[C@H](C#N)NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220498877 780354834 /nfs/dbraw/zinc/35/48/34/780354834.db2.gz MWBOUWWSPMKXCT-BDAKNGLRSA-N 0 3 265.273 -1.149 20 30 CAEDHN CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220498878 780355009 /nfs/dbraw/zinc/35/50/09/780355009.db2.gz MWBOUWWSPMKXCT-DTWKUNHWSA-N 0 3 265.273 -1.149 20 30 CAEDHN CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220499170 780355172 /nfs/dbraw/zinc/35/51/72/780355172.db2.gz TXNISKFDJFNQSA-BDAKNGLRSA-N 0 3 282.300 -2.112 20 30 CAEDHN CCOC(=O)[C@H](C#N)NC(=O)[C@@H](N)CC[S@](C)=O ZINC001220499093 780355380 /nfs/dbraw/zinc/35/53/80/780355380.db2.gz RFEORYWPGURIOO-KEJSXXJDSA-N 0 3 275.330 -1.346 20 30 CAEDHN CCOC(=O)[C@H](C#N)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220499058 780355825 /nfs/dbraw/zinc/35/58/25/780355825.db2.gz PPIZYKNSRUSDDF-UWVGGRQHSA-N 0 3 296.327 -1.102 20 30 CAEDHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](C#N)C(N)=O ZINC001220527414 780360312 /nfs/dbraw/zinc/36/03/12/780360312.db2.gz ISWHGNWRRQPMDL-ZKWXMUAHSA-N 0 3 269.305 -2.030 20 30 CAEDHN N#C[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)C(N)=O ZINC001220527771 780360685 /nfs/dbraw/zinc/36/06/85/780360685.db2.gz ONGOSFNSTOSKFG-NKWVEPMBSA-N 0 3 253.262 -3.190 20 30 CAEDHN C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H](C#N)C(N)=O)COC1(C)C ZINC001220528059 780361264 /nfs/dbraw/zinc/36/12/64/780361264.db2.gz XUUIDOCQKIIKQR-FXQIFTODSA-N 0 3 297.315 -2.209 20 30 CAEDHN N#C[C@H](NC(=O)CN1CCCC[C@H](N)C1=O)C(N)=O ZINC001220527742 780361544 /nfs/dbraw/zinc/36/15/44/780361544.db2.gz NPDLCRBAVSNPNL-YUMQZZPRSA-N 0 3 267.289 -2.180 20 30 CAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C#N)C(N)=O ZINC001220528078 780361650 /nfs/dbraw/zinc/36/16/50/780361650.db2.gz YIEGFAZHAPWEBH-ZLUOBGJFSA-N 0 3 284.276 -3.813 20 30 CAEDHN COC(=O)c1ccc(C(=N)NC(=O)[C@@H](N)CN)cc1 ZINC001220579205 780367923 /nfs/dbraw/zinc/36/79/23/780367923.db2.gz ISPWNZXZBKNZNU-VIFPVBQESA-N 0 3 264.285 -1.009 20 30 CAEDHN CC(C)C[C@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220702783 780373963 /nfs/dbraw/zinc/37/39/63/780373963.db2.gz HISHQPKSQRULDS-AEJSXWLSSA-N 0 3 297.359 -1.252 20 30 CAEDHN CC[C@H](CC#N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220898673 780394135 /nfs/dbraw/zinc/39/41/35/780394135.db2.gz RQGQOSMZMGYGBT-YIZRAAEISA-N 0 3 283.332 -1.498 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935353 780396569 /nfs/dbraw/zinc/39/65/69/780396569.db2.gz BBZMMKZHLKAPDU-ZJUUUORDSA-N 0 3 270.333 -1.218 20 30 CAEDHN N#Cc1ccc(CNC(=O)[C@H]2COC3(CNC3)CN2)cn1 ZINC001221089071 780402917 /nfs/dbraw/zinc/40/29/17/780402917.db2.gz 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/nfs/dbraw/zinc/49/08/48/780490848.db2.gz PAMMFRDODVMZKO-BDAKNGLRSA-N 0 3 296.331 -2.256 20 30 CAEDHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NCC#N ZINC001277937817 780490920 /nfs/dbraw/zinc/49/09/20/780490920.db2.gz JAVSIFUTRSLTLF-BBBLOLIVSA-N 0 3 295.343 -1.816 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)CN1CCCC1=O ZINC001278047862 780500201 /nfs/dbraw/zinc/50/02/01/780500201.db2.gz IXKKPOQBRPKZAY-JTQLQIEISA-N 0 3 255.318 -1.139 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001278111587 780506508 /nfs/dbraw/zinc/50/65/08/780506508.db2.gz CDGPEEXWFUTRLH-ZJUUUORDSA-N 0 3 276.358 -1.326 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001278111583 780507040 /nfs/dbraw/zinc/50/70/40/780507040.db2.gz CDGPEEXWFUTRLH-NXEZZACHSA-N 0 3 276.358 -1.326 20 30 CAEDHN C=CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001278131177 780508381 /nfs/dbraw/zinc/50/83/81/780508381.db2.gz ZVIGHWZRZYDVRB-NWDGAFQWSA-N 0 3 298.387 -1.551 20 30 CAEDHN C=CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCN1C 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CC(=O)NCC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@@H]1C ZINC001278333112 780537222 /nfs/dbraw/zinc/53/72/22/780537222.db2.gz CJHWYFHXNAJSQN-GXSJLCMTSA-N 0 3 295.343 -1.659 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001278356009 780537435 /nfs/dbraw/zinc/53/74/35/780537435.db2.gz NXZYLXHEFKFYTL-NXEZZACHSA-N 0 3 280.328 -1.810 20 30 CAEDHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@@H]1C ZINC001278333117 780537600 /nfs/dbraw/zinc/53/76/00/780537600.db2.gz CJHWYFHXNAJSQN-ONGXEEELSA-N 0 3 295.343 -1.659 20 30 CAEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001278370492 780537849 /nfs/dbraw/zinc/53/78/49/780537849.db2.gz IPYUSPVSJJWQCI-RYUDHWBXSA-N 0 3 292.343 -1.098 20 30 CAEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001278396771 780538279 /nfs/dbraw/zinc/53/82/79/780538279.db2.gz CDNJDDMBPKZENI-UWVGGRQHSA-N 0 3 253.302 -1.300 20 30 CAEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001278396772 780538516 /nfs/dbraw/zinc/53/85/16/780538516.db2.gz 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KLSPOLGZZKWPLR-SNVBAGLBSA-N 0 3 255.318 -1.445 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)c1ccc[nH]1 ZINC001278731779 780593354 /nfs/dbraw/zinc/59/33/54/780593354.db2.gz MHFXQQAOPLWFSS-JTQLQIEISA-N 0 3 293.327 -1.323 20 30 CAEDHN C=C[C@H](O)CNCC(=O)NCC(=O)NCC(=O)OCC ZINC001253607695 780593376 /nfs/dbraw/zinc/59/33/76/780593376.db2.gz CWYZJKLEIDYNPP-VIFPVBQESA-N 0 3 287.316 -2.082 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737973 780594217 /nfs/dbraw/zinc/59/42/17/780594217.db2.gz XLQACJLVQIURLK-GHMZBOCLSA-N 0 3 282.344 -1.143 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737878 780594239 /nfs/dbraw/zinc/59/42/39/780594239.db2.gz VWDAYIFDSHGSNR-WDEREUQCSA-N 0 3 280.328 -1.696 20 30 CAEDHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757005 780597187 /nfs/dbraw/zinc/59/71/87/780597187.db2.gz XUMXPZKDYGHKBF-ZYHUDNBSSA-N 0 3 281.356 -1.057 20 30 CAEDHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757002 780597699 /nfs/dbraw/zinc/59/76/99/780597699.db2.gz XUMXPZKDYGHKBF-CMPLNLGQSA-N 0 3 281.356 -1.057 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001278751284 780598056 /nfs/dbraw/zinc/59/80/56/780598056.db2.gz YTWBYCPACSIHQJ-NSHDSACASA-N 0 3 299.371 -1.694 20 30 CAEDHN COC[C@@H](O)CN1CC[C@](O)(CNC(=O)C#CC2CC2)C1 ZINC001278776474 780603641 /nfs/dbraw/zinc/60/36/41/780603641.db2.gz JGMSXDGAIJRGDH-ZFWWWQNUSA-N 0 3 296.367 -1.040 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001278809916 780607636 /nfs/dbraw/zinc/60/76/36/780607636.db2.gz IQVVNPNPEBTJOK-TVQRCGJNSA-N 0 3 296.327 -1.677 20 30 CAEDHN C=CCn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001278811490 780607736 /nfs/dbraw/zinc/60/77/36/780607736.db2.gz VLMRRVDGDZWLCO-CYBMUJFWSA-N 0 3 295.343 -1.377 20 30 CAEDHN C#CCNC(=O)CN[C@H](CNC(=O)COC)C1CC1 ZINC001265342967 780748847 /nfs/dbraw/zinc/74/88/47/780748847.db2.gz CDIFIVXRKHHGJT-LLVKDONJSA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001265417300 780749457 /nfs/dbraw/zinc/74/94/57/780749457.db2.gz MSOFGGQETBJUDB-PWSUYJOCSA-N 0 3 294.355 -1.549 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)COC)C1 ZINC001265417350 780749757 /nfs/dbraw/zinc/74/97/57/780749757.db2.gz OPSIWBLRGPXRFG-JTQLQIEISA-N 0 3 253.302 -1.427 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)COCCOC)C1 ZINC001265422483 780750028 /nfs/dbraw/zinc/75/00/28/780750028.db2.gz OEJRRMYMDUYNHS-LBPRGKRZSA-N 0 3 297.355 -1.411 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001265445136 780750060 /nfs/dbraw/zinc/75/00/60/780750060.db2.gz HASSYTHAAOSJHH-RYUDHWBXSA-N 0 3 297.355 -1.412 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001265427556 780750181 /nfs/dbraw/zinc/75/01/81/780750181.db2.gz NONWULCCWFQLQG-JTQLQIEISA-N 0 3 290.327 -1.631 20 30 CAEDHN COCC#CCN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001265446521 780750389 /nfs/dbraw/zinc/75/03/89/780750389.db2.gz JTPMKGPSQBULNA-TUAOUCFPSA-N 0 3 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C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689953 781788208 /nfs/dbraw/zinc/78/82/08/781788208.db2.gz NLKPJAKXWSLAIU-MXWKQRLJSA-N 0 3 294.355 -1.400 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001185865636 781789611 /nfs/dbraw/zinc/78/96/11/781789611.db2.gz BNWLECVURPTIRE-LLVKDONJSA-N 0 3 288.311 -1.080 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185918128 781791766 /nfs/dbraw/zinc/79/17/66/781791766.db2.gz HVHWTZDDNBFNQB-SNVBAGLBSA-N 0 3 290.327 -1.218 20 30 CAEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119241 781802144 /nfs/dbraw/zinc/80/21/44/781802144.db2.gz OMVLKBGRAGBAOY-MNOVXSKESA-N 0 3 280.328 -1.810 20 30 CAEDHN CN(C)C(=O)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001186163789 781802681 /nfs/dbraw/zinc/80/26/81/781802681.db2.gz DSLOLKVEQCBMQE-SNVBAGLBSA-N 0 3 295.343 -1.705 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164496 781803135 /nfs/dbraw/zinc/80/31/35/781803135.db2.gz 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296.331 -2.256 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001321957231 884530074 /nfs/dbraw/zinc/53/00/74/884530074.db2.gz SXEIDFKSBMZWQV-QWRGUYRKSA-N 0 3 294.355 -1.692 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)c1cccnn1 ZINC001322022330 884534777 /nfs/dbraw/zinc/53/47/77/884534777.db2.gz ABPDTBRCXKYXIW-VIFPVBQESA-N 0 3 276.300 -1.176 20 30 CAEDHN C#CCN1CCC(C(=O)NC[C@@H](O)C(N)=O)CC1 ZINC001322358153 884549108 /nfs/dbraw/zinc/54/91/08/884549108.db2.gz OUTUBBUINIHKAY-SNVBAGLBSA-N 0 3 253.302 -1.706 20 30 CAEDHN CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1cn[n-]n1 ZINC001322590574 884564220 /nfs/dbraw/zinc/56/42/20/884564220.db2.gz FYIIIKDOABASJH-UHFFFAOYSA-N 0 3 279.304 -1.504 20 30 CAEDHN C#CCO[C@H](C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001322999626 884592024 /nfs/dbraw/zinc/59/20/24/884592024.db2.gz JGESLOCNPOSWPI-MWLCHTKSSA-N 0 3 267.329 -1.006 20 30 CAEDHN N#CCNC(=O)CNC1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001323591947 884624796 /nfs/dbraw/zinc/62/47/96/884624796.db2.gz NWFVHYIXMPFWPF-UHFFFAOYSA-N 0 3 291.315 -1.775 20 30 CAEDHN C#CCNC1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001323613393 884628542 /nfs/dbraw/zinc/62/85/42/884628542.db2.gz DZWVRYIUKNDPID-VIFPVBQESA-N 0 3 271.342 -1.450 20 30 CAEDHN N#CCNC(=O)CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001323826759 884636481 /nfs/dbraw/zinc/63/64/81/884636481.db2.gz BOPMXQDQTMLRHK-QWRGUYRKSA-N 0 3 295.343 -1.211 20 30 CAEDHN N#CCNC(=O)CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001323826758 884636715 /nfs/dbraw/zinc/63/67/15/884636715.db2.gz BOPMXQDQTMLRHK-MNOVXSKESA-N 0 3 295.343 -1.211 20 30 CAEDHN N#CCNC(=O)CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001323826760 884636879 /nfs/dbraw/zinc/63/68/79/884636879.db2.gz BOPMXQDQTMLRHK-WDEREUQCSA-N 0 3 295.343 -1.211 20 30 CAEDHN C=CCOCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001324130111 884650102 /nfs/dbraw/zinc/65/01/02/884650102.db2.gz ODCVTAPREAZLOT-JTQLQIEISA-N 0 3 298.343 -1.036 20 30 CAEDHN C#CCNC(=O)CNC[C@H](NC(=O)C(N)=O)C1CCCC1 ZINC001324497347 884674449 /nfs/dbraw/zinc/67/44/49/884674449.db2.gz JMJVWVMYJFTTGJ-NSHDSACASA-N 0 3 294.355 -1.514 20 30 CAEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325086344 884705724 /nfs/dbraw/zinc/70/57/24/884705724.db2.gz OOCAVVCVQZGWCL-GFCCVEGCSA-N 0 3 255.318 -1.009 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)CC ZINC001325957003 884751160 /nfs/dbraw/zinc/75/11/60/884751160.db2.gz WWKHBSUUXKBQCF-UHFFFAOYSA-N 0 3 255.318 -1.444 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@@H]1C ZINC001325971539 884753940 /nfs/dbraw/zinc/75/39/40/884753940.db2.gz KQZUJQQZZILQBN-RYUDHWBXSA-N 0 3 281.356 -1.198 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)Cn1cccn1 ZINC001325981266 884755845 /nfs/dbraw/zinc/75/58/45/884755845.db2.gz YHZPZOZANMGOJJ-UHFFFAOYSA-N 0 3 294.355 -1.057 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1ncn(C)n1 ZINC001326012893 884755975 /nfs/dbraw/zinc/75/59/75/884755975.db2.gz XESKEUYKBQVUDF-UHFFFAOYSA-N 0 3 251.290 -1.528 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@H]1C ZINC001325971536 884757240 /nfs/dbraw/zinc/75/72/40/884757240.db2.gz KQZUJQQZZILQBN-NEPJUHHUSA-N 0 3 281.356 -1.198 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1cnn(CC)n1 ZINC001326020456 884759048 /nfs/dbraw/zinc/75/90/48/884759048.db2.gz BKAXFAPJIHIHAQ-UHFFFAOYSA-N 0 3 265.317 -1.045 20 30 CAEDHN CCNC(=O)CNCCN(CCO)C(=O)C#CC1CC1 ZINC001326022086 884759689 /nfs/dbraw/zinc/75/96/89/884759689.db2.gz OIEMYVSNKITYNG-UHFFFAOYSA-N 0 3 281.356 -1.054 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001326041466 884760111 /nfs/dbraw/zinc/76/01/11/884760111.db2.gz KNHNCZCGFKXUFH-UHFFFAOYSA-N 0 3 278.312 -1.562 20 30 CAEDHN C#CCNCCN(CCO)C(=O)Cn1ncnn1 ZINC001326020721 884760391 /nfs/dbraw/zinc/76/03/91/884760391.db2.gz BOWLVUOHWXOEDW-UHFFFAOYSA-N 0 3 252.278 -2.283 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001326070535 884764554 /nfs/dbraw/zinc/76/45/54/884764554.db2.gz PHIGAXQUYVSHPL-QWRGUYRKSA-N 0 3 267.329 -1.458 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001326160155 884771057 /nfs/dbraw/zinc/77/10/57/884771057.db2.gz SPNXNXJUXWPLSK-LBPRGKRZSA-N 0 3 296.371 -1.037 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CS(=O)(=O)C(C)C ZINC001326149024 884771311 /nfs/dbraw/zinc/77/13/11/884771311.db2.gz SPUDCHQDIGNIAH-UHFFFAOYSA-N 0 3 290.385 -1.147 20 30 CAEDHN C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)N1CCN(C)CC1 ZINC001326306484 884781050 /nfs/dbraw/zinc/78/10/50/884781050.db2.gz PZKFAEMREZLMSK-GRYCIOLGSA-N 0 3 265.361 -1.150 20 30 CAEDHN CN[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)c1cnn(C)c1 ZINC001326288569 884781995 /nfs/dbraw/zinc/78/19/95/884781995.db2.gz MZMSYEJJPHIHDH-LSJOCFKGSA-N 0 3 262.317 -1.092 20 30 CAEDHN C#CCNC(=O)CNC1(CNC(=O)CC(N)=O)CCC1 ZINC001326802669 884834160 /nfs/dbraw/zinc/83/41/60/884834160.db2.gz WYVJULFLUVZNPY-UHFFFAOYSA-N 0 3 280.328 -1.760 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COC)CCO1 ZINC001326938641 884846121 /nfs/dbraw/zinc/84/61/21/884846121.db2.gz ZVUMHHQOJKRSDT-VXGBXAGGSA-N 0 3 297.355 -1.412 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)COC)CCO1 ZINC001326938640 884847198 /nfs/dbraw/zinc/84/71/98/884847198.db2.gz ZVUMHHQOJKRSDT-RYUDHWBXSA-N 0 3 297.355 -1.412 20 30 CAEDHN C=CCOCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001326958934 884849445 /nfs/dbraw/zinc/84/94/45/884849445.db2.gz TVYKLKAVADPIIA-NEPJUHHUSA-N 0 3 297.355 -1.106 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001326972782 884849970 /nfs/dbraw/zinc/84/99/70/884849970.db2.gz ATXPGQOJCHJJBO-JTQLQIEISA-N 0 3 263.301 -1.121 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCO1 ZINC001326991347 884854225 /nfs/dbraw/zinc/85/42/25/884854225.db2.gz QNZVCRPQBSUIII-QWRGUYRKSA-N 0 3 288.369 -1.130 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001327035339 884856180 /nfs/dbraw/zinc/85/61/80/884856180.db2.gz MYGDURKBQNOYQP-BXUZGUMPSA-N 0 3 279.340 -1.037 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001327035341 884856254 /nfs/dbraw/zinc/85/62/54/884856254.db2.gz MYGDURKBQNOYQP-RISCZKNCSA-N 0 3 279.340 -1.037 20 30 CAEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001327036668 884856864 /nfs/dbraw/zinc/85/68/64/884856864.db2.gz VCPKKDBDTTZKJM-TUAOUCFPSA-N 0 3 297.355 -1.120 20 30 CAEDHN C=CCOCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001327523194 884897577 /nfs/dbraw/zinc/89/75/77/884897577.db2.gz FWPGJPAGFSXCRC-JTQLQIEISA-N 0 3 271.317 -1.590 20 30 CAEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)c2nnn(C)n2)C1 ZINC001327581424 884903497 /nfs/dbraw/zinc/90/34/97/884903497.db2.gz PWTMFSKVLAFKEH-ZDUSSCGKSA-N 0 3 292.343 -1.210 20 30 CAEDHN CC#CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327857520 884933689 /nfs/dbraw/zinc/93/36/89/884933689.db2.gz GUPJYRBIXZUHBS-UHFFFAOYSA-N 0 3 291.311 -1.213 20 30 CAEDHN C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001327924090 884940699 /nfs/dbraw/zinc/94/06/99/884940699.db2.gz JPHSFSZEJYVYKC-UWVGGRQHSA-N 0 3 290.327 -1.396 20 30 CAEDHN COCC#CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001328421302 884983192 /nfs/dbraw/zinc/98/31/92/884983192.db2.gz GNTJWFSHRVPDHI-UHFFFAOYSA-N 0 3 267.329 -1.131 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001329033626 885046598 /nfs/dbraw/zinc/04/65/98/885046598.db2.gz IRBWHLJJEANALT-UWVGGRQHSA-N 0 3 293.331 -2.095 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001329033627 885046626 /nfs/dbraw/zinc/04/66/26/885046626.db2.gz IRBWHLJJEANALT-VHSXEESVSA-N 0 3 293.331 -2.095 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329105659 885060785 /nfs/dbraw/zinc/06/07/85/885060785.db2.gz AZMNVUUAXAFGGV-YUMQZZPRSA-N 0 3 256.306 -1.743 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108966 885067177 /nfs/dbraw/zinc/06/71/77/885067177.db2.gz JFJWZPHVTJNDRY-SFYZADRCSA-N 0 3 254.290 -2.296 20 30 CAEDHN CNS(=O)(=O)CCNC[C@H](O)CN(C)CCC#N ZINC001329143060 885069395 /nfs/dbraw/zinc/06/93/95/885069395.db2.gz RRDJTJBQJPQZAM-JTQLQIEISA-N 0 3 278.378 -1.668 20 30 CAEDHN C#CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329823171 885142418 /nfs/dbraw/zinc/14/24/18/885142418.db2.gz UITRKLSOCGSAJO-UHFFFAOYSA-N 0 3 291.311 -1.213 20 30 CAEDHN C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001330380466 885193140 /nfs/dbraw/zinc/19/31/40/885193140.db2.gz FRYFPRHGWQDSAK-MNOVXSKESA-N 0 3 285.344 -1.120 20 30 CAEDHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001331377577 885276466 /nfs/dbraw/zinc/27/64/66/885276466.db2.gz RWJPWSBMKWPFOS-NXEZZACHSA-N 0 3 297.359 -1.413 20 30 CAEDHN C[C@H](CN(C)C(=O)C1=COCCO1)NCC(=O)NCC#N ZINC001331376488 885276698 /nfs/dbraw/zinc/27/66/98/885276698.db2.gz LNWWNPXLKRHVGJ-SNVBAGLBSA-N 0 3 296.327 -1.049 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001331544823 885287434 /nfs/dbraw/zinc/28/74/34/885287434.db2.gz RDPCPBSUPJIOKH-SNVBAGLBSA-N 0 3 294.355 -1.562 20 30 CAEDHN CN1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC#N ZINC001331682368 885308639 /nfs/dbraw/zinc/30/86/39/885308639.db2.gz HMEQPPZKEKIAJD-WDEREUQCSA-N 0 3 297.359 -2.213 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001331694538 885316876 /nfs/dbraw/zinc/31/68/76/885316876.db2.gz CRJCWVDTGVJUHN-LLVKDONJSA-N 0 3 257.334 -1.429 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001331723115 885322767 /nfs/dbraw/zinc/32/27/67/885322767.db2.gz ACHHWZNYJMFVGW-VIFPVBQESA-N 0 3 262.331 -1.716 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)CN1CCOCC1=O ZINC001331724648 885322856 /nfs/dbraw/zinc/32/28/56/885322856.db2.gz HHFIFONLKLIDCD-JTQLQIEISA-N 0 3 271.317 -1.902 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)CCN1C(=O)CCC1=O ZINC001331739994 885330041 /nfs/dbraw/zinc/33/00/41/885330041.db2.gz NFRYTWWQEOZJIW-SNVBAGLBSA-N 0 3 283.328 -1.222 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001331769535 885340889 /nfs/dbraw/zinc/34/08/89/885340889.db2.gz BSDGCKDVGWIDTK-DTWKUNHWSA-N 0 3 256.306 -1.737 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331791981 885349226 /nfs/dbraw/zinc/34/92/26/885349226.db2.gz YEBLRULAMIUMFG-SFYZADRCSA-N 0 3 270.289 -2.163 20 30 CAEDHN CC#CCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001332446174 885410400 /nfs/dbraw/zinc/41/04/00/885410400.db2.gz HHFGFFZYZLMDPI-UHFFFAOYSA-N 0 3 266.345 -1.511 20 30 CAEDHN C[C@H](NC[C@@H](O)CN(C)C(=O)CSCC#N)C(N)=O ZINC001332474105 885413139 /nfs/dbraw/zinc/41/31/39/885413139.db2.gz AZPLYJTYLGZMMC-DTWKUNHWSA-N 0 3 288.373 -1.474 20 30 CAEDHN CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)C1CC1 ZINC001332472947 885413228 /nfs/dbraw/zinc/41/32/28/885413228.db2.gz ZLVLIJSBCLTRCE-SNVBAGLBSA-N 0 3 268.317 -1.555 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)C1CC1 ZINC001332472945 885413675 /nfs/dbraw/zinc/41/36/75/885413675.db2.gz ZLVLIJSBCLTRCE-JTQLQIEISA-N 0 3 268.317 -1.555 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001332488317 885413951 /nfs/dbraw/zinc/41/39/51/885413951.db2.gz DHIOVGFXVZYDFO-NEPJUHHUSA-N 0 3 299.371 -1.266 20 30 CAEDHN CCC(=O)N(C)C[C@H](O)CNCC(=O)NCC#N ZINC001332472965 885414090 /nfs/dbraw/zinc/41/40/90/885414090.db2.gz ZOKDLXZKMXURLU-SECBINFHSA-N 0 3 256.306 -1.555 20 30 CAEDHN CC#CCNC[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001332517978 885416385 /nfs/dbraw/zinc/41/63/85/885416385.db2.gz NVGTYTNAQBSFQH-NSHDSACASA-N 0 3 288.369 -1.537 20 30 CAEDHN C#CCNC[C@@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001332530221 885418519 /nfs/dbraw/zinc/41/85/19/885418519.db2.gz SJSQTFJGIQTEMU-VHSXEESVSA-N 0 3 276.358 -1.538 20 30 CAEDHN COCC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001332562141 885421452 /nfs/dbraw/zinc/42/14/52/885421452.db2.gz STOGOSMKEYWHSN-WDEREUQCSA-N 0 3 298.343 -2.274 20 30 CAEDHN C=CCN1CC[C@H](NC[C@@H](O)CN(C)C(=O)C(N)=O)C1=O ZINC001332560870 885421615 /nfs/dbraw/zinc/42/16/15/885421615.db2.gz LWPYLTGMCUXZHO-ZJUUUORDSA-N 0 3 298.343 -2.333 20 30 CAEDHN C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001332616947 885425993 /nfs/dbraw/zinc/42/59/93/885425993.db2.gz AZWCIQFHVDBPIM-QWHCGFSZSA-N 0 3 283.372 -1.299 20 30 CAEDHN C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001332616948 885427688 /nfs/dbraw/zinc/42/76/88/885427688.db2.gz AZWCIQFHVDBPIM-STQMWFEESA-N 0 3 283.372 -1.299 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CCOC3(CNC3)C2)n1 ZINC001333753581 885502209 /nfs/dbraw/zinc/50/22/09/885502209.db2.gz IJFNMFJESBDELA-UHFFFAOYSA-N 0 3 262.273 -1.649 20 30 CAEDHN CN(CCO)CCN(C)C(=O)Cn1cnc(C#N)n1 ZINC001334246218 885531232 /nfs/dbraw/zinc/53/12/32/885531232.db2.gz JQSOMSMAWQOUCP-UHFFFAOYSA-N 0 3 266.305 -1.468 20 30 CAEDHN N#CC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001335264315 885604314 /nfs/dbraw/zinc/60/43/14/885604314.db2.gz TYEMFLOUXIFMNW-UHFFFAOYSA-N 0 3 293.371 -1.230 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)C1(O)CCOCC1 ZINC001338482789 885746276 /nfs/dbraw/zinc/74/62/76/885746276.db2.gz LOZSXLKJYRVFJA-JTQLQIEISA-N 0 3 258.318 -1.219 20 30 CAEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cnnn1C ZINC001343949595 885929784 /nfs/dbraw/zinc/92/97/84/885929784.db2.gz GRAICEVLQXNQJH-UHFFFAOYSA-N 0 3 278.316 -1.175 20 30 CAEDHN C#CCN1CCC(C(=O)NC[C@@H](O)C(=O)NC)CC1 ZINC001344042087 885932529 /nfs/dbraw/zinc/93/25/29/885932529.db2.gz BIHGZRNSOCJDGM-LLVKDONJSA-N 0 3 267.329 -1.445 20 30 CAEDHN Cn1c(=O)ccn(CC(=O)C(C#N)C(=O)NC2CC2)c1=O ZINC001347062814 886022927 /nfs/dbraw/zinc/02/29/27/886022927.db2.gz DEPVUJVEYNNKLE-SECBINFHSA-N 0 3 290.279 -1.466 20 30 CAEDHN C=C(CO)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001348715420 886100101 /nfs/dbraw/zinc/10/01/01/886100101.db2.gz WHOYQGHUGYRZHI-LBPRGKRZSA-N 0 3 299.371 -1.170 20 30 CAEDHN C#CCN(C(=O)C(=O)N(C)CCO)C1CCN(C)CC1 ZINC001353088745 886258227 /nfs/dbraw/zinc/25/82/27/886258227.db2.gz YPDPDLAKTFAGTE-UHFFFAOYSA-N 0 3 281.356 -1.007 20 30 CAEDHN C=C(C)COCCNC(=O)C(=O)N1CCNCCNCC1 ZINC001353134172 886264054 /nfs/dbraw/zinc/26/40/54/886264054.db2.gz IWTDZJNILJKUMR-UHFFFAOYSA-N 0 3 298.387 -1.283 20 30 CAEDHN N#C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001356460625 886367785 /nfs/dbraw/zinc/36/77/85/886367785.db2.gz COPKLLHIODHYGS-MNOVXSKESA-N 0 3 280.328 -1.147 20 30 CAEDHN N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001356460626 886368325 /nfs/dbraw/zinc/36/83/25/886368325.db2.gz COPKLLHIODHYGS-QWRGUYRKSA-N 0 3 280.328 -1.147 20 30 CAEDHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001369451831 887568161 /nfs/dbraw/zinc/56/81/61/887568161.db2.gz QSNNSWWHQQLZQW-NXEZZACHSA-N 0 3 270.333 -1.309 20 30 CAEDHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374597191 887808278 /nfs/dbraw/zinc/80/82/78/887808278.db2.gz WWUDJHDHFSFXQS-SNVBAGLBSA-N 0 3 279.300 -1.687 20 30 CAEDHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379173984 888099273 /nfs/dbraw/zinc/09/92/73/888099273.db2.gz ATNWRCYMRFXSAD-SNVBAGLBSA-N 0 3 293.327 -1.345 20 30 CAEDHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001379760986 888170802 /nfs/dbraw/zinc/17/08/02/888170802.db2.gz JBYKKWBHEZJFIQ-JTQLQIEISA-N 0 3 293.327 -1.345 20 30 CAEDHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc(C#N)c[nH]1 ZINC001379763593 888173563 /nfs/dbraw/zinc/17/35/63/888173563.db2.gz KWADBSYFRYPWFN-VIFPVBQESA-N 0 3 279.300 -1.606 20 30 CAEDHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771306 888174263 /nfs/dbraw/zinc/17/42/63/888174263.db2.gz QYXLQUNNJAVCLP-PSASIEDQSA-N 0 3 293.327 -1.217 20 30 CAEDHN C[C@H](C#N)C(=O)NCC1(N[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001380071046 888191659 /nfs/dbraw/zinc/19/16/59/888191659.db2.gz ZIIGWMINZFLDIK-SFYZADRCSA-N 0 3 281.316 -1.032 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001389559469 888554604 /nfs/dbraw/zinc/55/46/04/888554604.db2.gz JZUNCJNSKTYTLR-APPZFPTMSA-N 0 3 281.316 -1.175 20 30 CAEDHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001392363471 888684696 /nfs/dbraw/zinc/68/46/96/888684696.db2.gz COJSXOWJJPEDHE-SNVBAGLBSA-N 0 3 293.327 -1.297 20 30 CAEDHN C[C@H](C#N)C(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001392766197 888735327 /nfs/dbraw/zinc/73/53/27/888735327.db2.gz IMMYFNIGUAOYBU-VXNVDRBHSA-N 0 3 281.316 -1.175 20 30 CAEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001392766187 888735993 /nfs/dbraw/zinc/73/59/93/888735993.db2.gz IMMYFNIGUAOYBU-CBAPKCEASA-N 0 3 281.316 -1.175 20 30 CAEDHN CNC(=O)CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001393762370 888802500 /nfs/dbraw/zinc/80/25/00/888802500.db2.gz DLYMPIKGSNVZHL-SNVBAGLBSA-N 0 3 282.344 -1.165 20 30 CAEDHN CNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001394732801 888887638 /nfs/dbraw/zinc/88/76/38/888887638.db2.gz SNMAIEKMKSXDMZ-IUCAKERBSA-N 0 3 299.331 -1.989 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001401490057 889138951 /nfs/dbraw/zinc/13/89/51/889138951.db2.gz GPEIMWBJBASTCW-MNOVXSKESA-N 0 3 298.343 -1.928 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001401490061 889139514 /nfs/dbraw/zinc/13/95/14/889139514.db2.gz GPEIMWBJBASTCW-QWRGUYRKSA-N 0 3 298.343 -1.928 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001402268747 889212882 /nfs/dbraw/zinc/21/28/82/889212882.db2.gz TUMULLBWJHGNIU-YPMHNXCESA-N 0 3 292.343 -1.009 20 30 CAEDHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001402527324 889247482 /nfs/dbraw/zinc/24/74/82/889247482.db2.gz ABPFTODIWABVQO-NXEZZACHSA-N 0 3 270.333 -1.309 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC1CC1 ZINC001406197915 889482614 /nfs/dbraw/zinc/48/26/14/889482614.db2.gz AMGDSFUKGYJLIH-KOLCDFICSA-N 0 3 282.344 -1.261 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCC1CC1 ZINC001406197889 889483057 /nfs/dbraw/zinc/48/30/57/889483057.db2.gz AMGDSFUKGYJLIH-GXSJLCMTSA-N 0 3 282.344 -1.261 20 30 CAEDHN N#Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c[nH]1 ZINC001406206564 889484918 /nfs/dbraw/zinc/48/49/18/889484918.db2.gz GKOVHFSWCTUQRF-MNOVXSKESA-N 0 3 291.311 -1.545 20 30 CAEDHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001406208306 889485773 /nfs/dbraw/zinc/48/57/73/889485773.db2.gz IFAQDOSZWRTHHK-VHSXEESVSA-N 0 3 270.333 -1.263 20 30 CAEDHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001406211763 889486171 /nfs/dbraw/zinc/48/61/71/889486171.db2.gz KRRUQILSUOTZGM-KWQFWETISA-N 0 3 293.327 -1.299 20 30 CAEDHN C[C@@H](NCCN(CCO)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001407705981 889587942 /nfs/dbraw/zinc/58/79/42/889587942.db2.gz ZNKCPGDKGFXGEZ-SECBINFHSA-N 0 3 293.327 -1.216 20 30 CAEDHN C[C@H](NCCN(CCO)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001407705985 889588612 /nfs/dbraw/zinc/58/86/12/889588612.db2.gz ZNKCPGDKGFXGEZ-VIFPVBQESA-N 0 3 293.327 -1.216 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n1 ZINC001412933473 889913696 /nfs/dbraw/zinc/91/36/96/889913696.db2.gz VEJYWRSCRPAKMJ-WDEREUQCSA-N 0 3 290.327 -1.183 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001413679340 890005305 /nfs/dbraw/zinc/00/53/05/890005305.db2.gz AGBUPTOPAIAKKS-SECBINFHSA-N 0 3 276.300 -1.261 20 30 CAEDHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420100825 890383387 /nfs/dbraw/zinc/38/33/87/890383387.db2.gz HQKHATFOLNOLFS-SECBINFHSA-N 0 3 279.300 -1.687 20 30 CAEDHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420112465 890391206 /nfs/dbraw/zinc/39/12/06/890391206.db2.gz PCMALCWUMYADFC-SCZZXKLOSA-N 0 3 293.327 -1.299 20 30 CAEDHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117195 890396247 /nfs/dbraw/zinc/39/62/47/890396247.db2.gz SPBZMPHTKSABRP-WCBMZHEXSA-N 0 3 293.327 -1.299 20 30 CAEDHN N#Cc1ccc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)[nH]1 ZINC001421798209 890536692 /nfs/dbraw/zinc/53/66/92/890536692.db2.gz ZHSHEBJIXLMIOS-SNVBAGLBSA-N 0 3 291.311 -1.198 20 30 CAEDHN N#Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001422288377 890568902 /nfs/dbraw/zinc/56/89/02/890568902.db2.gz POISDQMANFHZGH-VHSXEESVSA-N 0 3 291.311 -1.545 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@H](CO)NCCN1CCCC1=O ZINC001423187331 890636017 /nfs/dbraw/zinc/63/60/17/890636017.db2.gz DGZDYVZKMWYVIB-WDEREUQCSA-N 0 3 282.344 -1.165 20 30 CAEDHN C[C@H](C#N)C(=O)N(CCO)CCN[C@@H]1CCN(C)C1=O ZINC001424066753 890719833 /nfs/dbraw/zinc/71/98/33/890719833.db2.gz KJFQQPCZBXGIRF-GHMZBOCLSA-N 0 3 282.344 -1.213 20 30 CAEDHN C[C@H](C#N)C(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001424066755 890719996 /nfs/dbraw/zinc/71/99/96/890719996.db2.gz KJFQQPCZBXGIRF-MNOVXSKESA-N 0 3 282.344 -1.213 20 30 CAEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001425983980 890842039 /nfs/dbraw/zinc/84/20/39/890842039.db2.gz ROLVNTGDYBZXNS-GHMZBOCLSA-N 0 3 282.344 -1.213 20 30 CAEDHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001438987145 891256278 /nfs/dbraw/zinc/25/62/78/891256278.db2.gz WYTYVOVECAJNMP-NSHDSACASA-N 0 3 293.327 -1.345 20 30 CAEDHN CCN(CCC#N)C(=O)CNC[C@H](O)CNC(C)=O ZINC001445119091 891597718 /nfs/dbraw/zinc/59/77/18/891597718.db2.gz SFKAEIBCRHIVIH-NSHDSACASA-N 0 3 270.333 -1.165 20 30 CAEDHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001445150741 891605814 /nfs/dbraw/zinc/60/58/14/891605814.db2.gz HTIODMYWQCWGAG-SNVBAGLBSA-N 0 3 293.327 -1.297 20 30 CAEDHN N#Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c[nH]1 ZINC001447282780 891720124 /nfs/dbraw/zinc/72/01/24/891720124.db2.gz LPZMWAJMQCGFDG-LLVKDONJSA-N 0 3 291.311 -1.198 20 30 CAEDHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001449101760 891825774 /nfs/dbraw/zinc/82/57/74/891825774.db2.gz MAXZIXJNRJYHKK-WCBMZHEXSA-N 0 3 293.327 -1.217 20 30 CAEDHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NCC#N ZINC001479770756 892481809 /nfs/dbraw/zinc/48/18/09/892481809.db2.gz RBAJPCBGNAFVTH-NXEZZACHSA-N 0 3 297.315 -1.271 20 30 CAEDHN C#CCN(C)CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001479816216 892486655 /nfs/dbraw/zinc/48/66/55/892486655.db2.gz RKFYNVCMKVMLHP-UHFFFAOYSA-N 0 3 278.316 -1.552 20 30 CAEDHN N#CCNC(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480044066 892497742 /nfs/dbraw/zinc/49/77/42/892497742.db2.gz NSFYBDPLDDTJTL-QMMMGPOBSA-N 0 3 267.289 -2.404 20 30 CAEDHN N#CCNC(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480044063 892498850 /nfs/dbraw/zinc/49/88/50/892498850.db2.gz NSFYBDPLDDTJTL-MRVPVSSYSA-N 0 3 267.289 -2.404 20 30 CAEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001480118025 892500188 /nfs/dbraw/zinc/50/01/88/892500188.db2.gz UBLYLXGCCYLEEN-RYUDHWBXSA-N 0 3 294.355 -1.420 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001480434495 892514584 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ZINC001482790079 892705494 /nfs/dbraw/zinc/70/54/94/892705494.db2.gz UVEZWAGKZCGBTD-QWRGUYRKSA-N 0 3 283.328 -2.019 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001482791287 892706674 /nfs/dbraw/zinc/70/66/74/892706674.db2.gz RQLNCXGNIWLONE-SNVBAGLBSA-N 0 3 293.327 -2.150 20 30 CAEDHN C#CCNC[C@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001482797262 892708452 /nfs/dbraw/zinc/70/84/52/892708452.db2.gz MTYIORNECNWJNF-VHSXEESVSA-N 0 3 274.342 -1.737 20 30 CAEDHN C#CCO[C@H](C)C(=O)N(CC)CCNCC(=O)NC(N)=O ZINC001482924077 892714058 /nfs/dbraw/zinc/71/40/58/892714058.db2.gz KTCOQQHSEQVBKY-SNVBAGLBSA-N 0 3 298.343 -1.342 20 30 CAEDHN C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1nnc[n-]1 ZINC001482892027 892714852 /nfs/dbraw/zinc/71/48/52/892714852.db2.gz OBZZGYWCZOMYDU-SECBINFHSA-N 0 3 293.331 -1.529 20 30 CAEDHN C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001482889185 892715107 /nfs/dbraw/zinc/71/51/07/892715107.db2.gz DKFDTUJYHIIZOM-JTQLQIEISA-N 0 3 292.343 -1.419 20 30 CAEDHN C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001482889189 892715651 /nfs/dbraw/zinc/71/56/51/892715651.db2.gz DKFDTUJYHIIZOM-SNVBAGLBSA-N 0 3 292.343 -1.419 20 30 CAEDHN COCC#CCNC/C=C\CNC(=O)Cn1cnnn1 ZINC001482982971 892717780 /nfs/dbraw/zinc/71/77/80/892717780.db2.gz TZLPZINJAFHEMX-IHWYPQMZSA-N 0 3 278.316 -1.415 20 30 CAEDHN C#CCNCCN(CC)C(=O)CN1C(=O)CN(C)C1=O ZINC001482966359 892717825 /nfs/dbraw/zinc/71/78/25/892717825.db2.gz JWDOAHKFMWTXLK-UHFFFAOYSA-N 0 3 280.328 -1.048 20 30 CAEDHN CC#CCNCCN(CC)C(=O)CNS(=O)(=O)NC ZINC001482942586 892718293 /nfs/dbraw/zinc/71/82/93/892718293.db2.gz ZKAUDBHLCPAYRZ-UHFFFAOYSA-N 0 3 290.389 -1.498 20 30 CAEDHN C#CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCNC1=O ZINC001482944237 892718706 /nfs/dbraw/zinc/71/87/06/892718706.db2.gz YOGWCRKNSYVVNO-NSHDSACASA-N 0 3 294.355 -1.690 20 30 CAEDHN C#CCNC/C=C/CNC(=O)CN1CCCS1(=O)=O ZINC001483015356 892721071 /nfs/dbraw/zinc/72/10/71/892721071.db2.gz JEQZZXAGHRZDDJ-ONEGZZNKSA-N 0 3 285.369 -1.083 20 30 CAEDHN C#CCNC/C=C\CNC(=O)CN(C)C(=O)COC ZINC001483015732 892721103 /nfs/dbraw/zinc/72/11/03/892721103.db2.gz NPIGKCGECFQRNI-WAYWQWQTSA-N 0 3 267.329 -1.014 20 30 CAEDHN C#CCNC/C=C\CNC(=O)CN1CCOCC1=O ZINC001483020287 892721458 /nfs/dbraw/zinc/72/14/58/892721458.db2.gz ZAQUMTIVICGVPF-ARJAWSKDSA-N 0 3 265.313 -1.260 20 30 CAEDHN C#CCNC/C=C\CNC(=O)CN1CCCS1(=O)=O ZINC001483015355 892723044 /nfs/dbraw/zinc/72/30/44/892723044.db2.gz JEQZZXAGHRZDDJ-ARJAWSKDSA-N 0 3 285.369 -1.083 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001483118554 892733380 /nfs/dbraw/zinc/73/33/80/892733380.db2.gz XWIPVPSZOIFCAA-NEPJUHHUSA-N 0 3 298.387 -1.287 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483159946 892737140 /nfs/dbraw/zinc/73/71/40/892737140.db2.gz MAHPZRRMBWIPRP-MRVPVSSYSA-N 0 3 281.320 -1.780 20 30 CAEDHN C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001483182653 892739559 /nfs/dbraw/zinc/73/95/59/892739559.db2.gz HOVQWSLIXYRRNY-SECBINFHSA-N 0 3 278.316 -1.809 20 30 CAEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001483226799 892742204 /nfs/dbraw/zinc/74/22/04/892742204.db2.gz JMDBSTNRMWJMKQ-DTWKUNHWSA-N 0 3 284.316 -1.686 20 30 CAEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NCC#N ZINC001483226694 892742245 /nfs/dbraw/zinc/74/22/45/892742245.db2.gz FPNYVCDRBDDHTM-WDEREUQCSA-N 0 3 280.328 -1.241 20 30 CAEDHN C[C@H](C#N)C(=O)N[C@@H](C)CNCC(=O)NCC#N ZINC001483215399 892742457 /nfs/dbraw/zinc/74/24/57/892742457.db2.gz OVXPMDQHCWSZDS-BDAKNGLRSA-N 0 3 251.290 -1.120 20 30 CAEDHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CNCC(=O)NCC#N ZINC001483224450 892743579 /nfs/dbraw/zinc/74/35/79/892743579.db2.gz MLDHYQSQWFXKMM-GXSJLCMTSA-N 0 3 270.333 -1.263 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)c1cn(C)nn1 ZINC001483225662 892743683 /nfs/dbraw/zinc/74/36/83/892743683.db2.gz OKKHFKNWSOJZGA-VIFPVBQESA-N 0 3 280.332 -1.175 20 30 CAEDHN COC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NCC#N ZINC001483212023 892743878 /nfs/dbraw/zinc/74/38/78/892743878.db2.gz ZIBMQRJHKVNWIU-QMMMGPOBSA-N 0 3 285.304 -1.924 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC(N)=O ZINC001483215573 892744946 /nfs/dbraw/zinc/74/49/46/892744946.db2.gz NWMXYJCGJHUDGR-IUCAKERBSA-N 0 3 270.333 -1.353 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)CC(N)=O ZINC001483215691 892745500 /nfs/dbraw/zinc/74/55/00/892745500.db2.gz QFXIFLYEEZSBLG-QMMMGPOBSA-N 0 3 254.290 -2.295 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483262391 892751086 /nfs/dbraw/zinc/75/10/86/892751086.db2.gz NBJQZCFSDSNVQC-VIFPVBQESA-N 0 3 282.344 -1.352 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)NC(C)=O ZINC001483274599 892751603 /nfs/dbraw/zinc/75/16/03/892751603.db2.gz HIIXVUHPCOWWFA-JTQLQIEISA-N 0 3 296.371 -1.255 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@@]1(C)CCNC1=O ZINC001483265174 892752195 /nfs/dbraw/zinc/75/21/95/892752195.db2.gz PNIFTAFOXOKUOB-ZANVPECISA-N 0 3 295.343 -1.753 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001483265441 892753074 /nfs/dbraw/zinc/75/30/74/892753074.db2.gz WJIQDKXSQVGDHS-HZMBPMFUSA-N 0 3 296.371 -1.091 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001483265442 892753116 /nfs/dbraw/zinc/75/31/16/892753116.db2.gz WJIQDKXSQVGDHS-IINYFYTJSA-N 0 3 296.371 -1.091 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](NC(=O)CNC(C)=O)C1CC1 ZINC001483540166 892766622 /nfs/dbraw/zinc/76/66/22/892766622.db2.gz KYLYHLNRLVSZJS-GFCCVEGCSA-N 0 3 294.355 -1.644 20 30 CAEDHN C#CCNC(=O)CNC[C@H](NC(=O)COC)C1CC1 ZINC001483535413 892767529 /nfs/dbraw/zinc/76/75/29/892767529.db2.gz HCQADAKBZWQKSC-NSHDSACASA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCNC(=O)CNC[C@H](NC(=O)CNC(C)=O)C1CC1 ZINC001483540167 892767762 /nfs/dbraw/zinc/76/77/62/892767762.db2.gz KYLYHLNRLVSZJS-LBPRGKRZSA-N 0 3 294.355 -1.644 20 30 CAEDHN C#CCNC1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001483738023 892785225 /nfs/dbraw/zinc/78/52/25/892785225.db2.gz KDJBAOCTGVUALW-UHFFFAOYSA-N 0 3 290.323 -1.581 20 30 CAEDHN COCC#CCNC1(CNC(=O)CC(N)=O)CC1 ZINC001483722036 892785330 /nfs/dbraw/zinc/78/53/30/892785330.db2.gz CAJUIYNABNFODN-UHFFFAOYSA-N 0 3 253.302 -1.250 20 30 CAEDHN C#CCNC(=O)CN1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001483890953 892795402 /nfs/dbraw/zinc/79/54/02/892795402.db2.gz NTHJQLFNIBZGFQ-UHFFFAOYSA-N 0 3 292.383 -1.026 20 30 CAEDHN C=CCN1CC[C@](O)(CNC(=O)CCNC(=O)COC)C1 ZINC001484220757 892812463 /nfs/dbraw/zinc/81/24/63/892812463.db2.gz ASVDWSARKRBSHB-AWEZNQCLSA-N 0 3 299.371 -1.122 20 30 CAEDHN C=CCN1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484233514 892824213 /nfs/dbraw/zinc/82/42/13/892824213.db2.gz FZLSIYUVPREWLA-LBPRGKRZSA-N 0 3 267.329 -1.009 20 30 CAEDHN C#CCN1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001484238225 892826355 /nfs/dbraw/zinc/82/63/55/892826355.db2.gz SAZMBBFVLDVYPE-CYBMUJFWSA-N 0 3 277.328 -1.077 20 30 CAEDHN C#CCN1CC[C@@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001484238225 892826374 /nfs/dbraw/zinc/82/63/74/892826374.db2.gz SAZMBBFVLDVYPE-CYBMUJFWSA-N 0 3 277.328 -1.077 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@@H](C)NC(C)=O ZINC001484476367 892863800 /nfs/dbraw/zinc/86/38/00/892863800.db2.gz FQZJVQXIWYOSBR-SNVBAGLBSA-N 0 3 255.318 -1.445 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)C(F)F ZINC001484473766 892864222 /nfs/dbraw/zinc/86/42/22/892864222.db2.gz HYMCRIVYJJKBQH-VIFPVBQESA-N 0 3 291.298 -1.200 20 30 CAEDHN N#Cc1cccc(CNCCN(CCO)C(=O)C(N)=O)c1 ZINC001484492293 892866233 /nfs/dbraw/zinc/86/62/33/892866233.db2.gz IIFYOOGRVWSDCB-UHFFFAOYSA-N 0 3 290.323 -1.046 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)c1cnnn1C ZINC001484481725 892866319 /nfs/dbraw/zinc/86/63/19/892866319.db2.gz WSKQDSAUKWKZRP-UHFFFAOYSA-N 0 3 265.317 -1.138 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CCS(C)(=O)=O ZINC001484486828 892866980 /nfs/dbraw/zinc/86/69/80/892866980.db2.gz BEKXYVKIMUZJNC-UHFFFAOYSA-N 0 3 276.358 -1.535 20 30 CAEDHN C[C@@H](NCCN(CCO)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001484480743 892867441 /nfs/dbraw/zinc/86/74/41/892867441.db2.gz QSLDSBFCGBZZMT-SECBINFHSA-N 0 3 293.327 -1.216 20 30 CAEDHN CC(C)C#CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001484481489 892867842 /nfs/dbraw/zinc/86/78/42/892867842.db2.gz QRLUWBDGMFTEME-LLVKDONJSA-N 0 3 269.345 -1.070 20 30 CAEDHN C#CCNCCN(CCO)C(=O)C[C@H]1CCC(=O)NC1 ZINC001484485187 892868209 /nfs/dbraw/zinc/86/82/09/892868209.db2.gz ZXYHCBQQIGWYNB-GFCCVEGCSA-N 0 3 281.356 -1.054 20 30 CAEDHN CC(C)C#CC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001484481100 892868273 /nfs/dbraw/zinc/86/82/73/892868273.db2.gz DBMGOSKHDZLGMU-LBPRGKRZSA-N 0 3 281.356 -1.055 20 30 CAEDHN N#CCNC(=O)CNCCN(CCO)C(=O)c1cnco1 ZINC001484489967 892869265 /nfs/dbraw/zinc/86/92/65/892869265.db2.gz KHIPVQXAEPRIHD-UHFFFAOYSA-N 0 3 295.299 -1.662 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001484493986 892872060 /nfs/dbraw/zinc/87/20/60/892872060.db2.gz ZYHDBSJXUIPFFK-UHFFFAOYSA-N 0 3 278.312 -1.183 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001484493000 892873074 /nfs/dbraw/zinc/87/30/74/892873074.db2.gz AQOJAIVAPKHDJQ-CQSZACIVSA-N 0 3 281.356 -1.054 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001484492999 892873236 /nfs/dbraw/zinc/87/32/36/892873236.db2.gz AQOJAIVAPKHDJQ-AWEZNQCLSA-N 0 3 281.356 -1.054 20 30 CAEDHN C#CCNCCN(CCO)C(=O)C1(C(=O)NC)CC1 ZINC001484495571 892874196 /nfs/dbraw/zinc/87/41/96/892874196.db2.gz AJHMIILJLJQQMA-UHFFFAOYSA-N 0 3 267.329 -1.444 20 30 CAEDHN CC#CCNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001484667643 892879903 /nfs/dbraw/zinc/87/99/03/892879903.db2.gz FKEZUQKOVXIYDW-LLVKDONJSA-N 0 3 288.369 -1.129 20 30 CAEDHN N#CCNC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001484688313 892882467 /nfs/dbraw/zinc/88/24/67/892882467.db2.gz VIOMNXJGXAWUQM-QMMMGPOBSA-N 0 3 283.288 -3.072 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001484852352 892893293 /nfs/dbraw/zinc/89/32/93/892893293.db2.gz ZYRPXBFFUHYENT-GFCCVEGCSA-N 0 3 263.301 -1.005 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001484838173 892893399 /nfs/dbraw/zinc/89/33/99/892893399.db2.gz KGSMVDZZHSTOIW-GXFFZTMASA-N 0 3 281.312 -1.329 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)CN2CCOCC2)C1 ZINC001484839205 892893431 /nfs/dbraw/zinc/89/34/31/892893431.db2.gz QNEPZBAGYBSOEB-HNNXBMFYSA-N 0 3 295.383 -1.105 20 30 CAEDHN C#CCO[C@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001484952627 892897713 /nfs/dbraw/zinc/89/77/13/892897713.db2.gz IZIBKXGVSNRXJE-LLVKDONJSA-N 0 3 297.355 -1.547 20 30 CAEDHN N#CCNC(=O)CNCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001484945581 892898313 /nfs/dbraw/zinc/89/83/13/892898313.db2.gz IXYKGDCVYJSYEM-UHFFFAOYSA-N 0 3 294.355 -1.021 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001485159570 892911083 /nfs/dbraw/zinc/91/10/83/892911083.db2.gz IERFETGHHRDJME-RKDXNWHRSA-N 0 3 297.359 -1.380 20 30 CAEDHN C#CCCN1CC([C@@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001485536759 892935624 /nfs/dbraw/zinc/93/56/24/892935624.db2.gz XAOUSXXQHASRKZ-SNVBAGLBSA-N 0 3 292.339 -1.002 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)[C@H]1CCC(=O)N1 ZINC001485769353 892943846 /nfs/dbraw/zinc/94/38/46/892943846.db2.gz DINRSTAYBFHVQP-LLVKDONJSA-N 0 3 267.329 -1.037 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485924372 892951092 /nfs/dbraw/zinc/95/10/92/892951092.db2.gz ZQDSAGYZQSUQRT-MXWKQRLJSA-N 0 3 296.371 -1.154 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001485908831 892951712 /nfs/dbraw/zinc/95/17/12/892951712.db2.gz BZYUVJCLHKBBPH-WDEREUQCSA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001485908825 892953278 /nfs/dbraw/zinc/95/32/78/892953278.db2.gz BZYUVJCLHKBBPH-GHMZBOCLSA-N 0 3 296.371 -1.139 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1nc[nH]n1 ZINC001485932977 892955831 /nfs/dbraw/zinc/95/58/31/892955831.db2.gz GIPKEVBVQGVVDI-VIFPVBQESA-N 0 3 278.316 -1.396 20 30 CAEDHN CC(C)NC(=O)NCCN[C@H](CO)CNC(=O)[C@H](C)C#N ZINC001485979401 892967557 /nfs/dbraw/zinc/96/75/57/892967557.db2.gz JCJDCYDOMFQEMQ-MNOVXSKESA-N 0 3 299.375 -1.080 20 30 CAEDHN C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001485983956 892972134 /nfs/dbraw/zinc/97/21/34/892972134.db2.gz WTYZQSWRAXROKJ-RYUDHWBXSA-N 0 3 296.371 -2.103 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001485999301 892977516 /nfs/dbraw/zinc/97/75/16/892977516.db2.gz VFPXUSWJUNUIPR-SECBINFHSA-N 0 3 276.300 -1.009 20 30 CAEDHN C#CCCN[C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001486047733 892997959 /nfs/dbraw/zinc/99/79/59/892997959.db2.gz MKOPHXUYJVRDHU-NSHDSACASA-N 0 3 267.329 -1.397 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001486044599 892998389 /nfs/dbraw/zinc/99/83/89/892998389.db2.gz OJZLWMAOAUVDMX-SECBINFHSA-N 0 3 269.301 -1.708 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001486061083 893011294 /nfs/dbraw/zinc/01/12/94/893011294.db2.gz HBQAKGDSOXSITG-GFCCVEGCSA-N 0 3 296.371 -2.102 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1CC1 ZINC001486254972 893018668 /nfs/dbraw/zinc/01/86/68/893018668.db2.gz ACOZOVSRTBKAAM-PWSUYJOCSA-N 0 3 281.356 -1.057 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1CC1 ZINC001486254973 893019731 /nfs/dbraw/zinc/01/97/31/893019731.db2.gz ACOZOVSRTBKAAM-ZYHUDNBSSA-N 0 3 281.356 -1.057 20 30 CAEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)COC ZINC001486255728 893020925 /nfs/dbraw/zinc/02/09/25/893020925.db2.gz QVHMTNWCSQGJCK-LLVKDONJSA-N 0 3 258.318 -1.309 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241786 893021900 /nfs/dbraw/zinc/02/19/00/893021900.db2.gz ZHHBMMWVGOOJDU-VHSXEESVSA-N 0 3 296.371 -1.011 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001486257283 893022077 /nfs/dbraw/zinc/02/20/77/893022077.db2.gz JGILKJWFMMRUBT-SNVBAGLBSA-N 0 3 287.335 -1.107 20 30 CAEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486263951 893023848 /nfs/dbraw/zinc/02/38/48/893023848.db2.gz ANGWOBVUMHCXGV-VXGBXAGGSA-N 0 3 297.355 -1.676 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)c1cn[nH]c1 ZINC001486264766 893024639 /nfs/dbraw/zinc/02/46/39/893024639.db2.gz HBJNYRZLWANNTI-JTQLQIEISA-N 0 3 294.315 -1.928 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001486274732 893028743 /nfs/dbraw/zinc/02/87/43/893028743.db2.gz QSJYOYXAZLGRKQ-JTQLQIEISA-N 0 3 296.327 -1.996 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486268505 893031648 /nfs/dbraw/zinc/03/16/48/893031648.db2.gz XDIYCDIFVBLYGO-SNVBAGLBSA-N 0 3 293.327 -1.818 20 30 CAEDHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486270956 893032161 /nfs/dbraw/zinc/03/21/61/893032161.db2.gz JLRLOGMRAABEGH-JTQLQIEISA-N 0 3 293.327 -1.345 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C1(C)CC1 ZINC001486279999 893037747 /nfs/dbraw/zinc/03/77/47/893037747.db2.gz UHJYWVUCSPZPAE-LLVKDONJSA-N 0 3 281.356 -1.055 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001486301171 893040605 /nfs/dbraw/zinc/04/06/05/893040605.db2.gz LAENIQSMDUSWRU-VXGBXAGGSA-N 0 3 293.367 -1.055 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001486301170 893040685 /nfs/dbraw/zinc/04/06/85/893040685.db2.gz LAENIQSMDUSWRU-RYUDHWBXSA-N 0 3 293.367 -1.055 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)[C@H]1CC12CC2 ZINC001486301338 893040874 /nfs/dbraw/zinc/04/08/74/893040874.db2.gz MIFMVRWQQGMXPY-WDEREUQCSA-N 0 3 294.355 -1.165 20 30 CAEDHN CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)[C@H]1CC12CC2 ZINC001486301335 893042447 /nfs/dbraw/zinc/04/24/47/893042447.db2.gz MIFMVRWQQGMXPY-GHMZBOCLSA-N 0 3 294.355 -1.165 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)[C@@H]1CC12CC2 ZINC001486301337 893042584 /nfs/dbraw/zinc/04/25/84/893042584.db2.gz MIFMVRWQQGMXPY-QWRGUYRKSA-N 0 3 294.355 -1.165 20 30 CAEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001486305319 893045769 /nfs/dbraw/zinc/04/57/69/893045769.db2.gz CSZIFQKASHZWCV-SNVBAGLBSA-N 0 3 282.300 -1.258 20 30 CAEDHN COCC#CCNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001486305318 893047451 /nfs/dbraw/zinc/04/74/51/893047451.db2.gz CSZIFQKASHZWCV-JTQLQIEISA-N 0 3 282.300 -1.258 20 30 CAEDHN C=CCOCCN(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486346359 893060689 /nfs/dbraw/zinc/06/06/89/893060689.db2.gz CWWUYIZQQBMZSB-SNVBAGLBSA-N 0 3 273.333 -1.575 20 30 CAEDHN C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[n-]1 ZINC001486357327 893066997 /nfs/dbraw/zinc/06/69/97/893066997.db2.gz XLQDARGRLHXQFH-SNVBAGLBSA-N 0 3 265.317 -1.269 20 30 CAEDHN C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[n-]1 ZINC001486357327 893067021 /nfs/dbraw/zinc/06/70/21/893067021.db2.gz XLQDARGRLHXQFH-SNVBAGLBSA-N 0 3 265.317 -1.269 20 30 CAEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001486360556 893070111 /nfs/dbraw/zinc/07/01/11/893070111.db2.gz NNQIVMGRTIUZQT-MNOVXSKESA-N 0 3 297.355 -1.024 20 30 CAEDHN C#CCN1CCC(C(=O)N[C@@H](CO)CNC(C)=O)CC1 ZINC001487923659 893106461 /nfs/dbraw/zinc/10/64/61/893106461.db2.gz CLQQKRLBXXACOD-CYBMUJFWSA-N 0 3 281.356 -1.055 20 30 CAEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O ZINC001489043372 893170313 /nfs/dbraw/zinc/17/03/13/893170313.db2.gz DSKLIXQTOXOKLW-MNOVXSKESA-N 0 3 294.355 -1.562 20 30 CAEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001489217875 893176641 /nfs/dbraw/zinc/17/66/41/893176641.db2.gz BGHFCNBACCZJKB-NSHDSACASA-N 0 3 282.344 -1.292 20 30 CAEDHN CC#CCN(C)CCCNC(=O)CNC(=O)CNC(C)=O ZINC001490215499 893197212 /nfs/dbraw/zinc/19/72/12/893197212.db2.gz NCAQFJFPNAQQFM-UHFFFAOYSA-N 0 3 296.371 -1.300 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COC)C1 ZINC001490806362 893218259 /nfs/dbraw/zinc/21/82/59/893218259.db2.gz UJETVJIPBALWHQ-MNOVXSKESA-N 0 3 267.329 -1.039 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001490840365 893222283 /nfs/dbraw/zinc/22/22/83/893222283.db2.gz WMLDFZMTBFIVPL-IUCAKERBSA-N 0 3 294.315 -2.502 20 30 CAEDHN C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001490836440 893222624 /nfs/dbraw/zinc/22/26/24/893222624.db2.gz CJHXOBJFLKXMDQ-UWVGGRQHSA-N 0 3 295.343 -1.672 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001490860097 893223326 /nfs/dbraw/zinc/22/33/26/893223326.db2.gz DHXLSSAPPUOTRQ-LBPRGKRZSA-N 0 3 289.339 -1.177 20 30 CAEDHN CC#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001490830021 893223956 /nfs/dbraw/zinc/22/39/56/893223956.db2.gz GBYLQWXOIMQVJJ-ZDUSSCGKSA-N 0 3 292.383 -1.026 20 30 CAEDHN COCC#CCN[C@H](C)CNC(=O)CNC(C)=O ZINC001491380754 893267848 /nfs/dbraw/zinc/26/78/48/893267848.db2.gz YNWNESRIHWSVNB-SNVBAGLBSA-N 0 3 255.318 -1.133 20 30 CAEDHN C[C@H](CNC(=O)c1ccnn1C)NCC(=O)NCC#N ZINC001491409083 893270860 /nfs/dbraw/zinc/27/08/60/893270860.db2.gz BRHPDVPSIDLDQT-SECBINFHSA-N 0 3 278.316 -1.232 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC(N)=O ZINC001491416977 893274678 /nfs/dbraw/zinc/27/46/78/893274678.db2.gz CFUVIQQDJGFWFG-RKDXNWHRSA-N 0 3 270.333 -1.353 20 30 CAEDHN C[C@H](CNC(=O)CO[C@H]1CCOC1)NCC(=O)NCC#N ZINC001491454981 893275465 /nfs/dbraw/zinc/27/54/65/893275465.db2.gz NHMCGKZFWNGTGQ-MNOVXSKESA-N 0 3 298.343 -1.474 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445256 893275490 /nfs/dbraw/zinc/27/54/90/893275490.db2.gz SYQZBQAJZIEWMJ-NXEZZACHSA-N 0 3 292.343 -1.339 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)NC ZINC001491473627 893276714 /nfs/dbraw/zinc/27/67/14/893276714.db2.gz LCWMXRBHRGFREI-VIFPVBQESA-N 0 3 283.332 -2.241 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001491545449 893289661 /nfs/dbraw/zinc/28/96/61/893289661.db2.gz BRBCKPLZUABWJR-ZJUUUORDSA-N 0 3 280.328 -2.034 20 30 CAEDHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(=O)NCC#N ZINC001491569966 893294226 /nfs/dbraw/zinc/29/42/26/893294226.db2.gz WOPFGTCKLJYOOG-MRVPVSSYSA-N 0 3 294.315 -1.527 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001491564236 893295534 /nfs/dbraw/zinc/29/55/34/893295534.db2.gz KDLHJILTSHGWGV-SECBINFHSA-N 0 3 293.327 -1.220 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](CC)NC(C)=O ZINC001491587899 893298110 /nfs/dbraw/zinc/29/81/10/893298110.db2.gz OJCYUQWKCLOJRS-ZYHUDNBSSA-N 0 3 296.371 -1.255 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](CC)NC(C)=O ZINC001491587896 893298782 /nfs/dbraw/zinc/29/87/82/893298782.db2.gz OJCYUQWKCLOJRS-CMPLNLGQSA-N 0 3 296.371 -1.255 20 30 CAEDHN CC#CCN[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001491666471 893301164 /nfs/dbraw/zinc/30/11/64/893301164.db2.gz ZKYYOMXQQZPCGH-VIFPVBQESA-N 0 3 266.301 -1.344 20 30 CAEDHN CC#CCN[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001491666470 893303243 /nfs/dbraw/zinc/30/32/43/893303243.db2.gz ZKYYOMXQQZPCGH-SECBINFHSA-N 0 3 266.301 -1.344 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCNC(N)=O ZINC001491663392 893303451 /nfs/dbraw/zinc/30/34/51/893303451.db2.gz AOVZHRYSALIQMG-NXEZZACHSA-N 0 3 297.359 -1.723 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001491712765 893305980 /nfs/dbraw/zinc/30/59/80/893305980.db2.gz YGMOWXJQEQBKPK-LBPRGKRZSA-N 0 3 296.371 -1.043 20 30 CAEDHN C#CCN1CCC(C(=O)NCCCNC(=O)C(N)=O)CC1 ZINC001491728744 893306898 /nfs/dbraw/zinc/30/68/98/893306898.db2.gz VUWSFUIEJQZXRD-UHFFFAOYSA-N 0 3 294.355 -1.561 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491718603 893307704 /nfs/dbraw/zinc/30/77/04/893307704.db2.gz OYIWVQUPMDPRJR-ZJUUUORDSA-N 0 3 282.344 -1.257 20 30 CAEDHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001491712769 893309524 /nfs/dbraw/zinc/30/95/24/893309524.db2.gz YTZOIBUVEZBSHA-NSHDSACASA-N 0 3 295.343 -1.705 20 30 CAEDHN C=CCN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001492311582 893338819 /nfs/dbraw/zinc/33/88/19/893338819.db2.gz YLHVSUYGUBMTFE-UHFFFAOYSA-N 0 3 253.306 -1.184 20 30 CAEDHN C#CCCN(C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001492309882 893338937 /nfs/dbraw/zinc/33/89/37/893338937.db2.gz DIPWBPMBXWEDEV-UHFFFAOYSA-N 0 3 280.372 -1.168 20 30 CAEDHN C=CCN(C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001492293932 893339165 /nfs/dbraw/zinc/33/91/65/893339165.db2.gz RFLTYSFDLAGHMW-QMMMGPOBSA-N 0 3 254.290 -1.182 20 30 CAEDHN C#CCCN(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001492442123 893352595 /nfs/dbraw/zinc/35/25/95/893352595.db2.gz LXPWGIPBSWAUFQ-UHFFFAOYSA-N 0 3 292.339 -1.231 20 30 CAEDHN C#CCCN(C)CCNC(=O)CS(=O)(=O)NC ZINC001492862475 893362610 /nfs/dbraw/zinc/36/26/10/893362610.db2.gz CNKWEOJDMCNUQH-UHFFFAOYSA-N 0 3 261.347 -1.393 20 30 CAEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001493212305 893384852 /nfs/dbraw/zinc/38/48/52/893384852.db2.gz VSOJABPJWMTMNN-ZJUUUORDSA-N 0 3 278.312 -1.344 20 30 CAEDHN C#CCN1CC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001493253354 893390796 /nfs/dbraw/zinc/39/07/96/893390796.db2.gz QMIYNCAMUCRLLR-NSHDSACASA-N 0 3 292.339 -1.000 20 30 CAEDHN Cc1cnn(CC(=O)N(C)CCNCC(=O)NCC#N)c1 ZINC001493489206 893401032 /nfs/dbraw/zinc/40/10/32/893401032.db2.gz YDJIOXCYXIRISO-UHFFFAOYSA-N 0 3 292.343 -1.121 20 30 CAEDHN COCC#CCNCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001493498600 893402443 /nfs/dbraw/zinc/40/24/43/893402443.db2.gz SQMRHYNISNWHDK-LLVKDONJSA-N 0 3 267.329 -1.037 20 30 CAEDHN C#CCNCCN(C)C(=O)CCNS(C)(=O)=O ZINC001493568065 893403974 /nfs/dbraw/zinc/40/39/74/893403974.db2.gz QMENYDBGVLRQHZ-UHFFFAOYSA-N 0 3 261.347 -1.393 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001493547095 893404991 /nfs/dbraw/zinc/40/49/91/893404991.db2.gz RQIJCISRHNLYFY-JTQLQIEISA-N 0 3 298.343 -1.472 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)Cc1nnc(C)o1 ZINC001493537559 893405522 /nfs/dbraw/zinc/40/55/22/893405522.db2.gz IYTVODLGMMQTNY-UHFFFAOYSA-N 0 3 293.327 -1.282 20 30 CAEDHN CN(CCNCC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001493537837 893405557 /nfs/dbraw/zinc/40/55/57/893405557.db2.gz PHGYYTKEPDVFLJ-UHFFFAOYSA-N 0 3 266.301 -1.357 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCN(C)C(=O)Cn1ncnn1 ZINC001493549090 893405687 /nfs/dbraw/zinc/40/56/87/893405687.db2.gz CVCJCAMFPSAVNG-JTQLQIEISA-N 0 3 293.331 -2.141 20 30 CAEDHN C#CCNCCN(C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001493555294 893405963 /nfs/dbraw/zinc/40/59/63/893405963.db2.gz NVZVVDIZHSEQKW-SNVBAGLBSA-N 0 3 275.374 -1.005 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001493654558 893407106 /nfs/dbraw/zinc/40/71/06/893407106.db2.gz FAMRYHDGFRKMCU-JTQLQIEISA-N 0 3 295.343 -2.193 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1n[nH]nc1C ZINC001493653300 893407591 /nfs/dbraw/zinc/40/75/91/893407591.db2.gz MIKHGSFCBXPRJN-JTQLQIEISA-N 0 3 292.343 -1.087 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CAEDHN C=CCN1CC[C@H](NC/C=C/CNC(=O)CC(N)=O)C1=O ZINC001497551092 893623490 /nfs/dbraw/zinc/62/34/90/893623490.db2.gz UNUHPCUSAUXIRP-UFFNRZRYSA-N 0 3 294.355 -1.089 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)CC(N)=O ZINC001497550716 893624550 /nfs/dbraw/zinc/62/45/50/893624550.db2.gz NXZDTAVTIJXWLK-YEZKRMTDSA-N 0 3 280.328 -1.738 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497784646 893634215 /nfs/dbraw/zinc/63/42/15/893634215.db2.gz ICCWVZBPTCGTMH-SECBINFHSA-N 0 3 281.320 -1.930 20 30 CAEDHN C#CCOCCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001497815514 893634699 /nfs/dbraw/zinc/63/46/99/893634699.db2.gz GOEOLEHBNWEPNV-GHMZBOCLSA-N 0 3 295.339 -1.074 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001497807645 893635137 /nfs/dbraw/zinc/63/51/37/893635137.db2.gz XUYXOGOVHWTKGF-SNVBAGLBSA-N 0 3 277.328 -1.123 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCOC1 ZINC001497794090 893635919 /nfs/dbraw/zinc/63/59/19/893635919.db2.gz APTXOMOAAYTZLK-MNOVXSKESA-N 0 3 267.329 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/nfs/dbraw/zinc/66/08/32/893660832.db2.gz JPRCKMPMAJEKHW-JTQLQIEISA-N 0 3 296.371 -1.091 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1nonc1C ZINC001498150783 893661316 /nfs/dbraw/zinc/66/13/16/893661316.db2.gz ALIWUCVMBSAZSU-VIFPVBQESA-N 0 3 293.327 -1.236 20 30 CAEDHN CC#CCNC1(CNC(=O)CNS(=O)(=O)NC)CC1 ZINC001499302085 893712815 /nfs/dbraw/zinc/71/28/15/893712815.db2.gz RZPFGEBFSYZJPP-UHFFFAOYSA-N 0 3 288.373 -1.698 20 30 CAEDHN C#CCNC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001499364870 893718432 /nfs/dbraw/zinc/71/84/32/893718432.db2.gz HEEUPGDSFYGCGN-QMMMGPOBSA-N 0 3 264.285 -1.544 20 30 CAEDHN C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CNC(C)=O ZINC001499865933 893724562 /nfs/dbraw/zinc/72/45/62/893724562.db2.gz DTJPJGYGTDTXNF-GFCCVEGCSA-N 0 3 294.355 -1.548 20 30 CAEDHN C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1nc[n-]n1 ZINC001499934768 893729271 /nfs/dbraw/zinc/72/92/71/893729271.db2.gz JSHGUFOPCPWYFB-SNVBAGLBSA-N 0 3 290.327 -1.252 20 30 CAEDHN C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500677664 893744213 /nfs/dbraw/zinc/74/42/13/893744213.db2.gz OFVDDLVGBPYBEL-DGCLKSJQSA-N 0 3 270.329 -1.430 20 30 CAEDHN C#CCOCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500677836 893747169 /nfs/dbraw/zinc/74/71/69/893747169.db2.gz RXULAFYAWGQXSK-ZDUSSCGKSA-N 0 3 270.329 -1.428 20 30 CAEDHN C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500677666 893747538 /nfs/dbraw/zinc/74/75/38/893747538.db2.gz OFVDDLVGBPYBEL-YPMHNXCESA-N 0 3 270.329 -1.430 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001500707816 893751231 /nfs/dbraw/zinc/75/12/31/893751231.db2.gz ZDHQTQOAVUBROL-ZWNOBZJWSA-N 0 3 267.329 -1.139 20 30 CAEDHN CNC(=O)NC(=O)CNCCN(CCO)C(=O)[C@H](C)C#N ZINC001501443780 893797668 /nfs/dbraw/zinc/79/76/68/893797668.db2.gz UMNAIJOUVQDWLI-SECBINFHSA-N 0 3 299.331 -1.988 20 30 CAEDHN C[C@@H](C#N)C(=O)N(CCO)CCNCC(=O)NC1CC1 ZINC001501442928 893797700 /nfs/dbraw/zinc/79/77/00/893797700.db2.gz HVKODCJOIOFZHQ-JTQLQIEISA-N 0 3 282.344 -1.165 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)c1ncn(C)n1 ZINC001501455169 893801695 /nfs/dbraw/zinc/80/16/95/893801695.db2.gz MHJIMQGZNAHNQR-UHFFFAOYSA-N 0 3 265.317 -1.138 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001501464062 893803935 /nfs/dbraw/zinc/80/39/35/893803935.db2.gz OIUMRIWTYZHGKH-UHFFFAOYSA-N 0 3 269.345 -1.068 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CN(C)S(C)(=O)=O ZINC001501460694 893804439 /nfs/dbraw/zinc/80/44/39/893804439.db2.gz LGOCHXQMQDOGID-UHFFFAOYSA-N 0 3 291.373 -2.079 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)CCNC(N)=O ZINC001501511587 893813660 /nfs/dbraw/zinc/81/36/60/893813660.db2.gz VXZJHTDGOFMSJU-UHFFFAOYSA-N 0 3 270.333 -1.521 20 30 CAEDHN CC#CCNCCN(CCO)C(=O)CCn1cnnn1 ZINC001501501200 893814899 /nfs/dbraw/zinc/81/48/99/893814899.db2.gz SPBDDQZJZVHIEV-UHFFFAOYSA-N 0 3 280.332 -1.503 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1ccc(=O)n(C)n1 ZINC001501511050 893815314 /nfs/dbraw/zinc/81/53/14/893815314.db2.gz ACPVMSWEMOXNPD-UHFFFAOYSA-N 0 3 278.312 -1.562 20 30 CAEDHN C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001501886689 893830817 /nfs/dbraw/zinc/83/08/17/893830817.db2.gz LINQGFVNVGWCPC-SNVBAGLBSA-N 0 3 282.344 -1.255 20 30 CAEDHN C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001502051334 893834255 /nfs/dbraw/zinc/83/42/55/893834255.db2.gz NSQRCCOIQPYHEO-ZWNOBZJWSA-N 0 3 285.344 -1.384 20 30 CAEDHN C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCC)CCO1 ZINC001502035845 893835419 /nfs/dbraw/zinc/83/54/19/893835419.db2.gz IZTVOMBAAFMCSD-GFCCVEGCSA-N 0 3 297.355 -1.411 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001502035840 893834908 /nfs/dbraw/zinc/83/49/08/893834908.db2.gz IVPKZYDMEXKYQV-SNVBAGLBSA-N 0 3 264.289 -1.877 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001502035839 893836459 /nfs/dbraw/zinc/83/64/59/893836459.db2.gz IVPKZYDMEXKYQV-JTQLQIEISA-N 0 3 264.289 -1.877 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001502068631 893838800 /nfs/dbraw/zinc/83/88/00/893838800.db2.gz HOAOUKVPDXYHPB-WDEREUQCSA-N 0 3 280.328 -1.540 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001502068628 893839504 /nfs/dbraw/zinc/83/95/04/893839504.db2.gz HOAOUKVPDXYHPB-GHMZBOCLSA-N 0 3 280.328 -1.540 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001502560200 893849982 /nfs/dbraw/zinc/84/99/82/893849982.db2.gz ORAQOHDNJGDVDY-UKRRQHHQSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001502560201 893850874 /nfs/dbraw/zinc/85/08/74/893850874.db2.gz ORAQOHDNJGDVDY-ZFWWWQNUSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001502580709 893851159 /nfs/dbraw/zinc/85/11/59/893851159.db2.gz RVGIVCVWOPXWOZ-SMDDNHRTSA-N 0 3 294.355 -1.414 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001502560198 893852190 /nfs/dbraw/zinc/85/21/90/893852190.db2.gz ORAQOHDNJGDVDY-HIFRSBDPSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001502580708 893852649 /nfs/dbraw/zinc/85/26/49/893852649.db2.gz RVGIVCVWOPXWOZ-RISCZKNCSA-N 0 3 294.355 -1.414 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 ZINC001502599957 893855966 /nfs/dbraw/zinc/85/59/66/893855966.db2.gz KVLRJUGSJFQXFN-CYBMUJFWSA-N 0 3 282.344 -1.379 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001502698118 893860636 /nfs/dbraw/zinc/86/06/36/893860636.db2.gz LVSRRCLTRWTSNJ-JQWIXIFHSA-N 0 3 296.371 -1.139 20 30 CAEDHN COCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC#N)C1 ZINC001502696769 893860808 /nfs/dbraw/zinc/86/08/08/893860808.db2.gz HVSXUZOLVKQVGZ-ZJUUUORDSA-N 0 3 268.317 -1.291 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001505606917 893884287 /nfs/dbraw/zinc/88/42/87/893884287.db2.gz YBJUWFCKDRIRMD-ZJUUUORDSA-N 0 3 295.347 -1.542 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001505618228 893884931 /nfs/dbraw/zinc/88/49/31/893884931.db2.gz IPCVTXBDCHZAHS-VHSXEESVSA-N 0 3 299.375 -1.300 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001505618226 893885024 /nfs/dbraw/zinc/88/50/24/893885024.db2.gz IPCVTXBDCHZAHS-NXEZZACHSA-N 0 3 299.375 -1.300 20 30 CAEDHN C[C@@H](NC(=O)c1ncn(C)n1)[C@H](C)NCC(=O)NCC#N ZINC001505598167 893885804 /nfs/dbraw/zinc/88/58/04/893885804.db2.gz AEEFCZDYSPUPKL-DTWKUNHWSA-N 0 3 293.331 -1.449 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001505618227 893886561 /nfs/dbraw/zinc/88/65/61/893886561.db2.gz IPCVTXBDCHZAHS-UWVGGRQHSA-N 0 3 299.375 -1.300 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001505680820 893888709 /nfs/dbraw/zinc/88/87/09/893888709.db2.gz FTNWYJNZHYVUGV-UWVGGRQHSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001505671423 893890540 /nfs/dbraw/zinc/89/05/40/893890540.db2.gz RKDUBZVHODOAQD-BDAKNGLRSA-N 0 3 293.331 -1.944 20 30 CAEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001506789498 893943554 /nfs/dbraw/zinc/94/35/54/893943554.db2.gz WRWVXCQCWBJRDW-CNDDSTCGSA-N 0 3 274.328 -1.010 20 30 CAEDHN COCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NCC#N)C1 ZINC001506830207 893944285 /nfs/dbraw/zinc/94/42/85/893944285.db2.gz DSJJYQOPFLMCSV-GHMZBOCLSA-N 0 3 298.343 -1.522 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C(N)=O ZINC001507020834 893950151 /nfs/dbraw/zinc/95/01/51/893950151.db2.gz AGMRPEMNGGKJTR-SNVBAGLBSA-N 0 3 280.328 -1.952 20 30 CAEDHN C=CCOCC(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001507058468 893956005 /nfs/dbraw/zinc/95/60/05/893956005.db2.gz BGUBZQNBOVMDGM-SECBINFHSA-N 0 3 286.332 -1.180 20 30 CAEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001507071341 893957117 /nfs/dbraw/zinc/95/71/17/893957117.db2.gz LISUNRVOYBYXNL-NXEZZACHSA-N 0 3 255.318 -1.054 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001507111284 893957155 /nfs/dbraw/zinc/95/71/55/893957155.db2.gz SXTMQAZBDDRYIY-QWRGUYRKSA-N 0 3 296.371 -1.316 20 30 CAEDHN C=CCOCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001507276151 894034610 /nfs/dbraw/zinc/03/46/10/894034610.db2.gz ZJTAYLRQPGEOQG-VHSXEESVSA-N 0 3 298.343 -1.037 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001507307339 894038268 /nfs/dbraw/zinc/03/82/68/894038268.db2.gz TUEUQGBPMKTZAL-NXEZZACHSA-N 0 3 282.344 -1.257 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507289911 894038815 /nfs/dbraw/zinc/03/88/15/894038815.db2.gz LLEOGZRLTFFYET-RKDXNWHRSA-N 0 3 268.317 -1.647 20 30 CAEDHN COCC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@H]1C ZINC001507300048 894039043 /nfs/dbraw/zinc/03/90/43/894039043.db2.gz KAISUKUBJZYJDS-ZJUUUORDSA-N 0 3 268.317 -1.148 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507289907 894040023 /nfs/dbraw/zinc/04/00/23/894040023.db2.gz LLEOGZRLTFFYET-BDAKNGLRSA-N 0 3 268.317 -1.647 20 30 CAEDHN COCC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@@H]1C ZINC001507300042 894040784 /nfs/dbraw/zinc/04/07/84/894040784.db2.gz KAISUKUBJZYJDS-UWVGGRQHSA-N 0 3 268.317 -1.148 20 30 CAEDHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N ZINC001507458105 894042322 /nfs/dbraw/zinc/04/23/22/894042322.db2.gz PLPNFUBXQRVIPN-VIFPVBQESA-N 0 3 272.305 -2.319 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001507461939 894042581 /nfs/dbraw/zinc/04/25/81/894042581.db2.gz SXGJLEILVDRMSU-NEPJUHHUSA-N 0 3 299.371 -1.124 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001507443026 894045199 /nfs/dbraw/zinc/04/51/99/894045199.db2.gz LRLUSHOVIRIHBP-VHSXEESVSA-N 0 3 294.355 -1.564 20 30 CAEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001507464654 894046785 /nfs/dbraw/zinc/04/67/85/894046785.db2.gz ANDYBWVJFJOFTJ-CYBMUJFWSA-N 0 3 299.371 -1.477 20 30 CAEDHN C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001507470003 894049087 /nfs/dbraw/zinc/04/90/87/894049087.db2.gz INTLRLXLXKINOU-SNVBAGLBSA-N 0 3 265.317 -1.221 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001507468667 894050256 /nfs/dbraw/zinc/05/02/56/894050256.db2.gz ZQIHUYOJEYNOOW-QWRGUYRKSA-N 0 3 285.344 -1.820 20 30 CAEDHN C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001507470000 894050709 /nfs/dbraw/zinc/05/07/09/894050709.db2.gz INTLRLXLXKINOU-JTQLQIEISA-N 0 3 265.317 -1.221 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001507468666 894051168 /nfs/dbraw/zinc/05/11/68/894051168.db2.gz ZQIHUYOJEYNOOW-MNOVXSKESA-N 0 3 285.344 -1.820 20 30 CAEDHN C#CCCCC(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001507475748 894054671 /nfs/dbraw/zinc/05/46/71/894054671.db2.gz RERLLLWODZQQTO-LLVKDONJSA-N 0 3 269.345 -1.055 20 30 CAEDHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001507475578 894055738 /nfs/dbraw/zinc/05/57/38/894055738.db2.gz ZFIIBNGZEZFUKC-LDYMZIIASA-N 0 3 293.327 -1.217 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507502125 894061092 /nfs/dbraw/zinc/06/10/92/894061092.db2.gz GPPOWGGJXIBGAZ-MRVPVSSYSA-N 0 3 270.289 -3.370 20 30 CAEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507509441 894061810 /nfs/dbraw/zinc/06/18/10/894061810.db2.gz VUMKATUHMBIMFJ-GVXVVHGQSA-N 0 3 299.371 -1.138 20 30 CAEDHN 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C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)CC ZINC001124882984 776015880 /nfs/dbraw/zinc/01/58/80/776015880.db2.gz KKFSQYXTISRUMS-JTQLQIEISA-N 0 3 284.360 -1.091 20 30 CAEDHN C[C@@H](C#N)C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001124888406 776016350 /nfs/dbraw/zinc/01/63/50/776016350.db2.gz JEMUORZGRUFOGM-QMMMGPOBSA-N 0 3 281.316 -1.160 20 30 CAEDHN C[C@@H](C#N)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124898062 776017137 /nfs/dbraw/zinc/01/71/37/776017137.db2.gz YERHNQGYMBMBJC-JGVFFNPUSA-N 0 3 252.274 -1.343 20 30 CAEDHN COCCOCC(=O)NCCNCC(=O)NCC#N ZINC001124908516 776017529 /nfs/dbraw/zinc/01/75/29/776017529.db2.gz MPMCXCWDCWKUDE-UHFFFAOYSA-N 0 3 272.305 -2.005 20 30 CAEDHN C[C@@H](C#N)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124898069 776017659 /nfs/dbraw/zinc/01/76/59/776017659.db2.gz YERHNQGYMBMBJC-YUMQZZPRSA-N 0 3 252.274 -1.343 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)C#N ZINC001124908513 776018043 /nfs/dbraw/zinc/01/80/43/776018043.db2.gz MKSVKXWHEWEMEM-VHSXEESVSA-N 0 3 250.302 -1.010 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)C#N ZINC001124908514 776018063 /nfs/dbraw/zinc/01/80/63/776018063.db2.gz MKSVKXWHEWEMEM-ZJUUUORDSA-N 0 3 250.302 -1.010 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)C#N ZINC001124908511 776018229 /nfs/dbraw/zinc/01/82/29/776018229.db2.gz MKSVKXWHEWEMEM-NXEZZACHSA-N 0 3 250.302 -1.010 20 30 CAEDHN C[C@H](C#N)C(=O)NCCNCCNS(C)(=O)=O ZINC001124903944 776018257 /nfs/dbraw/zinc/01/82/57/776018257.db2.gz URIFGEVTYZHHCS-MRVPVSSYSA-N 0 3 262.335 -1.599 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)COCCOC ZINC001124941791 776019677 /nfs/dbraw/zinc/01/96/77/776019677.db2.gz PSYKIDSUGVPESM-NSHDSACASA-N 0 3 285.344 -1.507 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)COCCOC ZINC001124941790 776019782 /nfs/dbraw/zinc/01/97/82/776019782.db2.gz PSYKIDSUGVPESM-LLVKDONJSA-N 0 3 285.344 -1.507 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125085277 776023668 /nfs/dbraw/zinc/02/36/68/776023668.db2.gz WMFRYALFJHWKLU-SECBINFHSA-N 0 3 268.317 -1.646 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125085278 776024213 /nfs/dbraw/zinc/02/42/13/776024213.db2.gz WMFRYALFJHWKLU-VIFPVBQESA-N 0 3 268.317 -1.646 20 30 CAEDHN C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095652 776024996 /nfs/dbraw/zinc/02/49/96/776024996.db2.gz VZWRXNHOAMBXIR-QMMMGPOBSA-N 0 3 299.331 -2.032 20 30 CAEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095651 776025607 /nfs/dbraw/zinc/02/56/07/776025607.db2.gz VZWRXNHOAMBXIR-MRVPVSSYSA-N 0 3 299.331 -2.032 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125203978 776027542 /nfs/dbraw/zinc/02/75/42/776027542.db2.gz WPLFPEQEJQEZLV-VXGBXAGGSA-N 0 3 298.387 -1.287 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C[C@H]1CCOC1 ZINC001125119162 776028079 /nfs/dbraw/zinc/02/80/79/776028079.db2.gz ZSBBQCZLKQKDAI-LLVKDONJSA-N 0 3 267.329 -1.132 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125227256 776028979 /nfs/dbraw/zinc/02/89/79/776028979.db2.gz PHEFLYJOSHYIRF-RYUDHWBXSA-N 0 3 296.371 -1.839 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125220649 776030225 /nfs/dbraw/zinc/03/02/25/776030225.db2.gz KJUCCUAMGVJUFC-GFCCVEGCSA-N 0 3 269.345 -1.327 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127743407 776037918 /nfs/dbraw/zinc/03/79/18/776037918.db2.gz NDAPCITYSSSOFG-GWCFXTLKSA-N 0 3 265.313 -1.522 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127754146 776039018 /nfs/dbraw/zinc/03/90/18/776039018.db2.gz XQXVOCRWBRBSGT-MJVIPROJSA-N 0 3 279.340 -1.133 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077687738 776058146 /nfs/dbraw/zinc/05/81/46/776058146.db2.gz WEQHPVWODKROCA-LMLFDSFASA-N 0 3 267.329 -1.155 20 30 CAEDHN C#CCNCCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127860535 776061974 /nfs/dbraw/zinc/06/19/74/776061974.db2.gz QALDVPGKMOWKFE-VIFPVBQESA-N 0 3 261.347 -1.347 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754601 776066412 /nfs/dbraw/zinc/06/64/12/776066412.db2.gz JHKYEIAZYZDYCE-IVZWLZJFSA-N 0 3 296.327 -1.678 20 30 CAEDHN COCC(=O)N[C@H](C)C(=O)NCCNCC(=O)NCC#N ZINC001127968328 776073526 /nfs/dbraw/zinc/07/35/26/776073526.db2.gz ZFWKXEISIFFMBT-SECBINFHSA-N 0 3 299.331 -2.517 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(=O)CC ZINC001127974706 776075302 /nfs/dbraw/zinc/07/53/02/776075302.db2.gz ZNLOEVJDLSEBMF-MNOVXSKESA-N 0 3 296.371 -1.255 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077831046 776089008 /nfs/dbraw/zinc/08/90/08/776089008.db2.gz GDOIJQGLADQYND-GHMZBOCLSA-N 0 3 295.339 -1.223 20 30 CAEDHN COCC#CCNCCNC(=O)C1CS(=O)(=O)C1 ZINC001128098391 776101161 /nfs/dbraw/zinc/10/11/61/776101161.db2.gz HWYAEMUIJDQMBN-UHFFFAOYSA-N 0 3 274.342 -1.613 20 30 CAEDHN C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001077975287 776108079 /nfs/dbraw/zinc/10/80/79/776108079.db2.gz IOVFLUOKNYRAGI-RKDXNWHRSA-N 0 3 251.290 -1.306 20 30 CAEDHN C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001077996837 776111736 /nfs/dbraw/zinc/11/17/36/776111736.db2.gz GOAHPDGYZOZCHF-ZWKOPEQDSA-N 0 3 289.339 -1.296 20 30 CAEDHN C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001077996837 776111740 /nfs/dbraw/zinc/11/17/40/776111740.db2.gz GOAHPDGYZOZCHF-ZWKOPEQDSA-N 0 3 289.339 -1.296 20 30 CAEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001078079781 776116941 /nfs/dbraw/zinc/11/69/41/776116941.db2.gz JEKJJQIVQMHFAI-GHMZBOCLSA-N 0 3 263.301 -1.055 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146616 776128218 /nfs/dbraw/zinc/12/82/18/776128218.db2.gz QQMCXNLIVQTGGT-NXEZZACHSA-N 0 3 296.327 -1.724 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099635639 776139499 /nfs/dbraw/zinc/13/94/99/776139499.db2.gz HGVLOAQOXFQBEH-NWDGAFQWSA-N 0 3 267.329 -1.303 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099635640 776139531 /nfs/dbraw/zinc/13/95/31/776139531.db2.gz HGVLOAQOXFQBEH-RYUDHWBXSA-N 0 3 267.329 -1.303 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078294961 776140084 /nfs/dbraw/zinc/14/00/84/776140084.db2.gz OJWZYRNQSXPLHD-HBNTYKKESA-N 0 3 295.339 -1.223 20 30 CAEDHN COCC#CCNCCNC(=O)Cn1nccn1 ZINC001128269881 776156179 /nfs/dbraw/zinc/15/61/79/776156179.db2.gz VJVGMSWWHGLRTJ-UHFFFAOYSA-N 0 3 251.290 -1.366 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269642 776156225 /nfs/dbraw/zinc/15/62/25/776156225.db2.gz NUAGFKYAZSAIMP-UHFFFAOYSA-N 0 3 265.277 -2.376 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1nccn1 ZINC001128277737 776157481 /nfs/dbraw/zinc/15/74/81/776157481.db2.gz BAUKLNJWPRVFGJ-JTQLQIEISA-N 0 3 278.316 -1.878 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1nccn1 ZINC001128280497 776159027 /nfs/dbraw/zinc/15/90/27/776159027.db2.gz ZMJBZPKBXVGVKO-JTQLQIEISA-N 0 3 280.332 -1.325 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1nccn1 ZINC001128280498 776159095 /nfs/dbraw/zinc/15/90/95/776159095.db2.gz ZMJBZPKBXVGVKO-SNVBAGLBSA-N 0 3 280.332 -1.325 20 30 CAEDHN N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001272992403 776172443 /nfs/dbraw/zinc/17/24/43/776172443.db2.gz BUNUVIUFWGCVQT-SECBINFHSA-N 0 3 281.316 -1.918 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055822 776176729 /nfs/dbraw/zinc/17/67/29/776176729.db2.gz YYUXKWBXFWDUKH-WDEREUQCSA-N 0 3 278.316 -1.752 20 30 CAEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054940 776176785 /nfs/dbraw/zinc/17/67/85/776176785.db2.gz NJWOATQYDRXBBH-QWRGUYRKSA-N 0 3 280.332 -1.199 20 30 CAEDHN CC#CCNCCNC(=O)CN1CCCS1(=O)=O ZINC001128823516 776218059 /nfs/dbraw/zinc/21/80/59/776218059.db2.gz LGCQNXXIEMZABZ-UHFFFAOYSA-N 0 3 273.358 -1.249 20 30 CAEDHN COCC(=O)NCC1(NCC(=O)NCC#N)CCC1 ZINC001273025008 776181028 /nfs/dbraw/zinc/18/10/28/776181028.db2.gz FOUIONIPLUYGQT-UHFFFAOYSA-N 0 3 268.317 -1.099 20 30 CAEDHN COCC#CCNCCNC(=O)CN(C)S(C)(=O)=O ZINC001128603928 776199287 /nfs/dbraw/zinc/19/92/87/776199287.db2.gz PVCXRVZJYCFFIE-UHFFFAOYSA-N 0 3 291.373 -1.767 20 30 CAEDHN CCN1C[C@H](C(=O)NCCNCC(=O)NCC#N)CC1=O ZINC001128644415 776201691 /nfs/dbraw/zinc/20/16/91/776201691.db2.gz RHEPCELOMYDFEV-SNVBAGLBSA-N 0 3 295.343 -1.800 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128643210 776202409 /nfs/dbraw/zinc/20/24/09/776202409.db2.gz GOIWSADNDHRLGA-LLVKDONJSA-N 0 3 296.371 -1.137 20 30 CAEDHN C#CCNCCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001128644164 776202557 /nfs/dbraw/zinc/20/25/57/776202557.db2.gz PEEKXYGFYQPXEB-LLVKDONJSA-N 0 3 267.329 -1.180 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001128643211 776202651 /nfs/dbraw/zinc/20/26/51/776202651.db2.gz GOIWSADNDHRLGA-NSHDSACASA-N 0 3 296.371 -1.137 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128664248 776204074 /nfs/dbraw/zinc/20/40/74/776204074.db2.gz CEASMWYBOCSLSV-SNVBAGLBSA-N 0 3 280.328 -2.080 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665877 776205757 /nfs/dbraw/zinc/20/57/57/776205757.db2.gz VSMRHKWYBCLNAY-JTQLQIEISA-N 0 3 282.344 -1.527 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CCNC(=O)COC ZINC001128686960 776206848 /nfs/dbraw/zinc/20/68/48/776206848.db2.gz ZWTDRZTTWYRAPA-UHFFFAOYSA-N 0 3 298.343 -2.406 20 30 CAEDHN COCC#CCNCCNC(=O)CCNC(=O)COC ZINC001128691909 776209226 /nfs/dbraw/zinc/20/92/26/776209226.db2.gz OYVOZENCADGDRJ-UHFFFAOYSA-N 0 3 285.344 -1.505 20 30 CAEDHN COCC#CCNCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128727338 776210942 /nfs/dbraw/zinc/21/09/42/776210942.db2.gz FZPGHYAVTCCXJP-LLVKDONJSA-N 0 3 295.339 -1.121 20 30 CAEDHN C#CCNCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128764098 776211826 /nfs/dbraw/zinc/21/18/26/776211826.db2.gz REXOAGUTOVXEHR-UHFFFAOYSA-N 0 3 264.285 -2.114 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128789040 776214224 /nfs/dbraw/zinc/21/42/24/776214224.db2.gz CTPKCZQCPRGGEQ-UHFFFAOYSA-N 0 3 269.305 -2.629 20 30 CAEDHN CNC(=O)NCC(=O)NCCNCC#CCOC ZINC001128789445 776214274 /nfs/dbraw/zinc/21/42/74/776214274.db2.gz GGXQVOTUORKTPW-UHFFFAOYSA-N 0 3 256.306 -1.729 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128789502 776214806 /nfs/dbraw/zinc/21/48/06/776214806.db2.gz HSYRCWFXNUFASJ-UHFFFAOYSA-N 0 3 271.321 -2.077 20 30 CAEDHN CNC(=O)NCC(=O)NCCNCC(=O)NCC#N ZINC001128790565 776216715 /nfs/dbraw/zinc/21/67/15/776216715.db2.gz XKVLXVPADMEFAO-UHFFFAOYSA-N 0 3 270.293 -2.739 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)NC ZINC001128800657 776217936 /nfs/dbraw/zinc/21/79/36/776217936.db2.gz YBUNCXUZCJYJEF-SECBINFHSA-N 0 3 283.332 -2.241 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090203705 776222806 /nfs/dbraw/zinc/22/28/06/776222806.db2.gz IYILMACZABIQJY-KGLIPLIRSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C1(F)CCOCC1 ZINC001128980866 776228722 /nfs/dbraw/zinc/22/87/22/776228722.db2.gz HDQJZRNFEUBARP-UHFFFAOYSA-N 0 3 285.319 -1.040 20 30 CAEDHN CN1CCN(CCC(=O)N[C@@H](C#N)C(N)=O)CC1 ZINC001143237108 776242814 /nfs/dbraw/zinc/24/28/14/776242814.db2.gz DVQMASIQYZNNEA-VIFPVBQESA-N 0 3 253.306 -1.882 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CCc1c[nH]cn1 ZINC001128967381 776229510 /nfs/dbraw/zinc/22/95/10/776229510.db2.gz OLKSSOQPFXHRKW-UHFFFAOYSA-N 0 3 277.328 -1.203 20 30 CAEDHN C#CCN1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001090233361 776234381 /nfs/dbraw/zinc/23/43/81/776234381.db2.gz GWVPBDRSTZUGGX-MNOVXSKESA-N 0 3 277.328 -1.160 20 30 CAEDHN C#CCN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001090233362 776234650 /nfs/dbraw/zinc/23/46/50/776234650.db2.gz GWVPBDRSTZUGGX-QWRGUYRKSA-N 0 3 277.328 -1.160 20 30 CAEDHN C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCN(C)C ZINC001117988657 776237487 /nfs/dbraw/zinc/23/74/87/776237487.db2.gz ZLCQYWOMHLLZQV-LLVKDONJSA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCOCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC001117973078 776238245 /nfs/dbraw/zinc/23/82/45/776238245.db2.gz NVPCAUYKCKPNML-QWRGUYRKSA-N 0 3 297.355 -1.018 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)Cc1cnn(C)c1C ZINC001129048113 776239842 /nfs/dbraw/zinc/23/98/42/776239842.db2.gz MCPDAQIHEAOOCO-UHFFFAOYSA-N 0 3 291.355 -1.274 20 30 CAEDHN 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294.355 -1.058 20 30 CAEDHN C=C(CCN(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001301916602 778136083 /nfs/dbraw/zinc/13/60/83/778136083.db2.gz REIDWTASOPPGTF-NXEZZACHSA-N 0 3 276.358 -1.232 20 30 CAEDHN CN(CCC#N)C[C@@H](O)CNCCNS(C)(=O)=O ZINC001118088673 779547571 /nfs/dbraw/zinc/54/75/71/779547571.db2.gz NNJBIXIRECTCFE-JTQLQIEISA-N 0 3 278.378 -1.668 20 30 CAEDHN C#CCNCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001121924237 779652642 /nfs/dbraw/zinc/65/26/42/779652642.db2.gz YLKVRYCZQLLHEU-CQSZACIVSA-N 0 3 294.399 -1.268 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H](CCC)NC(N)=O ZINC001149095231 779663064 /nfs/dbraw/zinc/66/30/64/779663064.db2.gz WWEQWNZAWWFYTA-SNVBAGLBSA-N 0 3 299.375 -1.169 20 30 CAEDHN C#CCNCC(=O)N1CCN(C)CCN(C)CC1 ZINC001122290727 779663257 /nfs/dbraw/zinc/66/32/57/779663257.db2.gz KVPSEMAPXXQMOL-UHFFFAOYSA-N 0 3 252.362 -1.085 20 30 CAEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)C(F)F ZINC001122400264 779667551 /nfs/dbraw/zinc/66/75/51/779667551.db2.gz QSSUTXIZQLAJNG-UHFFFAOYSA-N 0 3 278.259 -1.031 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C1CCOCC1 ZINC001122496801 779671380 /nfs/dbraw/zinc/67/13/80/779671380.db2.gz AYALYMDRSZMKPA-UHFFFAOYSA-N 0 3 267.329 -1.132 20 30 CAEDHN CCN(CCC#N)C(=O)CNCCNC(=O)CNC(C)=O ZINC001122667385 779673284 /nfs/dbraw/zinc/67/32/84/779673284.db2.gz CJYNYLWTRXMITJ-UHFFFAOYSA-N 0 3 297.359 -1.410 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)CNC(C)=O)C1=O ZINC001122674771 779673372 /nfs/dbraw/zinc/67/33/72/779673372.db2.gz BWUKDEWNMLZTHE-LLVKDONJSA-N 0 3 282.344 -1.385 20 30 CAEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667628 779673715 /nfs/dbraw/zinc/67/37/15/779673715.db2.gz JINHFEUYDJPVFJ-UHFFFAOYSA-N 0 3 299.331 -2.160 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(C)=O ZINC001122680219 779674814 /nfs/dbraw/zinc/67/48/14/779674814.db2.gz SZGQISUNCGGXLQ-SECBINFHSA-N 0 3 268.317 -2.034 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnccn1 ZINC001122840639 779675824 /nfs/dbraw/zinc/67/58/24/779675824.db2.gz RYAPFQGNBMOJKE-JTQLQIEISA-N 0 3 275.312 -1.066 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cnccn1 ZINC001122825968 779675934 /nfs/dbraw/zinc/67/59/34/779675934.db2.gz CFWJBMCHXAQICP-UHFFFAOYSA-N 0 3 261.285 -1.455 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)C1=COCCO1 ZINC001123019487 779676856 /nfs/dbraw/zinc/67/68/56/779676856.db2.gz LUIZICQCXCFBBN-UHFFFAOYSA-N 0 3 269.301 -1.117 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1CCCO1 ZINC001123128525 779680444 /nfs/dbraw/zinc/68/04/44/779680444.db2.gz VVBQLJOTEAFGRJ-SNVBAGLBSA-N 0 3 253.302 -1.379 20 30 CAEDHN Cc1cc(C(=O)NCCNCC(=O)NCC#N)no1 ZINC001123186500 779682531 /nfs/dbraw/zinc/68/25/31/779682531.db2.gz DRGSXEXRIGZYLO-UHFFFAOYSA-N 0 3 265.273 -1.058 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123242863 779682923 /nfs/dbraw/zinc/68/29/23/779682923.db2.gz VGDZIYQGFPFSJI-VIFPVBQESA-N 0 3 283.332 -1.853 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123257035 779683260 /nfs/dbraw/zinc/68/32/60/779683260.db2.gz FIHQZCVJIZSYAS-QMMMGPOBSA-N 0 3 269.305 -2.502 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123257052 779684708 /nfs/dbraw/zinc/68/47/08/779684708.db2.gz GMXGEXYCDCPMSB-UHFFFAOYSA-N 0 3 256.266 -3.000 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CSCC#N ZINC001123786938 779693128 /nfs/dbraw/zinc/69/31/28/779693128.db2.gz HLRYLHCUCYUNSB-UHFFFAOYSA-N 0 3 269.330 -1.411 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1COCCO1 ZINC001123869422 779695320 /nfs/dbraw/zinc/69/53/20/779695320.db2.gz HRLSCCOUVYXTKS-LLVKDONJSA-N 0 3 256.302 -1.243 20 30 CAEDHN COCC#CCNCCNC(=O)Cn1cnnn1 ZINC001123313825 779687297 /nfs/dbraw/zinc/68/72/97/779687297.db2.gz XUDKATCZPYFUPI-UHFFFAOYSA-N 0 3 252.278 -1.971 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123313792 779687424 /nfs/dbraw/zinc/68/74/24/779687424.db2.gz XABQPSWEZLRRIS-JTQLQIEISA-N 0 3 293.331 -1.834 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335201 779688244 /nfs/dbraw/zinc/68/82/44/779688244.db2.gz HSXQJXPGUQEGBB-VIFPVBQESA-N 0 3 279.304 -2.483 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123514863 779689506 /nfs/dbraw/zinc/68/95/06/779689506.db2.gz HYXCXCZGBXTWJI-UHFFFAOYSA-N 0 3 265.317 -1.109 20 30 CAEDHN Cc1c(C(=O)NCCNCC(=O)NCC#N)cnn1C ZINC001123592059 779690824 /nfs/dbraw/zinc/69/08/24/779690824.db2.gz HFHUQGJLNWJTML-UHFFFAOYSA-N 0 3 278.316 -1.312 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123660345 779691886 /nfs/dbraw/zinc/69/18/86/779691886.db2.gz XUNRMCACHCCZOS-UHFFFAOYSA-N 0 3 279.304 -1.986 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CCOC1 ZINC001124501384 779711562 /nfs/dbraw/zinc/71/15/62/779711562.db2.gz KIGZHHNFNJARFV-SNVBAGLBSA-N 0 3 253.302 -1.522 20 30 CAEDHN N#CCSCC(=O)NCCNCC(=O)NC(N)=O ZINC001123792270 779693083 /nfs/dbraw/zinc/69/30/83/779693083.db2.gz PYBZUXRVDQFEBN-UHFFFAOYSA-N 0 3 273.318 -1.856 20 30 CAEDHN N#CCSCC(=O)NCCN[C@H]1CCNC1=O ZINC001123792213 779693155 /nfs/dbraw/zinc/69/31/55/779693155.db2.gz NBGFRAFISWZUQF-QMMMGPOBSA-N 0 3 256.331 -1.163 20 30 CAEDHN C[C@@H](NCCNC(=O)CSCC#N)C(=O)NC(N)=O ZINC001123799456 779693247 /nfs/dbraw/zinc/69/32/47/779693247.db2.gz SJNGYWRNQGULDK-SSDOTTSWSA-N 0 3 287.345 -1.468 20 30 CAEDHN CCc1cc(C(=O)NCCNCC(=O)NCC#N)[nH]n1 ZINC001123856665 779695860 /nfs/dbraw/zinc/69/58/60/779695860.db2.gz DUUMGIWTBYWACB-UHFFFAOYSA-N 0 3 278.316 -1.069 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1COCCO1 ZINC001123890732 779697743 /nfs/dbraw/zinc/69/77/43/779697743.db2.gz BHMSCOBBYRTYNT-GHMZBOCLSA-N 0 3 283.328 -1.755 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1COCCO1 ZINC001123890780 779697805 /nfs/dbraw/zinc/69/78/05/779697805.db2.gz CKQFBPBXINBYLI-WDEREUQCSA-N 0 3 285.344 -1.202 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COCCO1 ZINC001123890733 779697968 /nfs/dbraw/zinc/69/79/68/779697968.db2.gz BHMSCOBBYRTYNT-MNOVXSKESA-N 0 3 283.328 -1.755 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn[nH]1 ZINC001123911323 779698397 /nfs/dbraw/zinc/69/83/97/779698397.db2.gz MAKOZAAXXYDAHX-SECBINFHSA-N 0 3 263.301 -1.133 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COCCO1 ZINC001123890734 779698473 /nfs/dbraw/zinc/69/84/73/779698473.db2.gz BHMSCOBBYRTYNT-QWRGUYRKSA-N 0 3 283.328 -1.755 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COCCO1 ZINC001123890778 779698551 /nfs/dbraw/zinc/69/85/51/779698551.db2.gz CKQFBPBXINBYLI-MNOVXSKESA-N 0 3 285.344 -1.202 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H](C)n1cccn1 ZINC001123917680 779698559 /nfs/dbraw/zinc/69/85/59/779698559.db2.gz FFHTYQVOXBBHBA-LLVKDONJSA-N 0 3 277.328 -1.101 20 30 CAEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123898236 779698593 /nfs/dbraw/zinc/69/85/93/779698593.db2.gz XWZGHBMQPLDDKW-UHFFFAOYSA-N 0 3 294.315 -1.259 20 30 CAEDHN C[C@@H](C(=O)NCCNCC(=O)NCC#N)n1cccn1 ZINC001123918160 779699385 /nfs/dbraw/zinc/69/93/85/779699385.db2.gz MCIWRCOWJJBYEF-JTQLQIEISA-N 0 3 278.316 -1.210 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn[nH]c1 ZINC001124077368 779702271 /nfs/dbraw/zinc/70/22/71/779702271.db2.gz BZMCDCBJOGGPQS-SECBINFHSA-N 0 3 263.301 -1.133 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)C[C@H]1CCCO1 ZINC001124033115 779702360 /nfs/dbraw/zinc/70/23/60/779702360.db2.gz KNGODPAPHGYTOI-SNVBAGLBSA-N 0 3 268.317 -1.099 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C1CC1 ZINC001124088575 779702827 /nfs/dbraw/zinc/70/28/27/779702827.db2.gz FHBWJEVGSBDMJD-JTQLQIEISA-N 0 3 294.355 -1.644 20 30 CAEDHN COCC#CCNCCNC(=O)CNC(=O)C1CC1 ZINC001124101377 779703199 /nfs/dbraw/zinc/70/31/99/779703199.db2.gz KBTQVPMOVNYMCS-UHFFFAOYSA-N 0 3 267.329 -1.132 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124085127 779703657 /nfs/dbraw/zinc/70/36/57/779703657.db2.gz XSZKBMIKAVEUGA-UHFFFAOYSA-N 0 3 280.328 -2.032 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]1OCC ZINC001124141506 779705251 /nfs/dbraw/zinc/70/52/51/779705251.db2.gz VMSYNTJXDPPDDF-QWRGUYRKSA-N 0 3 267.329 -1.133 20 30 CAEDHN Cc1cc(C(=O)NCCNCC(=O)NCC#N)nn1C ZINC001124277839 779708785 /nfs/dbraw/zinc/70/87/85/779708785.db2.gz OEHBWTXAJYCRPR-UHFFFAOYSA-N 0 3 278.316 -1.312 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OC ZINC001124297168 779708794 /nfs/dbraw/zinc/70/87/94/779708794.db2.gz GODZIPIFOLDOHY-ZJUUUORDSA-N 0 3 255.318 -1.135 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)OC ZINC001124297166 779708845 /nfs/dbraw/zinc/70/88/45/779708845.db2.gz GODZIPIFOLDOHY-UWVGGRQHSA-N 0 3 255.318 -1.135 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OC ZINC001124297167 779708914 /nfs/dbraw/zinc/70/89/14/779708914.db2.gz GODZIPIFOLDOHY-VHSXEESVSA-N 0 3 255.318 -1.135 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)Cn1cc(C)cn1 ZINC001124287781 779709336 /nfs/dbraw/zinc/70/93/36/779709336.db2.gz KTLNXBSSNRUOES-UHFFFAOYSA-N 0 3 277.328 -1.353 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCOC1 ZINC001124509312 779711414 /nfs/dbraw/zinc/71/14/14/779711414.db2.gz NKVBRDQJHKVHOZ-WDEREUQCSA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1ccnn1C ZINC001124545002 779711735 /nfs/dbraw/zinc/71/17/35/779711735.db2.gz XCAXPHNHQWSNJS-UHFFFAOYSA-N 0 3 263.301 -1.511 20 30 CAEDHN Cn1cc(CC(=O)NCCNCC(=O)NCC#N)cn1 ZINC001124608627 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/nfs/dbraw/zinc/84/34/91/779843491.db2.gz SVWVJTSKRPNXHK-NSHDSACASA-N 0 3 298.343 -1.472 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)COC[C@@H]1CCCO1 ZINC001153675203 779844163 /nfs/dbraw/zinc/84/41/63/779844163.db2.gz ZWPVEDKAWPNCKT-LBPRGKRZSA-N 0 3 297.355 -1.363 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153762223 779844820 /nfs/dbraw/zinc/84/48/20/779844820.db2.gz WOYUUPAYFLVSQU-UHFFFAOYSA-N 0 3 292.343 -1.797 20 30 CAEDHN CCn1nc(C)c(C(=O)NCCNCC(=O)NCC#N)n1 ZINC001153752821 779844961 /nfs/dbraw/zinc/84/49/61/779844961.db2.gz LRQUEFFRHDMUQL-UHFFFAOYSA-N 0 3 293.331 -1.434 20 30 CAEDHN CCc1cc(C(=O)NCCNCC(=O)NCC#N)nn1C ZINC001153726303 779845541 /nfs/dbraw/zinc/84/55/41/779845541.db2.gz CJBCETOUIFIMMJ-UHFFFAOYSA-N 0 3 292.343 -1.058 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153790050 779846299 /nfs/dbraw/zinc/84/62/99/779846299.db2.gz LULXCCJEKGZJFU-LLVKDONJSA-N 0 3 296.371 -1.411 20 30 CAEDHN CC(C)C[C@@H](C(N)=O)C(=O)NCCNCC(=O)NCC#N ZINC001153789680 779846977 /nfs/dbraw/zinc/84/69/77/779846977.db2.gz FDXFOXYUYIESHU-JTQLQIEISA-N 0 3 297.359 -1.520 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153790052 779847181 /nfs/dbraw/zinc/84/71/81/779847181.db2.gz LULXCCJEKGZJFU-NSHDSACASA-N 0 3 296.371 -1.411 20 30 CAEDHN C[C@@H](C(=O)NCCNCC(=O)NCC#N)N1CCOCC1 ZINC001153840439 779848630 /nfs/dbraw/zinc/84/86/30/779848630.db2.gz DTHBHDSIEOGZMT-NSHDSACASA-N 0 3 297.359 -1.947 20 30 CAEDHN CC#CCNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886989 779849169 /nfs/dbraw/zinc/84/91/69/779849169.db2.gz MPKHDOFOIHHQJG-SECBINFHSA-N 0 3 251.286 -1.232 20 30 CAEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155654542 779875103 /nfs/dbraw/zinc/87/51/03/779875103.db2.gz ROTYZNMDNJJYMW-PWSUYJOCSA-N 0 3 296.371 -1.174 20 30 CAEDHN C#CCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156967374 779892580 /nfs/dbraw/zinc/89/25/80/779892580.db2.gz RRZFJZBGYGGFOR-SNVBAGLBSA-N 0 3 275.374 -1.005 20 30 CAEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157109051 779895819 /nfs/dbraw/zinc/89/58/19/779895819.db2.gz HWCFBOPQXRENMF-SNVBAGLBSA-N 0 3 292.343 -1.163 20 30 CAEDHN CC1(C#N)CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001157694545 779910400 /nfs/dbraw/zinc/91/04/00/779910400.db2.gz UMAPLMQXXFMARV-SECBINFHSA-N 0 3 250.302 -1.311 20 30 CAEDHN CC1(C#N)CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001157694546 779910631 /nfs/dbraw/zinc/91/06/31/779910631.db2.gz UMAPLMQXXFMARV-VIFPVBQESA-N 0 3 250.302 -1.311 20 30 CAEDHN N#C[C@H]1CNCCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157981366 779922043 /nfs/dbraw/zinc/92/20/43/779922043.db2.gz CANAKBWXYABIRP-UWVGGRQHSA-N 0 3 265.317 -2.359 20 30 CAEDHN N#C[C@H]1CNCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001157982850 779922232 /nfs/dbraw/zinc/92/22/32/779922232.db2.gz SXFBERQYMYOZTI-QWRGUYRKSA-N 0 3 279.344 -1.350 20 30 CAEDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCNC[C@@H]1C#N ZINC001157981608 779922248 /nfs/dbraw/zinc/92/22/48/779922248.db2.gz DDRRPORNRUXTSM-IRWWLHRVSA-N 0 3 258.347 -1.594 20 30 CAEDHN Cn1cncc1C[C@H](N)C(=O)N1CCNC[C@@H]1C#N ZINC001157982067 779922301 /nfs/dbraw/zinc/92/23/01/779922301.db2.gz IHNAICRCMHIDPT-QWRGUYRKSA-N 0 3 262.317 -1.386 20 30 CAEDHN N#CCCN1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001160484140 779962452 /nfs/dbraw/zinc/96/24/52/779962452.db2.gz YTZHQZBKEYWGDU-GFCCVEGCSA-N 0 3 293.371 -1.625 20 30 CAEDHN N#Cc1nccnc1N1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001160635825 779969636 /nfs/dbraw/zinc/96/96/36/779969636.db2.gz DMYCXLCLBWFYBQ-VIFPVBQESA-N 0 3 275.316 -1.717 20 30 CAEDHN N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160640372 779970828 /nfs/dbraw/zinc/97/08/28/779970828.db2.gz ZVMPPTSRZJNVJR-UHFFFAOYSA-N 0 3 292.299 -1.469 20 30 CAEDHN Cn1cncc1C[C@H](N)C(=O)N1CCN[C@H](C#N)C1 ZINC001160650885 779973437 /nfs/dbraw/zinc/97/34/37/779973437.db2.gz HTGPULCCTRUDIH-KOLCDFICSA-N 0 3 262.317 -1.386 20 30 CAEDHN N#C[C@@H]1CN(C(=O)CN2CCCC[C@H](N)C2=O)CCN1 ZINC001160652780 779973830 /nfs/dbraw/zinc/97/38/30/779973830.db2.gz LNZCOODXXKAMPJ-MNOVXSKESA-N 0 3 279.344 -1.350 20 30 CAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001160879229 779984776 /nfs/dbraw/zinc/98/47/76/779984776.db2.gz QCBORLPQLOKFAL-CIUDSAMLSA-N 0 3 297.315 -2.555 20 30 CAEDHN C[S@](=O)CC[C@H](N)C(=O)N1CCO[C@H](C#N)C1 ZINC001160879691 779984830 /nfs/dbraw/zinc/98/48/30/779984830.db2.gz RZRSUOVBSRVCFL-NMIRZEMHSA-N 0 3 259.331 -1.167 20 30 CAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001160879231 779985131 /nfs/dbraw/zinc/98/51/31/779985131.db2.gz QCBORLPQLOKFAL-YIZRAAEISA-N 0 3 297.315 -2.555 20 30 CAEDHN N#C[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001160877768 779985157 /nfs/dbraw/zinc/98/51/57/779985157.db2.gz CAKQNQLGTVSAGG-VHSXEESVSA-N 0 3 266.301 -1.932 20 30 CAEDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCO[C@H](C#N)C1 ZINC001160879689 779985462 /nfs/dbraw/zinc/98/54/62/779985462.db2.gz RZRSUOVBSRVCFL-KSRUKNBBSA-N 0 3 259.331 -1.167 20 30 CAEDHN C[S@](=O)CC[C@H](N)C(=O)N1CCOC[C@H]1C#N ZINC001160933157 779987496 /nfs/dbraw/zinc/98/74/96/779987496.db2.gz IFDIQENTXBLMFW-NMIRZEMHSA-N 0 3 259.331 -1.167 20 30 CAEDHN N#C[C@@H]1COCCN1C(=O)[C@H](N)CCCNC(N)=O ZINC001160933938 779987868 /nfs/dbraw/zinc/98/78/68/779987868.db2.gz QYMJWLZDGUWUTL-RKDXNWHRSA-N 0 3 269.305 -1.487 20 30 CAEDHN CC#CC[NH2+]CCCNC(=O)c1c[n-]nc1S(N)(=O)=O ZINC001166333368 780090880 /nfs/dbraw/zinc/09/08/80/780090880.db2.gz PSRMHSDWLRXPFN-UHFFFAOYSA-N 0 3 299.356 -1.210 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)COC)C1 ZINC001206981013 780114385 /nfs/dbraw/zinc/11/43/85/780114385.db2.gz VPCNIVIRQUNIBK-LLVKDONJSA-N 0 3 267.329 -1.037 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099043 780114435 /nfs/dbraw/zinc/11/44/35/780114435.db2.gz CVRYWIXLIULYSQ-GFCCVEGCSA-N 0 3 294.355 -1.548 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099044 780115725 /nfs/dbraw/zinc/11/57/25/780115725.db2.gz CVRYWIXLIULYSQ-LBPRGKRZSA-N 0 3 294.355 -1.548 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259033 780117139 /nfs/dbraw/zinc/11/71/39/780117139.db2.gz VUCLNMRKMADRSE-SECBINFHSA-N 0 3 296.331 -2.125 20 30 CAEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207688480 780118432 /nfs/dbraw/zinc/11/84/32/780118432.db2.gz PPMIAPKBIOCARX-DTWKUNHWSA-N 0 3 281.316 -1.078 20 30 CAEDHN CC(=O)NCC(=O)N[C@@H](CNCC(=O)NCC#N)C1CC1 ZINC001276534768 780118672 /nfs/dbraw/zinc/11/86/72/780118672.db2.gz ANBNHENQDUTNOF-NSHDSACASA-N 0 3 295.343 -1.753 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724802 780120218 /nfs/dbraw/zinc/12/02/18/780120218.db2.gz DOIHDGCGJFGZFN-SECBINFHSA-N 0 3 281.316 -1.918 20 30 CAEDHN C#CCNC(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207870501 780120285 /nfs/dbraw/zinc/12/02/85/780120285.db2.gz ZXSSAXYRXKFNPO-SNVBAGLBSA-N 0 3 280.328 -1.808 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725956 780120701 /nfs/dbraw/zinc/12/07/01/780120701.db2.gz UTOLXNGHKTVEAV-QWRGUYRKSA-N 0 3 294.355 -1.420 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724804 780120755 /nfs/dbraw/zinc/12/07/55/780120755.db2.gz DOIHDGCGJFGZFN-VIFPVBQESA-N 0 3 281.316 -1.918 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725954 780120946 /nfs/dbraw/zinc/12/09/46/780120946.db2.gz UTOLXNGHKTVEAV-GHMZBOCLSA-N 0 3 294.355 -1.420 20 30 CAEDHN CNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001207889665 780121860 /nfs/dbraw/zinc/12/18/60/780121860.db2.gz OKLKLXWMFMINSZ-JTQLQIEISA-N 0 3 295.343 -1.657 20 30 CAEDHN CNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 ZINC001207889666 780122076 /nfs/dbraw/zinc/12/20/76/780122076.db2.gz OKLKLXWMFMINSZ-SNVBAGLBSA-N 0 3 295.343 -1.657 20 30 CAEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001208163997 780125404 /nfs/dbraw/zinc/12/54/04/780125404.db2.gz NCOCAWOCLRYTAX-NXEZZACHSA-N 0 3 290.389 -1.337 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366356 780133794 /nfs/dbraw/zinc/13/37/94/780133794.db2.gz QYTQQTFYZNQPEG-NXEZZACHSA-N 0 3 280.328 -1.810 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209367254 780133940 /nfs/dbraw/zinc/13/39/40/780133940.db2.gz ZWSVYVBLLDYCKZ-VHSXEESVSA-N 0 3 282.344 -1.257 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209367255 780134029 /nfs/dbraw/zinc/13/40/29/780134029.db2.gz ZWSVYVBLLDYCKZ-ZJUUUORDSA-N 0 3 282.344 -1.257 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001276647826 780134899 /nfs/dbraw/zinc/13/48/99/780134899.db2.gz AAKZNMMSVNYLMW-WPRPVWTQSA-N 0 3 282.344 -1.353 20 30 CAEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001209595167 780135619 /nfs/dbraw/zinc/13/56/19/780135619.db2.gz IWIPXKFLJHKZKY-NXEZZACHSA-N 0 3 290.327 -1.396 20 30 CAEDHN C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001210197996 780137726 /nfs/dbraw/zinc/13/77/26/780137726.db2.gz GNLGEWBDDUUNOS-SNVBAGLBSA-N 0 3 290.327 -1.252 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001210236524 780137782 /nfs/dbraw/zinc/13/77/82/780137782.db2.gz OERFICBXCQHPBF-SECBINFHSA-N 0 3 292.299 -1.096 20 30 CAEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211084695 780140625 /nfs/dbraw/zinc/14/06/25/780140625.db2.gz XDABUXFEAQDSCA-GHMZBOCLSA-N 0 3 287.385 -1.005 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214058951 780147714 /nfs/dbraw/zinc/14/77/14/780147714.db2.gz LVSRRCLTRWTSNJ-ZYHUDNBSSA-N 0 3 296.371 -1.139 20 30 CAEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214118198 780149689 /nfs/dbraw/zinc/14/96/89/780149689.db2.gz AWXFMXIHYXZBHX-NXEZZACHSA-N 0 3 295.343 -2.159 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214373666 780150918 /nfs/dbraw/zinc/15/09/18/780150918.db2.gz WYZVHIZCLHNMEL-GMTAPVOTSA-N 0 3 296.371 -1.011 20 30 CAEDHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)NCC#N ZINC001214375866 780150947 /nfs/dbraw/zinc/15/09/47/780150947.db2.gz XVGGGKQZAPIXFT-RKDXNWHRSA-N 0 3 281.316 -2.062 20 30 CAEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214605102 780153348 /nfs/dbraw/zinc/15/33/48/780153348.db2.gz VXHFYBAFEBDNKJ-GMTAPVOTSA-N 0 3 267.329 -1.054 20 30 CAEDHN COCC#CCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215441542 780156405 /nfs/dbraw/zinc/15/64/05/780156405.db2.gz VMCRTFUGRWYJLH-NXEZZACHSA-N 0 3 253.302 -1.442 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@@H]1CN(C(C)=O)CCO1 ZINC001276748581 780158893 /nfs/dbraw/zinc/15/88/93/780158893.db2.gz LZCNWFIGCINWLK-PWSUYJOCSA-N 0 3 267.329 -1.039 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001276748579 780159065 /nfs/dbraw/zinc/15/90/65/780159065.db2.gz LZCNWFIGCINWLK-CMPLNLGQSA-N 0 3 267.329 -1.039 20 30 CAEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001276747227 780159924 /nfs/dbraw/zinc/15/99/24/780159924.db2.gz DQOGWPIANWCOHO-FIQHERPVSA-N 0 3 289.335 -1.034 20 30 CAEDHN N#Cc1nc[nH]c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218594147 780173153 /nfs/dbraw/zinc/17/31/53/780173153.db2.gz HOTKAYGKDJMOCG-MRVPVSSYSA-N 0 3 262.273 -1.450 20 30 CAEDHN C#Cc1cnc(NC(=O)[C@H]2COC3(CNC3)CN2)c(C#C)n1 ZINC001218657587 780179437 /nfs/dbraw/zinc/17/94/37/780179437.db2.gz ORUJZAFDDKVFGO-GFCCVEGCSA-N 0 3 297.318 -1.292 20 30 CAEDHN N#Cc1c(N)nn(C(=O)[C@@H](N)Cc2cnc[nH]2)c1N ZINC001218659502 780179538 /nfs/dbraw/zinc/17/95/38/780179538.db2.gz HUPKLOQUHGRYHY-ZETCQYMHSA-N 0 3 260.261 -1.148 20 30 CAEDHN N#Cc1c(N)nn(C(=O)CN2CCCC[C@H](N)C2=O)c1N ZINC001218660496 780179549 /nfs/dbraw/zinc/17/95/49/780179549.db2.gz PLTPFRUJLIPZMY-QMMMGPOBSA-N 0 3 291.315 -1.101 20 30 CAEDHN N#Cc1c(N)nn(C(=O)[C@H](N)Cc2cnc[nH]2)c1N ZINC001218659501 780180049 /nfs/dbraw/zinc/18/00/49/780180049.db2.gz HUPKLOQUHGRYHY-SSDOTTSWSA-N 0 3 260.261 -1.148 20 30 CAEDHN Cn1cc(NC(=O)[C@H]2COC3(CNC3)CN2)c(C#N)n1 ZINC001218667434 780180237 /nfs/dbraw/zinc/18/02/37/780180237.db2.gz GEWMEURTVWJMCO-SNVBAGLBSA-N 0 3 276.300 -1.439 20 30 CAEDHN C#Cc1cnc(NC(=O)[C@@H]2CNCCN2)c(C#C)n1 ZINC001218657133 780180284 /nfs/dbraw/zinc/18/02/84/780180284.db2.gz BCMPMTVXSQBIKT-NSHDSACASA-N 0 3 255.281 -1.061 20 30 CAEDHN N#Cc1c(N)nn(C(=O)[C@H]2COC3(CNC3)CN2)c1N ZINC001218659905 780180389 /nfs/dbraw/zinc/18/03/89/780180389.db2.gz MIDPKDSOUAJBCB-SSDOTTSWSA-N 0 3 277.288 -2.110 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001219487136 780222819 /nfs/dbraw/zinc/22/28/19/780222819.db2.gz FAKWSNYWICBAHH-NEPJUHHUSA-N 0 3 297.355 -1.676 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219492586 780223799 /nfs/dbraw/zinc/22/37/99/780223799.db2.gz RPYSKMQVKYRAIF-MNOVXSKESA-N 0 3 267.329 -1.304 20 30 CAEDHN N#CC1(NC(=O)[C@H]2COC3(CNC3)CN2)CCC1 ZINC001219606140 780236501 /nfs/dbraw/zinc/23/65/01/780236501.db2.gz GDNVRHIODUSJIW-SECBINFHSA-N 0 3 250.302 -1.121 20 30 CAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C#N)CCC1 ZINC001219607962 780238864 /nfs/dbraw/zinc/23/88/64/780238864.db2.gz JIVFSBAIIYCPAN-YUMQZZPRSA-N 0 3 281.316 -1.744 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675389 780247569 /nfs/dbraw/zinc/24/75/69/780247569.db2.gz 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/nfs/dbraw/zinc/34/61/37/780346137.db2.gz RWHLTSOFQKRBRL-OLZOCXBDSA-N 0 3 292.339 -1.237 20 30 CAEDHN C=CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220484795 780353953 /nfs/dbraw/zinc/35/39/53/780353953.db2.gz USWLGSJZCXGIMC-IUCAKERBSA-N 0 3 270.333 -1.224 20 30 CAEDHN CCOC(=O)[C@H](C#N)NC(=O)[C@H](N)CCCNC(N)=O ZINC001220498745 780355331 /nfs/dbraw/zinc/35/53/31/780355331.db2.gz KXJKMIUXUJZRAD-SFYZADRCSA-N 0 3 285.304 -1.666 20 30 CAEDHN CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220499095 780355618 /nfs/dbraw/zinc/35/56/18/780355618.db2.gz RFEORYWPGURIOO-PTJHWVCESA-N 0 3 275.330 -1.346 20 30 CAEDHN CCOC(=O)[C@@H](C#N)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220499059 780355657 /nfs/dbraw/zinc/35/56/57/780355657.db2.gz PPIZYKNSRUSDDF-VHSXEESVSA-N 0 3 296.327 -1.102 20 30 CAEDHN CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220499172 780355847 /nfs/dbraw/zinc/35/58/47/780355847.db2.gz TXNISKFDJFNQSA-IUCAKERBSA-N 0 3 282.300 -2.112 20 30 CAEDHN 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ZINC001283654981 780855939 /nfs/dbraw/zinc/85/59/39/780855939.db2.gz TYDMBQDAIJSIIM-LBPRGKRZSA-N 0 3 280.372 -1.122 20 30 CAEDHN C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)NCC(=O)NCC#N ZINC001283652813 780856108 /nfs/dbraw/zinc/85/61/08/780856108.db2.gz MEYIWMSNLGJQDQ-NXEZZACHSA-N 0 3 295.343 -1.801 20 30 CAEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001283664622 780856132 /nfs/dbraw/zinc/85/61/32/780856132.db2.gz LXOMWBSMRTYCOB-MNOVXSKESA-N 0 3 282.344 -1.246 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001283664715 780857024 /nfs/dbraw/zinc/85/70/24/780857024.db2.gz OCDIYLVHNNRHMF-VHSXEESVSA-N 0 3 295.343 -2.146 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001283664714 780857146 /nfs/dbraw/zinc/85/71/46/780857146.db2.gz OCDIYLVHNNRHMF-UWVGGRQHSA-N 0 3 295.343 -2.146 20 30 CAEDHN COCC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001283664624 780857344 /nfs/dbraw/zinc/85/73/44/780857344.db2.gz LXOMWBSMRTYCOB-WDEREUQCSA-N 0 3 282.344 -1.246 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219325 781352160 /nfs/dbraw/zinc/35/21/60/781352160.db2.gz OTLPSFPHCNPYFP-SNVBAGLBSA-N 0 3 280.328 -1.890 20 30 CAEDHN CNC(=O)C1(C(=O)NCCNCC(=O)NCC#N)CC1 ZINC001135259053 781353858 /nfs/dbraw/zinc/35/38/58/781353858.db2.gz RTBOBSPUIWBQPE-UHFFFAOYSA-N 0 3 281.316 -2.142 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222277 781353995 /nfs/dbraw/zinc/35/39/95/781353995.db2.gz GEGRZJOXIIVONP-SNVBAGLBSA-N 0 3 282.344 -1.337 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135257249 781355334 /nfs/dbraw/zinc/35/53/34/781355334.db2.gz LUAAACDVXCAMCO-UHFFFAOYSA-N 0 3 282.344 -1.479 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C1(C(=O)NC)CC1 ZINC001135263235 781355804 /nfs/dbraw/zinc/35/58/04/781355804.db2.gz OHLXPOPTEAOJQG-SNVBAGLBSA-N 0 3 296.371 -1.091 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135272813 781357029 /nfs/dbraw/zinc/35/70/29/781357029.db2.gz CBZSKGZNVMDUEI-UHFFFAOYSA-N 0 3 296.327 -1.953 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135288197 781360057 /nfs/dbraw/zinc/36/00/57/781360057.db2.gz GTVWJAQOKUXMEO-UHFFFAOYSA-N 0 3 266.305 -1.563 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)c2cnn(C)n2)C1=O ZINC001135284327 781360637 /nfs/dbraw/zinc/36/06/37/781360637.db2.gz LPLRDFFEVAXLIQ-SNVBAGLBSA-N 0 3 292.343 -1.079 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)COc1cccnc1 ZINC001135340874 781361835 /nfs/dbraw/zinc/36/18/35/781361835.db2.gz LEBJCXKARCHWRM-UHFFFAOYSA-N 0 3 291.311 -1.194 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)C(C)(C)NC(C)=O ZINC001135381107 781364806 /nfs/dbraw/zinc/36/48/06/781364806.db2.gz OBTZNZVPZMUXLH-UHFFFAOYSA-N 0 3 284.360 -1.091 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135440939 781367712 /nfs/dbraw/zinc/36/77/12/781367712.db2.gz VOUDQLGMKPYFNF-UHFFFAOYSA-N 0 3 295.299 -3.007 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135456701 781368339 /nfs/dbraw/zinc/36/83/39/781368339.db2.gz DCWYJRVWGOQVFX-UHFFFAOYSA-N 0 3 296.287 -3.116 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1ccncn1 ZINC001135538920 781373508 /nfs/dbraw/zinc/37/35/08/781373508.db2.gz ADWIHTZSSSNRSG-UHFFFAOYSA-N 0 3 261.285 -1.455 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnon1 ZINC001135567346 781376882 /nfs/dbraw/zinc/37/68/82/781376882.db2.gz PKGCCARDPXSLBC-MRVPVSSYSA-N 0 3 265.273 -1.473 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccnn1 ZINC001135632057 781378832 /nfs/dbraw/zinc/37/88/32/781378832.db2.gz TXNHUGQPPVQKAY-SNVBAGLBSA-N 0 3 275.312 -1.066 20 30 CAEDHN CCc1cc(C(=O)NCCNCC(=O)NCC#N)n(C)n1 ZINC001135685384 781381794 /nfs/dbraw/zinc/38/17/94/781381794.db2.gz SVUYQMZVQIXEBC-UHFFFAOYSA-N 0 3 292.343 -1.058 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135684283 781382402 /nfs/dbraw/zinc/38/24/02/781382402.db2.gz FDTWWZFKRUAZCT-UHFFFAOYSA-N 0 3 281.320 -1.929 20 30 CAEDHN C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001135780942 781382849 /nfs/dbraw/zinc/38/28/49/781382849.db2.gz KPBMQVUJKPATPJ-VHSXEESVSA-N 0 3 268.317 -1.243 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ncc[nH]1 ZINC001135760151 781383308 /nfs/dbraw/zinc/38/33/08/781383308.db2.gz JITYNUCPHFBTSR-SNVBAGLBSA-N 0 3 277.328 -1.204 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816333 781388297 /nfs/dbraw/zinc/38/82/97/781388297.db2.gz QIXAGUGWLMGJQB-UHFFFAOYSA-N 0 3 292.299 -1.927 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cn(CCC)nn1 ZINC001135965930 781390333 /nfs/dbraw/zinc/39/03/33/781390333.db2.gz XFXOWGQFQFNSBO-UHFFFAOYSA-N 0 3 292.343 -1.243 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cn(C(C)C)nn1 ZINC001135981761 781391973 /nfs/dbraw/zinc/39/19/73/781391973.db2.gz ZRKQQTGFXPZXHB-UHFFFAOYSA-N 0 3 292.343 -1.072 20 30 CAEDHN COCc1nc(C(=O)NCCNCC(=O)NCC#N)co1 ZINC001136030658 781393084 /nfs/dbraw/zinc/39/30/84/781393084.db2.gz PKJXMXDEGILTSN-UHFFFAOYSA-N 0 3 295.299 -1.220 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090526940 781394841 /nfs/dbraw/zinc/39/48/41/781394841.db2.gz VSINCOSWDBQJAU-PWSUYJOCSA-N 0 3 290.323 -1.042 20 30 CAEDHN C#CCN1CC[C@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001090554120 781409468 /nfs/dbraw/zinc/40/94/68/781409468.db2.gz VQKVYCHLFSVKIV-ONGXEEELSA-N 0 3 278.312 -1.076 20 30 CAEDHN C#CCN1CC[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001090554118 781409508 /nfs/dbraw/zinc/40/95/08/781409508.db2.gz VQKVYCHLFSVKIV-KOLCDFICSA-N 0 3 278.312 -1.076 20 30 CAEDHN C#CCN1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](O)C1 ZINC001090706514 781424560 /nfs/dbraw/zinc/42/45/60/781424560.db2.gz JDKOGINHMAPPSP-NXEZZACHSA-N 0 3 263.301 -1.468 20 30 CAEDHN C#CCN1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001090706517 781424638 /nfs/dbraw/zinc/42/46/38/781424638.db2.gz JDKOGINHMAPPSP-ZJUUUORDSA-N 0 3 263.301 -1.468 20 30 CAEDHN C#CCN1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H](O)C1 ZINC001090706516 781424971 /nfs/dbraw/zinc/42/49/71/781424971.db2.gz JDKOGINHMAPPSP-VHSXEESVSA-N 0 3 263.301 -1.468 20 30 CAEDHN CC#CCN1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](O)C1 ZINC001090715263 781425169 /nfs/dbraw/zinc/42/51/69/781425169.db2.gz 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CNC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)NCC#N ZINC001319467771 884330952 /nfs/dbraw/zinc/33/09/52/884330952.db2.gz VYQNALVCPLVUPH-SECBINFHSA-N 0 3 298.347 -2.008 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001319453065 884331275 /nfs/dbraw/zinc/33/12/75/884331275.db2.gz DUHGEAKCSXQCEK-UWVGGRQHSA-N 0 3 255.318 -1.054 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001319452873 884332365 /nfs/dbraw/zinc/33/23/65/884332365.db2.gz NKJWBQLNQYGOAJ-JTQLQIEISA-N 0 3 292.343 -1.385 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C(N)=O ZINC001319523841 884333619 /nfs/dbraw/zinc/33/36/19/884333619.db2.gz CDMIORKDDRCHFO-BDAKNGLRSA-N 0 3 268.317 -1.954 20 30 CAEDHN C#CCN1CCC(C(=O)N[C@H](COC)C(N)=O)CC1 ZINC001319638207 884346138 /nfs/dbraw/zinc/34/61/38/884346138.db2.gz RLBFMRQCIFOYDU-LLVKDONJSA-N 0 3 267.329 -1.052 20 30 CAEDHN C#CCNC(=O)CN[C@H](CNC(=O)CC(N)=O)C(C)C ZINC001319906369 884360995 /nfs/dbraw/zinc/36/09/95/884360995.db2.gz OAWBQAGNVZDMPU-SNVBAGLBSA-N 0 3 282.344 -1.658 20 30 CAEDHN C=CCN1CC[C@@H](N[C@@H](CNC(=O)C(N)=O)C(C)C)C1=O ZINC001319943674 884362551 /nfs/dbraw/zinc/36/25/51/884362551.db2.gz KSSZSMMSDRGKCC-MNOVXSKESA-N 0 3 296.371 -1.011 20 30 CAEDHN C=CCN1CC[C@H](N[C@@H](CNC(=O)C(N)=O)C(C)C)C1=O ZINC001319943676 884364571 /nfs/dbraw/zinc/36/45/71/884364571.db2.gz KSSZSMMSDRGKCC-QWRGUYRKSA-N 0 3 296.371 -1.011 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001320184016 884378043 /nfs/dbraw/zinc/37/80/43/884378043.db2.gz DALQXTCQGODNOB-NSHDSACASA-N 0 3 295.343 -1.597 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccnc1 ZINC001320187512 884381013 /nfs/dbraw/zinc/38/10/13/884381013.db2.gz LAOIJURXFJWPLN-LLVKDONJSA-N 0 3 291.311 -1.598 20 30 CAEDHN CC(F)(F)C(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001320190597 884381630 /nfs/dbraw/zinc/38/16/30/884381630.db2.gz ZDUJMLCQJIKSNT-ZETCQYMHSA-N 0 3 278.259 -1.652 20 30 CAEDHN C=CCN1CC[C@@H](NC[C@@H](O)CNC(C)=O)C1=O ZINC001320188112 884381303 /nfs/dbraw/zinc/38/13/03/884381303.db2.gz MQTFHAXBKDXXIX-WDEREUQCSA-N 0 3 255.318 -1.140 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001320188328 884382862 /nfs/dbraw/zinc/38/28/62/884382862.db2.gz RITXMCRLSMNBKQ-SNVBAGLBSA-N 0 3 297.311 -2.309 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001320201686 884384450 /nfs/dbraw/zinc/38/44/50/884384450.db2.gz ITJIQUDFVBZMPB-VHSXEESVSA-N 0 3 284.316 -2.271 20 30 CAEDHN CC#CCNC[C@@H](O)CNC(=O)CCCS(C)(=O)=O ZINC001320286604 884411320 /nfs/dbraw/zinc/41/13/20/884411320.db2.gz MIYBFXSAXATCTD-LLVKDONJSA-N 0 3 290.385 -1.099 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)C1CC=CC1 ZINC001320202677 884386704 /nfs/dbraw/zinc/38/67/04/884386704.db2.gz QBUGBHGEHVEJGR-LBPRGKRZSA-N 0 3 279.340 -1.231 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1cocn1 ZINC001320206016 884388810 /nfs/dbraw/zinc/38/88/10/884388810.db2.gz XAPZBHMFRZJSHP-SECBINFHSA-N 0 3 282.300 -1.343 20 30 CAEDHN C#CCCCC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001320216710 884388720 /nfs/dbraw/zinc/38/87/20/884388720.db2.gz YMNFOXBURXEDQM-UWVGGRQHSA-N 0 3 255.318 -1.270 20 30 CAEDHN CC(C)(O)CC(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001320213180 884389016 /nfs/dbraw/zinc/38/90/16/884389016.db2.gz FIOVETOORYOFKF-VIFPVBQESA-N 0 3 286.332 -2.146 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNCC#CCOC ZINC001320217078 884389176 /nfs/dbraw/zinc/38/91/76/884389176.db2.gz MWDSMPFAVSAUDI-STQMWFEESA-N 0 3 282.340 -1.259 20 30 CAEDHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)NCC#N)co1 ZINC001320214509 884389257 /nfs/dbraw/zinc/38/92/57/884389257.db2.gz NRUSQBPPUNAEJJ-NSHDSACASA-N 0 3 294.311 -1.092 20 30 CAEDHN C#CCCCC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001320216774 884392643 /nfs/dbraw/zinc/39/26/43/884392643.db2.gz YMNFOXBURXEDQM-ZJUUUORDSA-N 0 3 255.318 -1.270 20 30 CAEDHN Cn1cnc(C(=O)NC[C@H](O)CNCC(=O)NCC#N)c1 ZINC001320218581 884395834 /nfs/dbraw/zinc/39/58/34/884395834.db2.gz WMZBQVUURSWQOS-SECBINFHSA-N 0 3 294.315 -2.260 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001320218001 884397033 /nfs/dbraw/zinc/39/70/33/884397033.db2.gz QPPCTEOIZJXGHH-SECBINFHSA-N 0 3 279.300 -2.161 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](F)CC ZINC001320257146 884401559 /nfs/dbraw/zinc/40/15/59/884401559.db2.gz KUSPUJYDVYVDLQ-UWVGGRQHSA-N 0 3 273.308 -1.449 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001320255963 884401791 /nfs/dbraw/zinc/40/17/91/884401791.db2.gz CBDBLQVJEGTWHJ-QWRGUYRKSA-N 0 3 283.328 -2.161 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001320260227 884402150 /nfs/dbraw/zinc/40/21/50/884402150.db2.gz TXGROEGPNPHTBN-WDEREUQCSA-N 0 3 285.344 -1.786 20 30 CAEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001320256636 884403541 /nfs/dbraw/zinc/40/35/41/884403541.db2.gz IHGIELKETFEDRF-GUBZILKMSA-N 0 3 268.317 -1.651 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](F)CC ZINC001320257145 884403650 /nfs/dbraw/zinc/40/36/50/884403650.db2.gz KUSPUJYDVYVDLQ-NXEZZACHSA-N 0 3 273.308 -1.449 20 30 CAEDHN C#Cc1cncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001320271146 884404648 /nfs/dbraw/zinc/40/46/48/884404648.db2.gz BOCRQQFADCGAND-NSHDSACASA-N 0 3 276.296 -1.772 20 30 CAEDHN N#Cc1ccc(CNC[C@H](O)CNC(=O)C(N)=O)s1 ZINC001320272154 884408845 /nfs/dbraw/zinc/40/88/45/884408845.db2.gz VLVCNIZWHYQWDZ-ZETCQYMHSA-N 0 3 282.325 -1.328 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)c1cccnn1 ZINC001320293792 884410315 /nfs/dbraw/zinc/41/03/15/884410315.db2.gz ZPHWCTNNBKXRBK-NSHDSACASA-N 0 3 278.312 -1.193 20 30 CAEDHN C#CCNCCN(CC)C(=O)CNS(=O)(=O)NC ZINC001320801302 884448063 /nfs/dbraw/zinc/44/80/63/884448063.db2.gz GYSLBCQXRFWBLU-UHFFFAOYSA-N 0 3 276.362 -1.889 20 30 CAEDHN C#CCNC/C=C\CNC(=O)CCS(=O)(=O)NC ZINC001321056645 884464397 /nfs/dbraw/zinc/46/43/97/884464397.db2.gz IKCQKSDNVITHFV-PLNGDYQASA-N 0 3 273.358 -1.179 20 30 CAEDHN C#CCNC/C=C/CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001321248320 884480334 /nfs/dbraw/zinc/48/03/34/884480334.db2.gz AYVGGSCKXQTNBZ-MJKAUQOVSA-N 0 3 265.313 -1.086 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1cc[n+]([O-])cc1 ZINC001321455191 884492551 /nfs/dbraw/zinc/49/25/51/884492551.db2.gz LCTQCCDZSRAUCP-SNVBAGLBSA-N 0 3 291.311 -1.332 20 30 CAEDHN C#CCNC/C=C\CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001321392077 884494248 /nfs/dbraw/zinc/49/42/48/884494248.db2.gz KSBGUMANMUSUJD-PLNGDYQASA-N 0 3 276.296 -1.005 20 30 CAEDHN C#CCNC(=O)CNC/C=C\CNC(=O)Cn1ccnc1 ZINC001321431577 884494404 /nfs/dbraw/zinc/49/44/04/884494404.db2.gz GXGDXFKRGIQQOQ-ARJAWSKDSA-N 0 3 289.339 -1.106 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001321468379 884495490 /nfs/dbraw/zinc/49/54/90/884495490.db2.gz MKIBJWKRJGSONC-GMTAPVOTSA-N 0 3 294.355 -1.503 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)C[C@@H]1COC(=O)C1 ZINC001321489687 884495970 /nfs/dbraw/zinc/49/59/70/884495970.db2.gz VODOWSRZHDIDEX-ZJUUUORDSA-N 0 3 296.327 -1.326 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1ccc(=O)[nH]n1 ZINC001321455703 884496305 /nfs/dbraw/zinc/49/63/05/884496305.db2.gz UAYGPCSIANQQIL-MRVPVSSYSA-N 0 3 292.299 -1.470 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001321455549 884496797 /nfs/dbraw/zinc/49/67/97/884496797.db2.gz RZROVYXVKQVGEB-ZJUUUORDSA-N 0 3 293.331 -2.095 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1COC(=O)C1 ZINC001321488495 884497071 /nfs/dbraw/zinc/49/70/71/884497071.db2.gz LGKCLTWGROOSQM-GHMZBOCLSA-N 0 3 295.339 -1.217 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)C[C@H]1COC(=O)C1 ZINC001321489683 884497284 /nfs/dbraw/zinc/49/72/84/884497284.db2.gz VODOWSRZHDIDEX-NXEZZACHSA-N 0 3 296.327 -1.326 20 30 CAEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001321514123 884499799 /nfs/dbraw/zinc/49/97/99/884499799.db2.gz MGXVRRDXCFPAJL-NXEZZACHSA-N 0 3 298.343 -1.425 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001321532436 884501368 /nfs/dbraw/zinc/50/13/68/884501368.db2.gz GVLTVQOGDFYZHT-GHMZBOCLSA-N 0 3 294.355 -1.692 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001321637368 884505869 /nfs/dbraw/zinc/50/58/69/884505869.db2.gz NUPKQPVZVZUSTE-YGRLFVJLSA-N 0 3 294.355 -1.501 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001321739066 884513234 /nfs/dbraw/zinc/51/32/34/884513234.db2.gz AXOVGARGMCNBKG-SNVBAGLBSA-N 0 3 277.328 -1.123 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)CN1CCCC1=O ZINC001321778849 884515528 /nfs/dbraw/zinc/51/55/28/884515528.db2.gz LHMDRLMODJKNRB-JTQLQIEISA-N 0 3 295.343 -1.657 20 30 CAEDHN C=CCOCC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001321800747 884520200 /nfs/dbraw/zinc/52/02/00/884520200.db2.gz KAWQBLKJTCSXOA-QMMMGPOBSA-N 0 3 272.305 -1.522 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)c1nccnc1N ZINC001321813083 884520542 /nfs/dbraw/zinc/52/05/42/884520542.db2.gz CRANLAFVOCJTHW-VIFPVBQESA-N 0 3 290.327 -1.484 20 30 CAEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001321842115 884524073 /nfs/dbraw/zinc/52/40/73/884524073.db2.gz LSONAXJCKGNNBR-VHSXEESVSA-N 0 3 295.343 -1.259 20 30 CAEDHN C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001321887361 884525954 /nfs/dbraw/zinc/52/59/54/884525954.db2.gz SPVBVKMEBXLGFP-VIFPVBQESA-N 0 3 291.311 -1.361 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@H]1CCCC(=O)N1 ZINC001321886808 884526280 /nfs/dbraw/zinc/52/62/80/884526280.db2.gz MVNFVNGGOAVTIB-VHSXEESVSA-N 0 3 295.343 -1.611 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@@]1(F)CCOC1 ZINC001321958835 884529117 /nfs/dbraw/zinc/52/91/17/884529117.db2.gz RWVIPLXJUQAJIK-JOYOIKCWSA-N 0 3 286.307 -1.151 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001321957843 884530149 /nfs/dbraw/zinc/53/01/49/884530149.db2.gz UPPJUCKFICOFOX-IUCAKERBSA-N 0 3 295.347 -1.391 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001321978414 884533414 /nfs/dbraw/zinc/53/34/14/884533414.db2.gz NUPKQPVZVZUSTE-HZMBPMFUSA-N 0 3 294.355 -1.501 20 30 CAEDHN C=CCN(C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001322161485 884541067 /nfs/dbraw/zinc/54/10/67/884541067.db2.gz UZYWLGHFSFDINK-SECBINFHSA-N 0 3 280.332 -1.001 20 30 CAEDHN 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C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)C1CC1 ZINC001374591006 887805507 /nfs/dbraw/zinc/80/55/07/887805507.db2.gz ORJYDBYIMRHUHX-ONGXEEELSA-N 0 3 282.344 -1.166 20 30 CAEDHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771307 888173037 /nfs/dbraw/zinc/17/30/37/888173037.db2.gz QYXLQUNNJAVCLP-SCZZXKLOSA-N 0 3 293.327 -1.217 20 30 CAEDHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771308 888173863 /nfs/dbraw/zinc/17/38/63/888173863.db2.gz QYXLQUNNJAVCLP-WCBMZHEXSA-N 0 3 293.327 -1.217 20 30 CAEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001382382891 888343127 /nfs/dbraw/zinc/34/31/27/888343127.db2.gz BTSVVDCGQJCOBN-NXEZZACHSA-N 0 3 270.333 -1.357 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001389559487 888554345 /nfs/dbraw/zinc/55/43/45/888554345.db2.gz JZUNCJNSKTYTLR-VXNVDRBHSA-N 0 3 281.316 -1.175 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001389559475 888554804 /nfs/dbraw/zinc/55/48/04/888554804.db2.gz 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/nfs/dbraw/zinc/24/50/18/889245018.db2.gz ABPFTODIWABVQO-VHSXEESVSA-N 0 3 270.333 -1.309 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC1CC1 ZINC001406197941 889480872 /nfs/dbraw/zinc/48/08/72/889480872.db2.gz AMGDSFUKGYJLIH-ONGXEEELSA-N 0 3 282.344 -1.261 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCC1CC1 ZINC001406197927 889481392 /nfs/dbraw/zinc/48/13/92/889481392.db2.gz AMGDSFUKGYJLIH-MWLCHTKSSA-N 0 3 282.344 -1.261 20 30 CAEDHN N#Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c[nH]1 ZINC001406206551 889484726 /nfs/dbraw/zinc/48/47/26/889484726.db2.gz GKOVHFSWCTUQRF-GHMZBOCLSA-N 0 3 291.311 -1.545 20 30 CAEDHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001406208288 889484807 /nfs/dbraw/zinc/48/48/07/889484807.db2.gz IFAQDOSZWRTHHK-NXEZZACHSA-N 0 3 270.333 -1.263 20 30 CAEDHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001406211760 889485410 /nfs/dbraw/zinc/48/54/10/889485410.db2.gz KRRUQILSUOTZGM-KCJUWKMLSA-N 0 3 293.327 -1.299 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)n1 ZINC001412933467 889912554 /nfs/dbraw/zinc/91/25/54/889912554.db2.gz VEJYWRSCRPAKMJ-GHMZBOCLSA-N 0 3 290.327 -1.183 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)n1 ZINC001412933471 889913629 /nfs/dbraw/zinc/91/36/29/889913629.db2.gz VEJYWRSCRPAKMJ-QWRGUYRKSA-N 0 3 290.327 -1.183 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)n1 ZINC001412933469 889914622 /nfs/dbraw/zinc/91/46/22/889914622.db2.gz VEJYWRSCRPAKMJ-MNOVXSKESA-N 0 3 290.327 -1.183 20 30 CAEDHN N#Cc1ncn(CC(=O)N2CC(N[C@H]3CCOC3)C2)n1 ZINC001413679345 890004630 /nfs/dbraw/zinc/00/46/30/890004630.db2.gz AGBUPTOPAIAKKS-VIFPVBQESA-N 0 3 276.300 -1.261 20 30 CAEDHN CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001420100912 890382317 /nfs/dbraw/zinc/38/23/17/890382317.db2.gz IJJIMBUPYKCRCF-WDEREUQCSA-N 0 3 284.360 -1.015 20 30 CAEDHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420100837 890383883 /nfs/dbraw/zinc/38/38/83/890383883.db2.gz HQKHATFOLNOLFS-VIFPVBQESA-N 0 3 279.300 -1.687 20 30 CAEDHN CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)C#N ZINC001420100893 890384810 /nfs/dbraw/zinc/38/48/10/890384810.db2.gz IJJIMBUPYKCRCF-MNOVXSKESA-N 0 3 284.360 -1.015 20 30 CAEDHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117189 890391721 /nfs/dbraw/zinc/39/17/21/890391721.db2.gz SPBZMPHTKSABRP-SCZZXKLOSA-N 0 3 293.327 -1.299 20 30 CAEDHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117217 890396151 /nfs/dbraw/zinc/39/61/51/890396151.db2.gz SPBZMPHTKSABRP-WPRPVWTQSA-N 0 3 293.327 -1.299 20 30 CAEDHN C[C@@H](C#N)C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001421635224 890520039 /nfs/dbraw/zinc/52/00/39/890520039.db2.gz LHJYKOKNMYCMRX-QWRGUYRKSA-N 0 3 282.344 -1.165 20 30 CAEDHN N#Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1 ZINC001422288374 890569389 /nfs/dbraw/zinc/56/93/89/890569389.db2.gz POISDQMANFHZGH-UWVGGRQHSA-N 0 3 291.311 -1.545 20 30 CAEDHN N#Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001422288368 890569608 /nfs/dbraw/zinc/56/96/08/890569608.db2.gz POISDQMANFHZGH-NXEZZACHSA-N 0 3 291.311 -1.545 20 30 CAEDHN N#Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1 ZINC001422288383 890570209 /nfs/dbraw/zinc/57/02/09/890570209.db2.gz POISDQMANFHZGH-ZJUUUORDSA-N 0 3 291.311 -1.545 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001423189331 890635969 /nfs/dbraw/zinc/63/59/69/890635969.db2.gz KJZMIJLHYCLOAF-VHSXEESVSA-N 0 3 283.332 -1.762 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@@H](CO)NCCN1CCCC1=O ZINC001423187328 890636464 /nfs/dbraw/zinc/63/64/64/890636464.db2.gz DGZDYVZKMWYVIB-QWRGUYRKSA-N 0 3 282.344 -1.165 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@H](CO)NCCN1CCCC1=O ZINC001423187327 890636505 /nfs/dbraw/zinc/63/65/05/890636505.db2.gz DGZDYVZKMWYVIB-MNOVXSKESA-N 0 3 282.344 -1.165 20 30 CAEDHN C[C@@H](C#N)C(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001424066757 890720193 /nfs/dbraw/zinc/72/01/93/890720193.db2.gz KJFQQPCZBXGIRF-QWRGUYRKSA-N 0 3 282.344 -1.213 20 30 CAEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001425983987 890841936 /nfs/dbraw/zinc/84/19/36/890841936.db2.gz ROLVNTGDYBZXNS-WDEREUQCSA-N 0 3 282.344 -1.213 20 30 CAEDHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001438980481 891255961 /nfs/dbraw/zinc/25/59/61/891255961.db2.gz KUDVSOBIHOBZEY-SECBINFHSA-N 0 3 279.300 -1.687 20 30 CAEDHN C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001440307879 891365901 /nfs/dbraw/zinc/36/59/01/891365901.db2.gz KFXZYNDGPSCAIB-QMMMGPOBSA-N 0 3 281.316 -1.031 20 30 CAEDHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001445150736 891607006 /nfs/dbraw/zinc/60/70/06/891607006.db2.gz HTIODMYWQCWGAG-JTQLQIEISA-N 0 3 293.327 -1.297 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001445149616 891607395 /nfs/dbraw/zinc/60/73/95/891607395.db2.gz GSNFVJMBXLIRDQ-QWRGUYRKSA-N 0 3 282.344 -1.165 20 30 CAEDHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001449101764 891825626 /nfs/dbraw/zinc/82/56/26/891825626.db2.gz MAXZIXJNRJYHKK-WPRPVWTQSA-N 0 3 293.327 -1.217 20 30 CAEDHN CN(CCO)CCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC001472876803 892408364 /nfs/dbraw/zinc/40/83/64/892408364.db2.gz UCNJKORKJNOOAX-UHFFFAOYSA-N 0 3 281.316 -1.708 20 30 CAEDHN C#CCN(C)CCCNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC001478734233 892464322 /nfs/dbraw/zinc/46/43/22/892464322.db2.gz ASYDHFHKROTZDV-NSHDSACASA-N 0 3 282.344 -1.163 20 30 CAEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(N)=O)n1 ZINC001479607817 892478866 /nfs/dbraw/zinc/47/88/66/892478866.db2.gz ZXYFEEYICJGSBG-UHFFFAOYSA-N 0 3 279.300 -1.051 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001480107038 892497720 /nfs/dbraw/zinc/49/77/20/892497720.db2.gz YXMHGAYYDWMGET-WDEREUQCSA-N 0 3 294.355 -1.242 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045797 892498215 /nfs/dbraw/zinc/49/82/15/892498215.db2.gz ZFUCNKFGVKJIJV-VIFPVBQESA-N 0 3 266.301 -2.295 20 30 CAEDHN Cn1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)cn1 ZINC001480104303 892498665 /nfs/dbraw/zinc/49/86/65/892498665.db2.gz IBPCWYMYSOCUGW-NSHDSACASA-N 0 3 290.327 -1.136 20 30 CAEDHN COCC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001480104323 892498910 /nfs/dbraw/zinc/49/89/10/892498910.db2.gz NEZSHKXYKNSCJJ-VIFPVBQESA-N 0 3 254.290 -1.537 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CNC(C)=O ZINC001480415077 892511039 /nfs/dbraw/zinc/51/10/39/892511039.db2.gz DSVZEQVURHAHDL-UWVGGRQHSA-N 0 3 282.344 -1.645 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001480429488 892513568 /nfs/dbraw/zinc/51/35/68/892513568.db2.gz TVJAQHAXCKCFCZ-QWRGUYRKSA-N 0 3 283.328 -1.755 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001480429489 892514459 /nfs/dbraw/zinc/51/44/59/892514459.db2.gz TVJAQHAXCKCFCZ-WDEREUQCSA-N 0 3 283.328 -1.755 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001480434494 892514625 /nfs/dbraw/zinc/51/46/25/892514625.db2.gz WCRASRTVXOWQMT-SECBINFHSA-N 0 3 289.357 -2.125 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ccnn1C ZINC001480434645 892515777 /nfs/dbraw/zinc/51/57/77/892515777.db2.gz NFMAPAABYAXKLW-JTQLQIEISA-N 0 3 277.328 -1.123 20 30 CAEDHN C[C@@H](CNC(=O)c1ncn(C)n1)NCC(=O)NCC#N ZINC001480456554 892517096 /nfs/dbraw/zinc/51/70/96/892517096.db2.gz SHGXPBDTYOPMCJ-QMMMGPOBSA-N 0 3 279.304 -1.837 20 30 CAEDHN C[C@H](CNC(=O)c1ncn(C)n1)NCC(=O)NCC#N ZINC001480456553 892517919 /nfs/dbraw/zinc/51/79/19/892517919.db2.gz SHGXPBDTYOPMCJ-MRVPVSSYSA-N 0 3 279.304 -1.837 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CNC(=O)CC(N)=O ZINC001480440935 892517966 /nfs/dbraw/zinc/51/79/66/892517966.db2.gz ZCFMWWVSWRSZDP-MRVPVSSYSA-N 0 3 256.306 -1.742 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)CC1OCCCO1 ZINC001480451160 892518102 /nfs/dbraw/zinc/51/81/02/892518102.db2.gz QHMXHZCSMUDUQS-NSHDSACASA-N 0 3 297.355 -1.017 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC(N)=O ZINC001480438649 892519804 /nfs/dbraw/zinc/51/98/04/892519804.db2.gz JIDWOABHBIPPKA-RKDXNWHRSA-N 0 3 268.317 -1.906 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CC(N)=O ZINC001480438642 892519876 /nfs/dbraw/zinc/51/98/76/892519876.db2.gz JIDWOABHBIPPKA-BDAKNGLRSA-N 0 3 268.317 -1.906 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001480459182 892521397 /nfs/dbraw/zinc/52/13/97/892521397.db2.gz KGZJPNIZDQLRFE-LLVKDONJSA-N 0 3 291.355 -1.194 20 30 CAEDHN COCC#CCN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001480461595 892521478 /nfs/dbraw/zinc/52/14/78/892521478.db2.gz MPHKDPVDFBIVFM-JTQLQIEISA-N 0 3 266.305 -1.583 20 30 CAEDHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C#CC1CC1 ZINC001480458532 892523105 /nfs/dbraw/zinc/52/31/05/892523105.db2.gz XZMVFSVBKDWRKJ-VIFPVBQESA-N 0 3 280.328 -1.050 20 30 CAEDHN C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1[n-]nnc1C ZINC001480515246 892524944 /nfs/dbraw/zinc/52/49/44/892524944.db2.gz RYRLQKLZQXACMB-MRVPVSSYSA-N 0 3 278.316 -1.430 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001480519008 892526984 /nfs/dbraw/zinc/52/69/84/892526984.db2.gz UKCMTMSJKVCQAQ-MEWQQHAOSA-N 0 3 279.340 -1.278 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001480517009 892527488 /nfs/dbraw/zinc/52/74/88/892527488.db2.gz DBVKIAFIQCRQNB-SECBINFHSA-N 0 3 293.327 -1.417 20 30 CAEDHN CC#CCN[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001480547655 892530740 /nfs/dbraw/zinc/53/07/40/892530740.db2.gz CNLGYEVUGOHIFC-ONGXEEELSA-N 0 3 282.344 -1.516 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001480542049 892530921 /nfs/dbraw/zinc/53/09/21/892530921.db2.gz JDYFEAJARFAFQM-JTQLQIEISA-N 0 3 277.328 -1.204 20 30 CAEDHN COCC#CCN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001480527149 892531537 /nfs/dbraw/zinc/53/15/37/892531537.db2.gz OTORFLWFWXETAJ-NXEZZACHSA-N 0 3 268.317 -1.588 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001480561571 892533966 /nfs/dbraw/zinc/53/39/66/892533966.db2.gz LCOFIFMNFCHABO-SNVBAGLBSA-N 0 3 277.328 -1.204 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)CCNC(N)=O ZINC001480586418 892535234 /nfs/dbraw/zinc/53/52/34/892535234.db2.gz KBAMHZCHBOTIAG-SECBINFHSA-N 0 3 283.332 -2.112 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)CCNC(N)=O ZINC001480586421 892535325 /nfs/dbraw/zinc/53/53/25/892535325.db2.gz KBAMHZCHBOTIAG-VIFPVBQESA-N 0 3 283.332 -2.112 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)NC(C)=O ZINC001480556548 892535681 /nfs/dbraw/zinc/53/56/81/892535681.db2.gz WFOKRQDQCKNTOM-JTQLQIEISA-N 0 3 296.371 -1.255 20 30 CAEDHN COCC#CCN[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001480588567 892535842 /nfs/dbraw/zinc/53/58/42/892535842.db2.gz JVUNOFPJDLPNEC-NSHDSACASA-N 0 3 295.339 -1.121 20 30 CAEDHN CC(C)(C(N)=O)C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001480616732 892537750 /nfs/dbraw/zinc/53/77/50/892537750.db2.gz JFGLUJVCPWWFSX-VIFPVBQESA-N 0 3 295.343 -1.672 20 30 CAEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001480613194 892538256 /nfs/dbraw/zinc/53/82/56/892538256.db2.gz CMHLYDYHFZFCOE-JOYOIKCWSA-N 0 3 255.318 -1.011 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001480604923 892538486 /nfs/dbraw/zinc/53/84/86/892538486.db2.gz SPNKRYPFBMHDII-NSHDSACASA-N 0 3 277.328 -1.273 20 30 CAEDHN Cn1nncc1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001480614036 892538828 /nfs/dbraw/zinc/53/88/28/892538828.db2.gz DKUJTNUXSFRBHL-VIFPVBQESA-N 0 3 291.315 -1.741 20 30 CAEDHN COC[C@H](OC)C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001480620237 892539030 /nfs/dbraw/zinc/53/90/30/892539030.db2.gz ZCVLABGITNFNTP-QWRGUYRKSA-N 0 3 298.343 -1.522 20 30 CAEDHN C=CCN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001480866196 892555521 /nfs/dbraw/zinc/55/55/21/892555521.db2.gz WAIWYYQXPJIIJG-UHFFFAOYSA-N 0 3 266.305 -1.389 20 30 CAEDHN C=CCNC(=O)CN(C)CCNC(=O)c1ncn[nH]1 ZINC001480926464 892561311 /nfs/dbraw/zinc/56/13/11/892561311.db2.gz WJIGCYJZGNBHKL-UHFFFAOYSA-N 0 3 266.305 -1.232 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCCO1 ZINC001481204531 892581625 /nfs/dbraw/zinc/58/16/25/892581625.db2.gz ZIKFUPUQJMVSPJ-NSHDSACASA-N 0 3 267.329 -1.037 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCCO1 ZINC001481204181 892581910 /nfs/dbraw/zinc/58/19/10/892581910.db2.gz OQBAPOADKZMZTG-SNVBAGLBSA-N 0 3 268.317 -1.147 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CCCO1 ZINC001481204180 892582754 /nfs/dbraw/zinc/58/27/54/892582754.db2.gz OQBAPOADKZMZTG-JTQLQIEISA-N 0 3 268.317 -1.147 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)CNC(=O)CC ZINC001481216397 892583231 /nfs/dbraw/zinc/58/32/31/892583231.db2.gz ZWDOBFVTXPZANE-LLVKDONJSA-N 0 3 296.371 -1.302 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCC(=O)N1 ZINC001481213610 892583882 /nfs/dbraw/zinc/58/38/82/892583882.db2.gz JOAUXAAEFCEQHM-SECBINFHSA-N 0 3 281.316 -2.047 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)Cc1cc[nH]n1 ZINC001481216610 892585605 /nfs/dbraw/zinc/58/56/05/892585605.db2.gz IYPWYWALYOXWMC-UHFFFAOYSA-N 0 3 278.316 -1.360 20 30 CAEDHN CCNC(=O)CC(=O)N(C)CCNCC(=O)NCC#N ZINC001481221937 892586222 /nfs/dbraw/zinc/58/62/22/892586222.db2.gz DBAJEHBFTVJLGU-UHFFFAOYSA-N 0 3 283.332 -1.800 20 30 CAEDHN C#CCNCCN(C)C(=O)CNS(=O)(=O)CC ZINC001481236733 892589384 /nfs/dbraw/zinc/58/93/84/892589384.db2.gz NZQQGJWYOLNNPG-UHFFFAOYSA-N 0 3 261.347 -1.393 20 30 CAEDHN C#CCNC(=O)CNCCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001481274983 892593866 /nfs/dbraw/zinc/59/38/66/892593866.db2.gz FQUNHEQPWSBRNW-AWEZNQCLSA-N 0 3 294.355 -1.548 20 30 CAEDHN CN(CCNCC(=O)NCC#N)C(=O)C[C@H]1CCC(=O)N1 ZINC001481290951 892595313 /nfs/dbraw/zinc/59/53/13/892595313.db2.gz QKSVOTVPCZNKBK-SNVBAGLBSA-N 0 3 295.343 -1.657 20 30 CAEDHN COCC#CCNCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001481314112 892597403 /nfs/dbraw/zinc/59/74/03/892597403.db2.gz DIUXMTHPRDJTKQ-UHFFFAOYSA-N 0 3 295.339 -1.167 20 30 CAEDHN C#CCCN1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001481628714 892614211 /nfs/dbraw/zinc/61/42/11/892614211.db2.gz ZKRZQGBPHOOXSO-UHFFFAOYSA-N 0 3 287.385 -1.003 20 30 CAEDHN CC[C@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)NCC#N ZINC001481820390 892626582 /nfs/dbraw/zinc/62/65/82/892626582.db2.gz DJSRSVGOCFNJKS-SECBINFHSA-N 0 3 297.359 -1.378 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CC)CNC(=O)CC(N)=O ZINC001481796752 892626796 /nfs/dbraw/zinc/62/67/96/892626796.db2.gz GZFDXPNWBIXXFV-VIFPVBQESA-N 0 3 268.317 -1.904 20 30 CAEDHN C#CCNC(=O)CN[C@H](CC)CNC(=O)c1cnnn1C ZINC001481807248 892628484 /nfs/dbraw/zinc/62/84/84/892628484.db2.gz FMJHXSUUPKWGSY-SNVBAGLBSA-N 0 3 292.343 -1.338 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C(N)=O ZINC001481849832 892630165 /nfs/dbraw/zinc/63/01/65/892630165.db2.gz NXBHDPRJLFSODX-DTWKUNHWSA-N 0 3 270.333 -1.353 20 30 CAEDHN C#CCNC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001482062799 892634536 /nfs/dbraw/zinc/63/45/36/892634536.db2.gz ZEJJDXKBSWYCQS-SECBINFHSA-N 0 3 266.301 -2.198 20 30 CAEDHN CCC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)NCC#N ZINC001482264570 892641773 /nfs/dbraw/zinc/64/17/73/892641773.db2.gz ATMMYBOCJOAASK-SNVBAGLBSA-N 0 3 297.359 -1.411 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC1(CNC(=O)C(N)=O)CCCC1 ZINC001482228912 892642557 /nfs/dbraw/zinc/64/25/57/892642557.db2.gz ZIYCMOPQEQDWNQ-JTQLQIEISA-N 0 3 294.355 -1.372 20 30 CAEDHN C=CCNC(=O)CNC1(CNC(=O)C(N)=O)CCCC1 ZINC001482227877 892643114 /nfs/dbraw/zinc/64/31/14/892643114.db2.gz GNIGUUNBVCDGSX-UHFFFAOYSA-N 0 3 282.344 -1.208 20 30 CAEDHN N#CCNC(=O)CNC1(CNC(=O)C(N)=O)CCCC1 ZINC001482228243 892643266 /nfs/dbraw/zinc/64/32/66/892643266.db2.gz OCJSRZCNYDCBKN-UHFFFAOYSA-N 0 3 281.316 -1.870 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001482279940 892645276 /nfs/dbraw/zinc/64/52/76/892645276.db2.gz OYOMVRFWKWLWBO-JTQLQIEISA-N 0 3 292.343 -1.385 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482329419 892648540 /nfs/dbraw/zinc/64/85/40/892648540.db2.gz BFIGUGOEDJVYII-MXWKQRLJSA-N 0 3 296.371 -1.154 20 30 CAEDHN C#CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)C(N)=O ZINC001482495114 892648580 /nfs/dbraw/zinc/64/85/80/892648580.db2.gz PYDCFBFXJMMILT-QWRGUYRKSA-N 0 3 294.355 -1.562 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)F ZINC001482702560 892660273 /nfs/dbraw/zinc/66/02/73/892660273.db2.gz LDRAZMNSYNLKPJ-VIFPVBQESA-N 0 3 273.308 -1.449 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001482705820 892660425 /nfs/dbraw/zinc/66/04/25/892660425.db2.gz OHDYJXANFSKQGC-MNOVXSKESA-N 0 3 283.328 -2.019 20 30 CAEDHN CNC(=O)CNC[C@H](O)CNC(=O)CSCC#N ZINC001482710435 892662904 /nfs/dbraw/zinc/66/29/04/892662904.db2.gz YMPUFKRHIKLNDA-QMMMGPOBSA-N 0 3 274.346 -1.944 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001482710455 892662934 /nfs/dbraw/zinc/66/29/34/892662934.db2.gz YQRDZILTEQYKFF-VIFPVBQESA-N 0 3 281.316 -1.608 20 30 CAEDHN N#CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001482710224 892664161 /nfs/dbraw/zinc/66/41/61/892664161.db2.gz VBKDGWJVVCTZBF-QWRGUYRKSA-N 0 3 298.343 -1.738 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)/C(C)=C/C ZINC001482718625 892671215 /nfs/dbraw/zinc/67/12/15/892671215.db2.gz JWVGDUQDBMRGQV-IGLBNKAOSA-N 0 3 267.329 -1.231 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC(N)=O ZINC001482715363 892671788 /nfs/dbraw/zinc/67/17/88/892671788.db2.gz JQDNBLBAMUYFSK-IUCAKERBSA-N 0 3 284.316 -2.934 20 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C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001482779935 892700897 /nfs/dbraw/zinc/70/08/97/892700897.db2.gz TXPGLIQZWBTIQJ-SNVBAGLBSA-N 0 3 291.311 -2.094 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]cc1C ZINC001482790969 892706598 /nfs/dbraw/zinc/70/65/98/892706598.db2.gz MUAXPEJODKOEOQ-NSHDSACASA-N 0 3 292.339 -1.247 20 30 CAEDHN CCN(CCNCC(=O)NC(N)=O)C(=O)[C@@H](C)C#N ZINC001482913699 892714698 /nfs/dbraw/zinc/71/46/98/892714698.db2.gz AYHNTRBDDKEZJO-QMMMGPOBSA-N 0 3 269.305 -1.221 20 30 CAEDHN C#CCNCCN(CC)C(=O)Cn1cnc(C(N)=O)n1 ZINC001482923990 892715022 /nfs/dbraw/zinc/71/50/22/892715022.db2.gz BKSMFXIFGCCGKU-UHFFFAOYSA-N 0 3 278.316 -1.552 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N(CC)CCNCC(=O)NC(N)=O ZINC001482924075 892715246 /nfs/dbraw/zinc/71/52/46/892715246.db2.gz KTCOQQHSEQVBKY-JTQLQIEISA-N 0 3 298.343 -1.342 20 30 CAEDHN CCN(CCNCC(=O)NC(N)=O)C(=O)[C@H](C)C#N ZINC001482913697 892715428 /nfs/dbraw/zinc/71/54/28/892715428.db2.gz AYHNTRBDDKEZJO-MRVPVSSYSA-N 0 3 269.305 -1.221 20 30 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C=CCN1CC[C@@](O)(CNC(=O)CCNC(=O)COC)C1 ZINC001484220758 892814257 /nfs/dbraw/zinc/81/42/57/892814257.db2.gz ASVDWSARKRBSHB-CQSZACIVSA-N 0 3 299.371 -1.122 20 30 CAEDHN C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484223437 892818410 /nfs/dbraw/zinc/81/84/10/892818410.db2.gz NAJSVRKSSINDCO-DZGCQCFKSA-N 0 3 295.383 -1.371 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001484254238 892820341 /nfs/dbraw/zinc/82/03/41/892820341.db2.gz IBNBXIFEJFYJKY-IINYFYTJSA-N 0 3 295.339 -1.222 20 30 CAEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001484254241 892830049 /nfs/dbraw/zinc/83/00/49/892830049.db2.gz IBNBXIFEJFYJKY-YGRLFVJLSA-N 0 3 295.339 -1.222 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001484475769 892862865 /nfs/dbraw/zinc/86/28/65/892862865.db2.gz HWBUIWHQLLWJSB-UHFFFAOYSA-N 0 3 267.329 -1.444 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@H](C)NC(C)=O ZINC001484476364 892863566 /nfs/dbraw/zinc/86/35/66/892863566.db2.gz FQZJVQXIWYOSBR-JTQLQIEISA-N 0 3 255.318 -1.445 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)c1cc[nH]n1 ZINC001484475628 892863362 /nfs/dbraw/zinc/86/33/62/892863362.db2.gz CEKLLGBWVMSRQB-UHFFFAOYSA-N 0 3 293.327 -1.817 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001484493962 892871545 /nfs/dbraw/zinc/87/15/45/892871545.db2.gz ZLAXCHKGGAYHGD-NSHDSACASA-N 0 3 298.343 -2.272 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1ccc(C(N)=O)cn1 ZINC001484502528 892871727 /nfs/dbraw/zinc/87/17/27/892871727.db2.gz YUXPROFALYFTKY-UHFFFAOYSA-N 0 3 290.323 -1.162 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001484501507 892873285 /nfs/dbraw/zinc/87/32/85/892873285.db2.gz YCKJYRTUKDMKPH-UHFFFAOYSA-N 0 3 278.312 -1.229 20 30 CAEDHN C#CCNCCN(CCO)C(=O)Cn1nnnc1C(C)C ZINC001484496136 892873661 /nfs/dbraw/zinc/87/36/61/892873661.db2.gz LZBVQZBLQKPXHS-UHFFFAOYSA-N 0 3 294.359 -1.160 20 30 CAEDHN C[C@@H](C#N)C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 ZINC001484671038 892882588 /nfs/dbraw/zinc/88/25/88/892882588.db2.gz KWLSIKOSGAMNRW-QWRGUYRKSA-N 0 3 293.327 -1.397 20 30 CAEDHN C[C@H](C#N)C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 ZINC001484671036 892883921 /nfs/dbraw/zinc/88/39/21/892883921.db2.gz KWLSIKOSGAMNRW-MNOVXSKESA-N 0 3 293.327 -1.397 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001484838175 892892410 /nfs/dbraw/zinc/89/24/10/892892410.db2.gz KGSMVDZZHSTOIW-ZWNOBZJWSA-N 0 3 281.312 -1.329 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001484838174 892895063 /nfs/dbraw/zinc/89/50/63/892895063.db2.gz KGSMVDZZHSTOIW-MFKMUULPSA-N 0 3 281.312 -1.329 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001484898001 892897303 /nfs/dbraw/zinc/89/73/03/892897303.db2.gz SXKBVEKQQMFTJF-IUCAKERBSA-N 0 3 268.317 -1.790 20 30 CAEDHN CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N ZINC001485130517 892905126 /nfs/dbraw/zinc/90/51/26/892905126.db2.gz RGUKVDKVNVBGBW-ZJUUUORDSA-N 0 3 297.359 -1.365 20 30 CAEDHN CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N ZINC001485130514 892907644 /nfs/dbraw/zinc/90/76/44/892907644.db2.gz RGUKVDKVNVBGBW-NXEZZACHSA-N 0 3 297.359 -1.365 20 30 CAEDHN C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001485159568 892909564 /nfs/dbraw/zinc/90/95/64/892909564.db2.gz IERFETGHHRDJME-IUCAKERBSA-N 0 3 297.359 -1.380 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001485198721 892915204 /nfs/dbraw/zinc/91/52/04/892915204.db2.gz KZGQCFXTSJHRAL-UWVGGRQHSA-N 0 3 292.343 -1.339 20 30 CAEDHN C#CCCN1CC([C@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001485536757 892935733 /nfs/dbraw/zinc/93/57/33/892935733.db2.gz XAOUSXXQHASRKZ-JTQLQIEISA-N 0 3 292.339 -1.002 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)Cn1ncn(C)c1=O ZINC001485772858 892943536 /nfs/dbraw/zinc/94/35/36/892943536.db2.gz AWXMLYCYXSLQCA-UHFFFAOYSA-N 0 3 295.343 -1.720 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001485774655 892944272 /nfs/dbraw/zinc/94/42/72/892944272.db2.gz MFIZEUKALUFTGG-LLVKDONJSA-N 0 3 282.344 -1.292 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001485774659 892944445 /nfs/dbraw/zinc/94/44/45/892944445.db2.gz MFIZEUKALUFTGG-NSHDSACASA-N 0 3 282.344 -1.292 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC(=O)NCC ZINC001485867172 892946703 /nfs/dbraw/zinc/94/67/03/892946703.db2.gz VZHJOQLWNADINW-NSHDSACASA-N 0 3 296.371 -1.302 20 30 CAEDHN COCC#CCN[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485844079 892946733 /nfs/dbraw/zinc/94/67/33/892946733.db2.gz DTWNGDJPVIWGGT-LLVKDONJSA-N 0 3 280.332 -1.241 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001485872545 892948154 /nfs/dbraw/zinc/94/81/54/892948154.db2.gz UUVTXSCQIQSXBC-SNVBAGLBSA-N 0 3 292.343 -1.385 20 30 CAEDHN CCC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NCC#N ZINC001485856042 892948307 /nfs/dbraw/zinc/94/83/07/892948307.db2.gz OPZVBJVTVBOGFU-JTQLQIEISA-N 0 3 297.359 -1.411 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001485872540 892948736 /nfs/dbraw/zinc/94/87/36/892948736.db2.gz UUVTXSCQIQSXBC-JTQLQIEISA-N 0 3 292.343 -1.385 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCNC1=O ZINC001485908829 892952019 /nfs/dbraw/zinc/95/20/19/892952019.db2.gz BZYUVJCLHKBBPH-QWRGUYRKSA-N 0 3 296.371 -1.139 20 30 CAEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001485930416 892956533 /nfs/dbraw/zinc/95/65/33/892956533.db2.gz QYBUWRRFFMAZNE-PWSUYJOCSA-N 0 3 296.371 -1.174 20 30 CAEDHN CC(C)NC(=O)NCCN[C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001485979403 892969155 /nfs/dbraw/zinc/96/91/55/892969155.db2.gz JCJDCYDOMFQEMQ-QWRGUYRKSA-N 0 3 299.375 -1.080 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001485983955 892974465 /nfs/dbraw/zinc/97/44/65/892974465.db2.gz WTYZQSWRAXROKJ-NEPJUHHUSA-N 0 3 296.371 -2.103 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001486043005 892997512 /nfs/dbraw/zinc/99/75/12/892997512.db2.gz NUDZGXMCKXIGDQ-SECBINFHSA-N 0 3 293.389 -1.433 20 30 CAEDHN C#CCCN[C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001486047732 892998825 /nfs/dbraw/zinc/99/88/25/892998825.db2.gz MKOPHXUYJVRDHU-LLVKDONJSA-N 0 3 267.329 -1.397 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001486044603 892999481 /nfs/dbraw/zinc/99/94/81/892999481.db2.gz OJZLWMAOAUVDMX-VIFPVBQESA-N 0 3 269.301 -1.708 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)CCC(=O)N1CCOCC1 ZINC001486058624 893000947 /nfs/dbraw/zinc/00/09/47/893000947.db2.gz IGUPQSVSPHISLQ-LBPRGKRZSA-N 0 3 299.371 -1.122 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)CCC(=O)N1CCOCC1 ZINC001486058623 893001629 /nfs/dbraw/zinc/00/16/29/893001629.db2.gz IGUPQSVSPHISLQ-GFCCVEGCSA-N 0 3 299.371 -1.122 20 30 CAEDHN C#CCN[C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001486062492 893006382 /nfs/dbraw/zinc/00/63/82/893006382.db2.gz WVSWKNXFKZTDNC-LLVKDONJSA-N 0 3 250.302 -1.109 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001486065790 893007063 /nfs/dbraw/zinc/00/70/63/893007063.db2.gz KIWCMNQIPGLLJR-UWVGGRQHSA-N 0 3 278.374 -1.080 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001486065792 893009501 /nfs/dbraw/zinc/00/95/01/893009501.db2.gz KIWCMNQIPGLLJR-ZJUUUORDSA-N 0 3 278.374 -1.080 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001486065789 893010378 /nfs/dbraw/zinc/01/03/78/893010378.db2.gz KIWCMNQIPGLLJR-NXEZZACHSA-N 0 3 278.374 -1.080 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241784 893017179 /nfs/dbraw/zinc/01/71/79/893017179.db2.gz ZHHBMMWVGOOJDU-NXEZZACHSA-N 0 3 296.371 -1.011 20 30 CAEDHN CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)[C@@H]1CCCO1 ZINC001486259092 893017398 /nfs/dbraw/zinc/01/73/98/893017398.db2.gz AXGLHRUBGGLVBE-MNOVXSKESA-N 0 3 298.343 -1.786 20 30 CAEDHN COCC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486263950 893024922 /nfs/dbraw/zinc/02/49/22/893024922.db2.gz ANGWOBVUMHCXGV-NWDGAFQWSA-N 0 3 297.355 -1.676 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)[C@H]1CCCO1 ZINC001486259094 893025457 /nfs/dbraw/zinc/02/54/57/893025457.db2.gz AXGLHRUBGGLVBE-WDEREUQCSA-N 0 3 298.343 -1.786 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C(C)C ZINC001486262467 893025927 /nfs/dbraw/zinc/02/59/27/893025927.db2.gz ZUBAIYCHIKPAHX-NSHDSACASA-N 0 3 269.345 -1.199 20 30 CAEDHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001486272594 893030877 /nfs/dbraw/zinc/03/08/77/893030877.db2.gz ZXPHLIQCNIHQHB-JTQLQIEISA-N 0 3 279.300 -1.606 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001486287796 893036184 /nfs/dbraw/zinc/03/61/84/893036184.db2.gz FERFIHICNBKNAJ-SECBINFHSA-N 0 3 296.331 -1.871 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C1(C)CC1 ZINC001486280001 893037830 /nfs/dbraw/zinc/03/78/30/893037830.db2.gz UHJYWVUCSPZPAE-NSHDSACASA-N 0 3 281.356 -1.055 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001486301169 893043039 /nfs/dbraw/zinc/04/30/39/893043039.db2.gz LAENIQSMDUSWRU-NWDGAFQWSA-N 0 3 293.367 -1.055 20 30 CAEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336476 893056493 /nfs/dbraw/zinc/05/64/93/893056493.db2.gz KIRSHAQHGPSVAI-JTQLQIEISA-N 0 3 272.349 -1.148 20 30 CAEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336477 893060632 /nfs/dbraw/zinc/06/06/32/893060632.db2.gz KIRSHAQHGPSVAI-SNVBAGLBSA-N 0 3 272.349 -1.148 20 30 CAEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001486337193 893060961 /nfs/dbraw/zinc/06/09/61/893060961.db2.gz RBRQQLQDKWZSQG-GFCCVEGCSA-N 0 3 299.371 -1.218 20 30 CAEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001486337194 893062850 /nfs/dbraw/zinc/06/28/50/893062850.db2.gz RBRQQLQDKWZSQG-LBPRGKRZSA-N 0 3 299.371 -1.218 20 30 CAEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001486360555 893069675 /nfs/dbraw/zinc/06/96/75/893069675.db2.gz NNQIVMGRTIUZQT-GHMZBOCLSA-N 0 3 297.355 -1.024 20 30 CAEDHN C[C@H](C#N)C(=O)N(C)CCOCCNCC(=O)NC(N)=O ZINC001486493100 893075473 /nfs/dbraw/zinc/07/54/73/893075473.db2.gz MRUVNTBVGAAGPZ-SECBINFHSA-N 0 3 299.331 -1.594 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001490305196 893194008 /nfs/dbraw/zinc/19/40/08/893194008.db2.gz DVHBYRSYQKDDDV-MNOVXSKESA-N 0 3 294.355 -1.420 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001490305192 893196011 /nfs/dbraw/zinc/19/60/11/893196011.db2.gz DVHBYRSYQKDDDV-GHMZBOCLSA-N 0 3 294.355 -1.420 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647283 893211264 /nfs/dbraw/zinc/21/12/64/893211264.db2.gz ASOIYUINBGKWFR-GXSJLCMTSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647286 893211586 /nfs/dbraw/zinc/21/15/86/893211586.db2.gz ASOIYUINBGKWFR-ONGXEEELSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)CN[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647674 893212246 /nfs/dbraw/zinc/21/22/46/893212246.db2.gz FACAVSJHUIWDBB-SNVBAGLBSA-N 0 3 280.328 -1.904 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647285 893215551 /nfs/dbraw/zinc/21/55/51/893215551.db2.gz ASOIYUINBGKWFR-MWLCHTKSSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)COC)C1 ZINC001490806363 893219421 /nfs/dbraw/zinc/21/94/21/893219421.db2.gz UJETVJIPBALWHQ-QWRGUYRKSA-N 0 3 267.329 -1.039 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001490840364 893221824 /nfs/dbraw/zinc/22/18/24/893221824.db2.gz WMLDFZMTBFIVPL-DTWKUNHWSA-N 0 3 294.315 -2.502 20 30 CAEDHN CC#CCN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001490829987 893222767 /nfs/dbraw/zinc/22/27/67/893222767.db2.gz BSXLASZYZXGDHC-LBPRGKRZSA-N 0 3 294.355 -1.548 20 30 CAEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001490857777 893223641 /nfs/dbraw/zinc/22/36/41/893223641.db2.gz YUKCRGXXRRRDRT-NSHDSACASA-N 0 3 289.339 -1.026 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001490847756 893224175 /nfs/dbraw/zinc/22/41/75/893224175.db2.gz JWSJBYPHWANLDF-QMMMGPOBSA-N 0 3 277.288 -1.751 20 30 CAEDHN C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001490847725 893224868 /nfs/dbraw/zinc/22/48/68/893224868.db2.gz GLXHSWMYLNFRNM-ZJUUUORDSA-N 0 3 290.327 -1.253 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001490836566 893224967 /nfs/dbraw/zinc/22/49/67/893224967.db2.gz NEJPDCIDEQMMEK-QWRGUYRKSA-N 0 3 296.371 -1.009 20 30 CAEDHN N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001491069337 893235367 /nfs/dbraw/zinc/23/53/67/893235367.db2.gz IWPYANPQCRSFNT-DTORHVGOSA-N 0 3 291.315 -1.776 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001491405847 893268668 /nfs/dbraw/zinc/26/86/68/893268668.db2.gz NHOGWEILQMNQJY-VIFPVBQESA-N 0 3 291.373 -1.573 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001491405846 893268865 /nfs/dbraw/zinc/26/88/65/893268865.db2.gz NHOGWEILQMNQJY-SECBINFHSA-N 0 3 291.373 -1.573 20 30 CAEDHN C[C@@H](CNC(=O)CCn1cncn1)NCC(=O)NCC#N ZINC001491391735 893270133 /nfs/dbraw/zinc/27/01/33/893270133.db2.gz FTSOOQVECROZNI-JTQLQIEISA-N 0 3 293.331 -1.598 20 30 CAEDHN C=CCOCC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001491413940 893273052 /nfs/dbraw/zinc/27/30/52/893273052.db2.gz HTJNZGCMANSNLW-MRVPVSSYSA-N 0 3 272.305 -1.522 20 30 CAEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC(N)=O ZINC001491416974 893273932 /nfs/dbraw/zinc/27/39/32/893273932.db2.gz CFUVIQQDJGFWFG-DTWKUNHWSA-N 0 3 270.333 -1.353 20 30 CAEDHN C[C@@H](CNC(=O)c1ccnn1C)NCC(=O)NCC#N ZINC001491409084 893274168 /nfs/dbraw/zinc/27/41/68/893274168.db2.gz BRHPDVPSIDLDQT-VIFPVBQESA-N 0 3 278.316 -1.232 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445259 893276977 /nfs/dbraw/zinc/27/69/77/893276977.db2.gz SYQZBQAJZIEWMJ-ZJUUUORDSA-N 0 3 292.343 -1.339 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445258 893277600 /nfs/dbraw/zinc/27/76/00/893277600.db2.gz SYQZBQAJZIEWMJ-VHSXEESVSA-N 0 3 292.343 -1.339 20 30 CAEDHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)NCC(=O)NCC#N ZINC001491454983 893277792 /nfs/dbraw/zinc/27/77/92/893277792.db2.gz NHMCGKZFWNGTGQ-WDEREUQCSA-N 0 3 298.343 -1.474 20 30 CAEDHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)NCC(=O)NCC#N ZINC001491454982 893278053 /nfs/dbraw/zinc/27/80/53/893278053.db2.gz NHMCGKZFWNGTGQ-QWRGUYRKSA-N 0 3 298.343 -1.474 20 30 CAEDHN C[C@H](CNC(=O)c1csnn1)NCC(=O)NCC#N ZINC001491539120 893289153 /nfs/dbraw/zinc/28/91/53/893289153.db2.gz HTEMMNVLBHIJIZ-SSDOTTSWSA-N 0 3 282.329 -1.114 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001491545447 893290361 /nfs/dbraw/zinc/29/03/61/893290361.db2.gz BRBCKPLZUABWJR-VHSXEESVSA-N 0 3 280.328 -2.034 20 30 CAEDHN COCC#CCN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001491556692 893292352 /nfs/dbraw/zinc/29/23/52/893292352.db2.gz YLQWLNWICSUCAD-VIFPVBQESA-N 0 3 266.305 -1.432 20 30 CAEDHN COCC#CCN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001491556689 893292797 /nfs/dbraw/zinc/29/27/97/893292797.db2.gz YLQWLNWICSUCAD-SECBINFHSA-N 0 3 266.305 -1.432 20 30 CAEDHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(=O)NCC#N ZINC001491569967 893293739 /nfs/dbraw/zinc/29/37/39/893293739.db2.gz WOPFGTCKLJYOOG-QMMMGPOBSA-N 0 3 294.315 -1.527 20 30 CAEDHN COCC#CCN[C@H](C)CNC(=O)CCNC(N)=O ZINC001491664525 893303545 /nfs/dbraw/zinc/30/35/45/893303545.db2.gz KQKGHWLSWNMYHL-SNVBAGLBSA-N 0 3 270.333 -1.211 20 30 CAEDHN 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CAEDHN C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1nc[nH]n1 ZINC001493735635 893415579 /nfs/dbraw/zinc/41/55/79/893415579.db2.gz RHFAHUSLBPRMSG-SECBINFHSA-N 0 3 278.316 -1.396 20 30 CAEDHN C#CCNCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001493791933 893418855 /nfs/dbraw/zinc/41/88/55/893418855.db2.gz UJELLWQEUIFUBO-UHFFFAOYSA-N 0 3 251.286 -1.183 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001494158221 893425480 /nfs/dbraw/zinc/42/54/80/893425480.db2.gz XTRHUNKAVQQZEY-MNOVXSKESA-N 0 3 294.355 -1.610 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H](C)NC(N)=O ZINC001494972609 893464565 /nfs/dbraw/zinc/46/45/65/893464565.db2.gz WNJRQXCFUIDYIY-UWVGGRQHSA-N 0 3 297.359 -1.723 20 30 CAEDHN CC[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)NCC#N ZINC001494937664 893465723 /nfs/dbraw/zinc/46/57/23/893465723.db2.gz HZEQUBXRCAUUPR-VIFPVBQESA-N 0 3 294.319 -2.203 20 30 CAEDHN CC[C@H](CNC(=O)Cn1cnnn1)NCC(=O)NCC#N ZINC001494937658 893466134 /nfs/dbraw/zinc/46/61/34/893466134.db2.gz HZEQUBXRCAUUPR-SECBINFHSA-N 0 3 294.319 -2.203 20 30 CAEDHN C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CCC(=O)N1 ZINC001494947111 893466368 /nfs/dbraw/zinc/46/63/68/893466368.db2.gz BEXTUARXJZDRDS-WDEREUQCSA-N 0 3 294.355 -1.501 20 30 CAEDHN C=CCNC(=O)CN[C@H](CC)CNC(=O)C(N)=O ZINC001495052585 893471261 /nfs/dbraw/zinc/47/12/61/893471261.db2.gz ZMQXHRRYCIJCQQ-MRVPVSSYSA-N 0 3 256.306 -1.742 20 30 CAEDHN CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NCC#N ZINC001495060784 893473526 /nfs/dbraw/zinc/47/35/26/893473526.db2.gz RDPAIZQBQMHNTL-BBBLOLIVSA-N 0 3 295.343 -1.768 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C(N)=O ZINC001495575689 893482974 /nfs/dbraw/zinc/48/29/74/893482974.db2.gz BWMJKGQRHVIVJQ-VHSXEESVSA-N 0 3 282.344 -1.257 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)N(C)C(=O)CNC(=O)CC ZINC001496020062 893503215 /nfs/dbraw/zinc/50/32/15/893503215.db2.gz KUMRGGUGZAGWGC-NSHDSACASA-N 0 3 296.371 -1.302 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC(N)=O ZINC001496026179 893503485 /nfs/dbraw/zinc/50/34/85/893503485.db2.gz 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/nfs/dbraw/zinc/54/71/03/893547103.db2.gz IVGSAOXVRUBSES-ZJUUUORDSA-N 0 3 284.316 -2.128 20 30 CAEDHN N#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001496937911 893548376 /nfs/dbraw/zinc/54/83/76/893548376.db2.gz IVGSAOXVRUBSES-VHSXEESVSA-N 0 3 284.316 -2.128 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001496948261 893550849 /nfs/dbraw/zinc/55/08/49/893550849.db2.gz CNTVNASCTWMQBI-SNVBAGLBSA-N 0 3 295.343 -1.597 20 30 CAEDHN C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001496955588 893556020 /nfs/dbraw/zinc/55/60/20/893556020.db2.gz RBZXTQCEPNBWHA-BDAKNGLRSA-N 0 3 267.289 -2.147 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)[C@H](C)COC ZINC001496951403 893558259 /nfs/dbraw/zinc/55/82/59/893558259.db2.gz VOCQWSNYWFKYAF-NEPJUHHUSA-N 0 3 272.345 -1.015 20 30 CAEDHN C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC#N ZINC001496955590 893558927 /nfs/dbraw/zinc/55/89/27/893558927.db2.gz RBZXTQCEPNBWHA-IUCAKERBSA-N 0 3 267.289 -2.147 20 30 CAEDHN C#CCNCCN(CC)C(=O)CN(C)S(C)(=O)=O ZINC001497396330 893615227 /nfs/dbraw/zinc/61/52/27/893615227.db2.gz CZNYJQVPCDDNTE-UHFFFAOYSA-N 0 3 275.374 -1.051 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)C1CC1 ZINC001496960536 893563375 /nfs/dbraw/zinc/56/33/75/893563375.db2.gz KYTKJRRCWSGCGS-ZYHUDNBSSA-N 0 3 281.356 -1.151 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C1CC1 ZINC001496960533 893565094 /nfs/dbraw/zinc/56/50/94/893565094.db2.gz KYTKJRRCWSGCGS-CMPLNLGQSA-N 0 3 281.356 -1.151 20 30 CAEDHN CC(C)C#CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001496976890 893566463 /nfs/dbraw/zinc/56/64/63/893566463.db2.gz ICBCTXHLELOWSV-LLVKDONJSA-N 0 3 269.345 -1.199 20 30 CAEDHN CCn1nncc1C(=O)NC[C@@H](O)CNCC#CCOC ZINC001496978085 893566621 /nfs/dbraw/zinc/56/66/21/893566621.db2.gz VRRBEYFQOBHGIC-NSHDSACASA-N 0 3 295.343 -1.372 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496983960 893570709 /nfs/dbraw/zinc/57/07/09/893570709.db2.gz YMWIOSNASANPHL-WCQYABFASA-N 0 3 291.351 -1.396 20 30 CAEDHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496983986 893570794 /nfs/dbraw/zinc/57/07/94/893570794.db2.gz YQLDDDKCDFYOEG-GFCCVEGCSA-N 0 3 281.356 -1.055 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C#CC1CC1 ZINC001496983964 893571458 /nfs/dbraw/zinc/57/14/58/893571458.db2.gz YMWIOSNASANPHL-YPMHNXCESA-N 0 3 291.351 -1.396 20 30 CAEDHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496980106 893573081 /nfs/dbraw/zinc/57/30/81/893573081.db2.gz MCRVTBNONBSCAG-LLVKDONJSA-N 0 3 267.329 -1.445 20 30 CAEDHN CNC(=O)CNC[C@H](O)CNC(=O)C#CC1CC1 ZINC001496980430 893573619 /nfs/dbraw/zinc/57/36/19/893573619.db2.gz OXPNJUITHAXTNQ-JTQLQIEISA-N 0 3 253.302 -1.788 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001496979884 893574367 /nfs/dbraw/zinc/57/43/67/893574367.db2.gz KUKOIHSFOKJWDW-NXEZZACHSA-N 0 3 295.343 -1.219 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)CC(C)(F)F ZINC001497046357 893588212 /nfs/dbraw/zinc/58/82/12/893588212.db2.gz JJHAWWOGFDUCHC-SECBINFHSA-N 0 3 291.298 -1.152 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001497039493 893588706 /nfs/dbraw/zinc/58/87/06/893588706.db2.gz HNSDAGFUWTXBST-AAEUAGOBSA-N 0 3 288.319 -1.169 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001497039494 893591304 /nfs/dbraw/zinc/59/13/04/893591304.db2.gz HNSDAGFUWTXBST-DGCLKSJQSA-N 0 3 288.319 -1.169 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001497052998 893594063 /nfs/dbraw/zinc/59/40/63/893594063.db2.gz GHUJMJDELPFWMJ-GFCCVEGCSA-N 0 3 293.367 -1.007 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1nocc1C ZINC001497082182 893600811 /nfs/dbraw/zinc/60/08/11/893600811.db2.gz LDYVLPUFANEFFD-JTQLQIEISA-N 0 3 294.311 -1.587 20 30 CAEDHN C#CCNCCN(CC)C(=O)CNS(=O)(=O)CC ZINC001497398434 893617546 /nfs/dbraw/zinc/61/75/46/893617546.db2.gz WUZQYKWXNIVXDX-UHFFFAOYSA-N 0 3 275.374 -1.003 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)CC(N)=O ZINC001497550713 893622941 /nfs/dbraw/zinc/62/29/41/893622941.db2.gz NXZDTAVTIJXWLK-LWTINBJPSA-N 0 3 280.328 -1.738 20 30 CAEDHN COCC#CCNC[C@@H](C)NC(=O)CNC(C)=O ZINC001497775921 893629731 /nfs/dbraw/zinc/62/97/31/893629731.db2.gz IBFYHUFJKXXZED-SNVBAGLBSA-N 0 3 255.318 -1.133 20 30 CAEDHN C#CCNC/C=C/CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497770245 893629846 /nfs/dbraw/zinc/62/98/46/893629846.db2.gz KWYFVBDUUWXLHW-HMDXOVGESA-N 0 3 263.297 -1.066 20 30 CAEDHN C#CCNC/C=C\CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001497770247 893631077 /nfs/dbraw/zinc/63/10/77/893631077.db2.gz KWYFVBDUUWXLHW-XOULXFPDSA-N 0 3 263.297 -1.066 20 30 CAEDHN C#CCNC/C=C/CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497693465 893631313 /nfs/dbraw/zinc/63/13/13/893631313.db2.gz WYLSYCXGEUJKQX-AATRIKPKSA-N 0 3 290.323 -1.407 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnns1 ZINC001497792635 893633398 /nfs/dbraw/zinc/63/33/98/893633398.db2.gz FQMRKNXQVQULLU-SSDOTTSWSA-N 0 3 282.329 -1.114 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001497792310 893633831 /nfs/dbraw/zinc/63/38/31/893633831.db2.gz VDKXQJNJDDXNRB-SECBINFHSA-N 0 3 263.301 -1.133 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 ZINC001497799626 893635988 /nfs/dbraw/zinc/63/59/88/893635988.db2.gz IVGOOXNUXIESQS-SECBINFHSA-N 0 3 278.316 -1.314 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497894889 893641533 /nfs/dbraw/zinc/64/15/33/893641533.db2.gz MMBCKEPTDOGNLD-SFYZADRCSA-N 0 3 282.304 -2.598 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)CCn1cnnn1 ZINC001497949954 893642786 /nfs/dbraw/zinc/64/27/86/893642786.db2.gz XBBNAFYKWGXQMX-SECBINFHSA-N 0 3 294.319 -2.203 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001497894128 893642814 /nfs/dbraw/zinc/64/28/14/893642814.db2.gz FINWWSSUTBWGGY-RKDXNWHRSA-N 0 3 283.332 -1.936 20 30 CAEDHN COCC#CCNC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001498020634 893645116 /nfs/dbraw/zinc/64/51/16/893645116.db2.gz WGXLFQWLLOSMLR-JTQLQIEISA-N 0 3 276.358 -1.225 20 30 CAEDHN CNS(=O)(=O)CC(=O)N[C@H](C)CNCC#CCOC ZINC001497985672 893645329 /nfs/dbraw/zinc/64/53/29/893645329.db2.gz GENYAVIBBPTKHD-SNVBAGLBSA-N 0 3 291.373 -1.720 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)CCOC ZINC001498002562 893645399 /nfs/dbraw/zinc/64/53/99/893645399.db2.gz NYFWEVAZQDRXLF-JTQLQIEISA-N 0 3 255.318 -1.133 20 30 CAEDHN C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1nnc[n-]1 ZINC001497961748 893645622 /nfs/dbraw/zinc/64/56/22/893645622.db2.gz QTBFWLKURHIBSH-MRVPVSSYSA-N 0 3 279.304 -1.919 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498040416 893649198 /nfs/dbraw/zinc/64/91/98/893649198.db2.gz LZVAKYZUMLTNGY-NSHDSACASA-N 0 3 291.355 -1.194 20 30 CAEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001498042229 893649755 /nfs/dbraw/zinc/64/97/55/893649755.db2.gz MGXVRRDXCFPAJL-VHSXEESVSA-N 0 3 298.343 -1.425 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnnn1C ZINC001498038666 893649821 /nfs/dbraw/zinc/64/98/21/893649821.db2.gz SPQNNHSWOFZBMW-VHSXEESVSA-N 0 3 292.343 -1.339 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001498042766 893649857 /nfs/dbraw/zinc/64/98/57/893649857.db2.gz XENPCYNEHDVMSF-ZJUUUORDSA-N 0 3 297.359 -1.723 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)c1n[nH]cc1F ZINC001498106642 893653988 /nfs/dbraw/zinc/65/39/88/893653988.db2.gz RCOBZHXIHYFOGS-ZETCQYMHSA-N 0 3 282.279 -1.104 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001498091338 893654768 /nfs/dbraw/zinc/65/47/68/893654768.db2.gz UBLOZHKLUKEWQG-QWRGUYRKSA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001498091339 893655732 /nfs/dbraw/zinc/65/57/32/893655732.db2.gz UBLOZHKLUKEWQG-WDEREUQCSA-N 0 3 296.371 -1.139 20 30 CAEDHN COCC#CCNC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001498141332 893659585 /nfs/dbraw/zinc/65/95/85/893659585.db2.gz XFXVFMGQGBJJML-JTQLQIEISA-N 0 3 295.339 -1.217 20 30 CAEDHN C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001498158963 893660851 /nfs/dbraw/zinc/66/08/51/893660851.db2.gz MPDFIROVMXRONE-VIFPVBQESA-N 0 3 280.332 -1.256 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)c1cnn(C)n1 ZINC001498139839 893661023 /nfs/dbraw/zinc/66/10/23/893661023.db2.gz ATQLKCWQUGAFPV-VIFPVBQESA-N 0 3 278.316 -1.728 20 30 CAEDHN C#CCNC1(CNC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001499239819 893715267 /nfs/dbraw/zinc/71/52/67/893715267.db2.gz JMBMERUKODOOQS-UHFFFAOYSA-N 0 3 273.358 -1.251 20 30 CAEDHN COCC#CCNC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001499335544 893717278 /nfs/dbraw/zinc/71/72/78/893717278.db2.gz UYYFQUQXJXZDLP-SNVBAGLBSA-N 0 3 280.328 -1.444 20 30 CAEDHN CC#CCNC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001499334438 893718688 /nfs/dbraw/zinc/71/86/88/893718688.db2.gz BYTQQEPRRCLWCU-SECBINFHSA-N 0 3 250.302 -1.071 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C(N)=O ZINC001499920238 893727826 /nfs/dbraw/zinc/72/78/26/893727826.db2.gz BOWYCAJBAMSXQS-UWVGGRQHSA-N 0 3 280.328 -1.810 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500631289 893739246 /nfs/dbraw/zinc/73/92/46/893739246.db2.gz MGJBDGFOBDUFNV-LLVKDONJSA-N 0 3 266.305 -1.588 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500677665 893745586 /nfs/dbraw/zinc/74/55/86/893745586.db2.gz OFVDDLVGBPYBEL-WCQYABFASA-N 0 3 270.329 -1.430 20 30 CAEDHN C=CCN1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001500707813 893749667 /nfs/dbraw/zinc/74/96/67/893749667.db2.gz ZDHQTQOAVUBROL-GWCFXTLKSA-N 0 3 267.329 -1.139 20 30 CAEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001500707814 893752415 /nfs/dbraw/zinc/75/24/15/893752415.db2.gz ZDHQTQOAVUBROL-GXFFZTMASA-N 0 3 267.329 -1.139 20 30 CAEDHN C#CCN1C[C@@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@@H]2C1 ZINC001501219536 893780615 /nfs/dbraw/zinc/78/06/15/893780615.db2.gz NPECKYXDTUCFEE-TXEJJXNPSA-N 0 3 299.396 -1.051 20 30 CAEDHN COCC#CCNCCN(CCO)C(=O)[C@H](C)NC(C)=O ZINC001501433776 893794128 /nfs/dbraw/zinc/79/41/28/893794128.db2.gz PWCFVPPVZCZZER-LBPRGKRZSA-N 0 3 299.371 -1.429 20 30 CAEDHN C[C@@H](C#N)C(=O)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001501442788 893795802 /nfs/dbraw/zinc/79/58/02/893795802.db2.gz FPTKJVDRAVDJHZ-UWVGGRQHSA-N 0 3 296.327 -1.638 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001501468910 893804963 /nfs/dbraw/zinc/80/49/63/893804963.db2.gz CXROYDWWHGXBMT-UHFFFAOYSA-N 0 3 296.371 -2.196 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CC1CS(=O)(=O)C1 ZINC001501469340 893806410 /nfs/dbraw/zinc/80/64/10/893806410.db2.gz LFJCXOWNNKPZMO-UHFFFAOYSA-N 0 3 288.369 -1.535 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001501484298 893807157 /nfs/dbraw/zinc/80/71/57/893807157.db2.gz LQQCUSHDIFREBC-NSHDSACASA-N 0 3 267.329 -1.492 20 30 CAEDHN N#CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC12CC2 ZINC001501495385 893809940 /nfs/dbraw/zinc/80/99/40/893809940.db2.gz LANXRHMTFQKWQH-LLVKDONJSA-N 0 3 294.355 -1.163 20 30 CAEDHN C#CCNCCN(CCO)C(=O)c1cn(C)c(=O)[nH]1 ZINC001501490625 893810799 /nfs/dbraw/zinc/81/07/99/893810799.db2.gz QXTJLJXMFYHBMS-UHFFFAOYSA-N 0 3 266.301 -1.217 20 30 CAEDHN C#CCNCCN(CCO)C(=O)CCc1cn(C)nn1 ZINC001501518797 893814523 /nfs/dbraw/zinc/81/45/23/893814523.db2.gz OJAUCSULGTYXNY-UHFFFAOYSA-N 0 3 279.344 -1.209 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CCO1 ZINC001502058085 893833463 /nfs/dbraw/zinc/83/34/63/893833463.db2.gz LJPQBUOBAZTSHT-GFCCVEGCSA-N 0 3 295.339 -1.705 20 30 CAEDHN C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001502051331 893836085 /nfs/dbraw/zinc/83/60/85/893836085.db2.gz NSQRCCOIQPYHEO-GWCFXTLKSA-N 0 3 285.344 -1.384 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001502081215 893841063 /nfs/dbraw/zinc/84/10/63/893841063.db2.gz MKQRISFWZICSMT-JTQLQIEISA-N 0 3 263.301 -1.121 20 30 CAEDHN C#CCN(C)CCCN(C)C(=O)CNS(=O)(=O)NC ZINC001502357436 893845616 /nfs/dbraw/zinc/84/56/16/893845616.db2.gz VTTTWDLCXIUSAK-UHFFFAOYSA-N 0 3 290.389 -1.546 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001502580707 893850067 /nfs/dbraw/zinc/85/00/67/893850067.db2.gz RVGIVCVWOPXWOZ-FZMZJTMJSA-N 0 3 294.355 -1.414 20 30 CAEDHN C#CCN[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001502560374 893851445 /nfs/dbraw/zinc/85/14/45/893851445.db2.gz QNOZFXGEBODJBK-LBPRGKRZSA-N 0 3 253.302 -1.562 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001502560196 893852285 /nfs/dbraw/zinc/85/22/85/893852285.db2.gz ORAQOHDNJGDVDY-DZGCQCFKSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001502580706 893852353 /nfs/dbraw/zinc/85/23/53/893852353.db2.gz RVGIVCVWOPXWOZ-BXUZGUMPSA-N 0 3 294.355 -1.414 20 30 CAEDHN C=CCNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001502698119 893860451 /nfs/dbraw/zinc/86/04/51/893860451.db2.gz LVSRRCLTRWTSNJ-PWSUYJOCSA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001502698117 893861182 /nfs/dbraw/zinc/86/11/82/893861182.db2.gz LVSRRCLTRWTSNJ-CMPLNLGQSA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001505606916 893884071 /nfs/dbraw/zinc/88/40/71/893884071.db2.gz YBJUWFCKDRIRMD-VHSXEESVSA-N 0 3 295.347 -1.542 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001505606914 893884189 /nfs/dbraw/zinc/88/41/89/893884189.db2.gz YBJUWFCKDRIRMD-NXEZZACHSA-N 0 3 295.347 -1.542 20 30 CAEDHN C[C@@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001505598166 893885658 /nfs/dbraw/zinc/88/56/58/893885658.db2.gz AEEFCZDYSPUPKL-BDAKNGLRSA-N 0 3 293.331 -1.449 20 30 CAEDHN C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001505598168 893886964 /nfs/dbraw/zinc/88/69/64/893886964.db2.gz AEEFCZDYSPUPKL-IUCAKERBSA-N 0 3 293.331 -1.449 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001505671424 893888002 /nfs/dbraw/zinc/88/80/02/893888002.db2.gz RKDUBZVHODOAQD-DTWKUNHWSA-N 0 3 293.331 -1.944 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001505680819 893888840 /nfs/dbraw/zinc/88/88/40/893888840.db2.gz FTNWYJNZHYVUGV-NXEZZACHSA-N 0 3 294.355 -1.516 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001505671426 893891962 /nfs/dbraw/zinc/89/19/62/893891962.db2.gz RKDUBZVHODOAQD-RKDXNWHRSA-N 0 3 293.331 -1.944 20 30 CAEDHN COCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NCC#N)C1 ZINC001506830215 893942499 /nfs/dbraw/zinc/94/24/99/893942499.db2.gz DSJJYQOPFLMCSV-WDEREUQCSA-N 0 3 298.343 -1.522 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C(N)=O ZINC001507020833 893950683 /nfs/dbraw/zinc/95/06/83/893950683.db2.gz AGMRPEMNGGKJTR-JTQLQIEISA-N 0 3 280.328 -1.952 20 30 CAEDHN C#CCN(C)CCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001506977079 893952146 /nfs/dbraw/zinc/95/21/46/893952146.db2.gz KTUCDVHLVZNMKN-JTQLQIEISA-N 0 3 296.327 -1.718 20 30 CAEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001507071342 893954440 /nfs/dbraw/zinc/95/44/40/893954440.db2.gz LISUNRVOYBYXNL-UWVGGRQHSA-N 0 3 255.318 -1.054 20 30 CAEDHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001507105132 893954877 /nfs/dbraw/zinc/95/48/77/893954877.db2.gz GLQXWZDBXVPCJZ-MRVPVSSYSA-N 0 3 293.331 -1.197 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001507111274 893955691 /nfs/dbraw/zinc/95/56/91/893955691.db2.gz SXTMQAZBDDRYIY-GHMZBOCLSA-N 0 3 296.371 -1.316 20 30 CAEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001507071343 893955822 /nfs/dbraw/zinc/95/58/22/893955822.db2.gz LISUNRVOYBYXNL-VHSXEESVSA-N 0 3 255.318 -1.054 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001507050685 893955979 /nfs/dbraw/zinc/95/59/79/893955979.db2.gz XEJFABOHRZHRJN-JTQLQIEISA-N 0 3 295.347 -1.588 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC(N)=O ZINC001507061767 893956761 /nfs/dbraw/zinc/95/67/61/893956761.db2.gz XACDALCOSJGJRN-ZJUUUORDSA-N 0 3 282.344 -1.564 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001507151115 893961750 /nfs/dbraw/zinc/96/17/50/893961750.db2.gz GEAOVISMMKRKGW-QWRGUYRKSA-N 0 3 294.355 -1.549 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001507151114 893961898 /nfs/dbraw/zinc/96/18/98/893961898.db2.gz GEAOVISMMKRKGW-MNOVXSKESA-N 0 3 294.355 -1.549 20 30 CAEDHN C[C@@H](CN(C)C(=O)Cn1ccnc1)NCC(=O)NCC#N ZINC001507164164 893962711 /nfs/dbraw/zinc/96/27/11/893962711.db2.gz 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656737133 /nfs/dbraw/zinc/73/71/33/656737133.db2.gz RTIYSVCCEBGCKL-NSHDSACASA-N 0 3 253.350 -1.067 20 30 CAEDHN C=CCN1CC[C@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035035944 656752825 /nfs/dbraw/zinc/75/28/25/656752825.db2.gz XPMGOHHAUMDQPF-MNOVXSKESA-N 0 3 294.355 -1.161 20 30 CAEDHN C=CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035035943 656753428 /nfs/dbraw/zinc/75/34/28/656753428.db2.gz XPMGOHHAUMDQPF-GHMZBOCLSA-N 0 3 294.355 -1.161 20 30 CAEDHN N#C[C@]12CN(C[C@H]3CNCCO3)C[C@H]1CS(=O)(=O)C2 ZINC000923531742 656806432 /nfs/dbraw/zinc/80/64/32/656806432.db2.gz UKPKZCZQPHCAFT-QJPTWQEYSA-N 0 3 285.369 -1.155 20 30 CAEDHN C=CCn1cc(CNS(=O)(=O)C2CNC2)nn1 ZINC000923650525 656812571 /nfs/dbraw/zinc/81/25/71/656812571.db2.gz OQZWMFWDYBQERA-UHFFFAOYSA-N 0 3 257.319 -1.145 20 30 CAEDHN N#CCCN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923665972 656813365 /nfs/dbraw/zinc/81/33/65/656813365.db2.gz JGBJEEMUDYGWKA-UHFFFAOYSA-N 0 3 258.347 -1.181 20 30 CAEDHN C=CCN(CCOC)C(=O)C(=O)N1CCNCCNCC1 ZINC000926358231 656823014 /nfs/dbraw/zinc/82/30/14/656823014.db2.gz NSYCECSIHCBKPZ-UHFFFAOYSA-N 0 3 298.387 -1.331 20 30 CAEDHN N#Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c[nH]1 ZINC000957979009 656937948 /nfs/dbraw/zinc/93/79/48/656937948.db2.gz KPZGPFWNRMHERX-CMPLNLGQSA-N 0 3 278.312 -1.099 20 30 CAEDHN N#Cc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]1 ZINC000957985950 656938627 /nfs/dbraw/zinc/93/86/27/656938627.db2.gz LGMQBXRJADJJJT-BXKDBHETSA-N 0 3 278.312 -1.099 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015001946 657159007 /nfs/dbraw/zinc/15/90/07/657159007.db2.gz XNPUUHWUBUWHNC-ZDUSSCGKSA-N 0 3 292.383 -1.026 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770046 657186533 /nfs/dbraw/zinc/18/65/33/657186533.db2.gz KVWDBTRUASCTAY-ZJUUUORDSA-N 0 3 278.312 -1.202 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865643 657190227 /nfs/dbraw/zinc/19/02/27/657190227.db2.gz CEJDGZDIKCVXLQ-JTQLQIEISA-N 0 3 278.312 -1.248 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200333 657200086 /nfs/dbraw/zinc/20/00/86/657200086.db2.gz UTJWJKFQEQHXFT-JTQLQIEISA-N 0 3 278.312 -1.248 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200334 657200338 /nfs/dbraw/zinc/20/03/38/657200338.db2.gz UTJWJKFQEQHXFT-SNVBAGLBSA-N 0 3 278.312 -1.248 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016282990 657205737 /nfs/dbraw/zinc/20/57/37/657205737.db2.gz FQYFCIZKLODTIS-QWRGUYRKSA-N 0 3 285.369 -1.108 20 30 CAEDHN C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647109 657237862 /nfs/dbraw/zinc/23/78/62/657237862.db2.gz QKRGXNGMKIUTET-QWRGUYRKSA-N 0 3 294.355 -1.161 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001018903998 657250228 /nfs/dbraw/zinc/25/02/28/657250228.db2.gz QFQZLCHJWNBUAD-JTQLQIEISA-N 0 3 256.327 -1.145 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001018939709 657252202 /nfs/dbraw/zinc/25/22/02/657252202.db2.gz UPQPWSXOVUGIAF-NSHDSACASA-N 0 3 285.369 -1.154 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001019461231 657268265 /nfs/dbraw/zinc/26/82/65/657268265.db2.gz KKPMXQFITUAIRH-JTQLQIEISA-N 0 3 290.323 -1.479 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001019498595 657270528 /nfs/dbraw/zinc/27/05/28/657270528.db2.gz IUNMFAGNCTZBFX-QWRGUYRKSA-N 0 3 285.369 -1.156 20 30 CAEDHN C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019482888 657271089 /nfs/dbraw/zinc/27/10/89/657271089.db2.gz BFXPDKUYTZALML-VIFPVBQESA-N 0 3 278.316 -1.247 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820235 657279172 /nfs/dbraw/zinc/27/91/72/657279172.db2.gz BLZCUAMFAAXGLF-VIFPVBQESA-N 0 3 276.300 -1.799 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892322 657281442 /nfs/dbraw/zinc/28/14/42/657281442.db2.gz FJPWGZGFTFUOGZ-UWVGGRQHSA-N 0 3 263.297 -1.137 20 30 CAEDHN C=CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045177287 782413531 /nfs/dbraw/zinc/41/35/31/782413531.db2.gz XPMGOHHAUMDQPF-WDEREUQCSA-N 0 3 294.355 -1.161 20 30 CAEDHN CC#CCN1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057563 782432594 /nfs/dbraw/zinc/43/25/94/782432594.db2.gz QJKVIBCPTWPRSM-LBPRGKRZSA-N 0 3 278.356 -1.287 20 30 CAEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057562 782432628 /nfs/dbraw/zinc/43/26/28/782432628.db2.gz QJKVIBCPTWPRSM-GFCCVEGCSA-N 0 3 278.356 -1.287 20 30 CAEDHN C#CCN1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046059010 782433639 /nfs/dbraw/zinc/43/36/39/782433639.db2.gz XESFJHYWBQMIQY-NSHDSACASA-N 0 3 264.329 -1.677 20 30 CAEDHN C#CCN1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046059009 782433855 /nfs/dbraw/zinc/43/38/55/782433855.db2.gz XESFJHYWBQMIQY-LLVKDONJSA-N 0 3 264.329 -1.677 20 30 CAEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381657 782470254 /nfs/dbraw/zinc/47/02/54/782470254.db2.gz PQXOZLIRAGFOIH-QWRGUYRKSA-N 0 3 280.332 -1.247 20 30 CAEDHN C#CCN1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC001048976829 782522680 /nfs/dbraw/zinc/52/26/80/782522680.db2.gz RMILIRLUPUNWLR-BETUJISGSA-N 0 3 290.367 -1.558 20 30 CAEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001049019310 782524262 /nfs/dbraw/zinc/52/42/62/782524262.db2.gz QYFQHXAVZMIFTK-OUAUKWLOSA-N 0 3 262.313 -1.309 20 30 CAEDHN C#CCN1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001048991503 782524995 /nfs/dbraw/zinc/52/49/95/782524995.db2.gz YQRRXPJOWBJLFW-AOOOYVTPSA-N 0 3 260.301 -1.153 20 30 CAEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 ZINC001049087406 782529873 /nfs/dbraw/zinc/52/98/73/782529873.db2.gz OGTTWTYGIYHLTK-AXFHLTTASA-N 0 3 290.323 -1.392 20 30 CAEDHN C#CCO[C@@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001127045548 775844602 /nfs/dbraw/zinc/84/46/02/775844602.db2.gz DLZALOXKWVPPJG-UWVGGRQHSA-N 0 3 253.302 -1.381 20 30 CAEDHN CNC(=O)NC(=O)CNCCNC(=O)CSCC#N ZINC001123792358 775980344 /nfs/dbraw/zinc/98/03/44/775980344.db2.gz UFKYCSLVZJUJEP-UHFFFAOYSA-N 0 3 287.345 -1.595 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)COCC(F)F ZINC001131765572 776701582 /nfs/dbraw/zinc/70/15/82/776701582.db2.gz CFZLTFMCEAOVGF-UHFFFAOYSA-N 0 3 278.259 -1.386 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)Cc1cnoc1 ZINC001132739243 776749481 /nfs/dbraw/zinc/74/94/81/776749481.db2.gz ODUOFDUDNNAWHB-UHFFFAOYSA-N 0 3 265.273 -1.437 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715757 776749954 /nfs/dbraw/zinc/74/99/54/776749954.db2.gz YLGJJOHZKXNGLI-AWEZNQCLSA-N 0 3 294.355 -1.642 20 30 CAEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284460458 777944511 /nfs/dbraw/zinc/94/45/11/777944511.db2.gz SLDRJEOYCGHUOY-LLVKDONJSA-N 0 3 295.343 -1.513 20 30 CAEDHN C#CCCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC001120420623 779635762 /nfs/dbraw/zinc/63/57/62/779635762.db2.gz MIDVGTKEVIAVGB-UHFFFAOYSA-N 0 3 280.372 -1.073 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001120583350 779643173 /nfs/dbraw/zinc/64/31/73/779643173.db2.gz PDZCAKBRFNZPTG-CMPLNLGQSA-N 0 3 258.318 -1.219 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123040610 779678625 /nfs/dbraw/zinc/67/86/25/779678625.db2.gz PJZZNNNIMTXNMN-UHFFFAOYSA-N 0 3 277.284 -1.721 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123041586 779678637 /nfs/dbraw/zinc/67/86/37/779678637.db2.gz ZLTKPWMVFVGVMW-UHFFFAOYSA-N 0 3 276.296 -1.611 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(C)=O ZINC001123082668 779679319 /nfs/dbraw/zinc/67/93/19/779679319.db2.gz LCBMUBVGSKVFBD-UWVGGRQHSA-N 0 3 282.344 -1.645 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123092304 779679377 /nfs/dbraw/zinc/67/93/77/779679377.db2.gz WQUFBJGLYYGWOC-UHFFFAOYSA-N 0 3 278.272 -1.859 20 30 CAEDHN C#CCN(CC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445713 779839301 /nfs/dbraw/zinc/83/93/01/779839301.db2.gz GWDGTPBBYABGIF-SNVBAGLBSA-N 0 3 292.343 -1.163 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)CN(C)C(C)=O)C1=O ZINC001123814538 779694589 /nfs/dbraw/zinc/69/45/89/779694589.db2.gz AXOBSPYFDQEFRE-GFCCVEGCSA-N 0 3 296.371 -1.043 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)OC ZINC001124187121 779706098 /nfs/dbraw/zinc/70/60/98/779706098.db2.gz YHPDIIFYKQTSIF-VIFPVBQESA-N 0 3 286.332 -1.261 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)OC ZINC001124186234 779706172 /nfs/dbraw/zinc/70/61/72/779706172.db2.gz BXIPNIYYXCAWHB-SECBINFHSA-N 0 3 284.316 -1.814 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1ccon1 ZINC001124187174 779706360 /nfs/dbraw/zinc/70/63/60/779706360.db2.gz ZZUARHITIFTXFI-UHFFFAOYSA-N 0 3 251.246 -1.366 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnns1 ZINC001124182097 779706401 /nfs/dbraw/zinc/70/64/01/779706401.db2.gz QBMAQHXZELTSLW-MRVPVSSYSA-N 0 3 281.341 -1.005 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(N)=O ZINC001150431720 779794312 /nfs/dbraw/zinc/79/43/12/779794312.db2.gz FJVYPUVNAUXOLD-SECBINFHSA-N 0 3 283.332 -2.112 20 30 CAEDHN CC#CCNCCNC(=O)c1nccnc1C(N)=O ZINC001150444296 779794395 /nfs/dbraw/zinc/79/43/95/779794395.db2.gz LUZSNIGVGMINKK-UHFFFAOYSA-N 0 3 261.285 -1.082 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)CCNC(N)=O ZINC001150431721 779794490 /nfs/dbraw/zinc/79/44/90/779794490.db2.gz FJVYPUVNAUXOLD-VIFPVBQESA-N 0 3 283.332 -2.112 20 30 CAEDHN COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)C[C@@H]1N ZINC001239136447 780533167 /nfs/dbraw/zinc/53/31/67/780533167.db2.gz SLJUJDJTKOQYCD-RNJXMRFFSA-N 0 3 261.303 -1.340 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001278630658 780574133 /nfs/dbraw/zinc/57/41/33/780574133.db2.gz LRUSELUNBMPJGH-SNVBAGLBSA-N 0 3 296.371 -1.009 20 30 CAEDHN C#CCOC[C@@H](O)CNC1(C(N)=O)CCOCC1 ZINC001251891083 780578661 /nfs/dbraw/zinc/57/86/61/780578661.db2.gz LKWNCDZZRZSRHN-JTQLQIEISA-N 0 3 256.302 -1.379 20 30 CAEDHN C#CCOC[C@@H](O)CN1CC(N2CCN(C)CC2)C1 ZINC001251858487 780578734 /nfs/dbraw/zinc/57/87/34/780578734.db2.gz ZEYNWRQIKSIKPL-AWEZNQCLSA-N 0 3 267.373 -1.071 20 30 CAEDHN C#CCOC[C@H](O)CN1CC(N2CCN(C)CC2)C1 ZINC001251858488 780578747 /nfs/dbraw/zinc/57/87/47/780578747.db2.gz ZEYNWRQIKSIKPL-CQSZACIVSA-N 0 3 267.373 -1.071 20 30 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ZINC001268081747 775375856 /nfs/dbraw/zinc/37/58/56/775375856.db2.gz WFBXREGUTDXOBT-VIFPVBQESA-N 0 3 295.343 -1.672 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C1CN(C(C)=O)C1 ZINC001126301902 775377855 /nfs/dbraw/zinc/37/78/55/775377855.db2.gz KTRGXDZBLXGBMM-JTQLQIEISA-N 0 3 294.355 -1.692 20 30 CAEDHN C=CCn1cc(C(=O)N(C)[C@H](C)CNCC(N)=O)nn1 ZINC001268090446 775378240 /nfs/dbraw/zinc/37/82/40/775378240.db2.gz UQSSQIDIZGMELH-SECBINFHSA-N 0 3 280.332 -1.001 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C1CN(C(C)=O)C1 ZINC001126302103 775378587 /nfs/dbraw/zinc/37/85/87/775378587.db2.gz UBGVUDVWDLOPFJ-JTQLQIEISA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)n(C)o1 ZINC001126306328 775379565 /nfs/dbraw/zinc/37/95/65/775379565.db2.gz FEZASMPVKJFWQK-VIFPVBQESA-N 0 3 296.327 -1.012 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)CC ZINC001282113505 775381864 /nfs/dbraw/zinc/38/18/64/775381864.db2.gz PBEPQJZXTXYMBK-WDEREUQCSA-N 0 3 296.371 -1.255 20 30 CAEDHN C#CCCCC(=O)NCCNCC(=O)NC(=O)NC ZINC001126338481 775391446 /nfs/dbraw/zinc/39/14/46/775391446.db2.gz BXPAHLOXUKDDHM-UHFFFAOYSA-N 0 3 268.317 -1.049 20 30 CAEDHN C[C@H](NC[C@H](O)CNC(=O)CSCC#N)C(N)=O ZINC001268296792 775393353 /nfs/dbraw/zinc/39/33/53/775393353.db2.gz CRVOIKSHXGCEPN-YUMQZZPRSA-N 0 3 274.346 -1.816 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001268304247 775394425 /nfs/dbraw/zinc/39/44/25/775394425.db2.gz IWIYIUVTHCJJCC-GFCCVEGCSA-N 0 3 277.324 -1.784 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001268300898 775394495 /nfs/dbraw/zinc/39/44/95/775394495.db2.gz KEQVECBRIFUPFW-GHMZBOCLSA-N 0 3 298.343 -1.738 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001268300908 775394556 /nfs/dbraw/zinc/39/45/56/775394556.db2.gz KEQVECBRIFUPFW-MNOVXSKESA-N 0 3 298.343 -1.738 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CNC(=O)c1cnsn1 ZINC001268300598 775395311 /nfs/dbraw/zinc/39/53/11/775395311.db2.gz QAXXQIVCQWHCTA-QMMMGPOBSA-N 0 3 299.356 -1.479 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001268303775 775395672 /nfs/dbraw/zinc/39/56/72/775395672.db2.gz HVKPGHGSVLNVIB-GFCCVEGCSA-N 0 3 295.339 -1.851 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C#CC(C)C ZINC001268303871 775395741 /nfs/dbraw/zinc/39/57/41/775395741.db2.gz DYZMUTMESNMRAZ-QWHCGFSZSA-N 0 3 293.367 -1.150 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001268305695 775395846 /nfs/dbraw/zinc/39/58/46/775395846.db2.gz SRRXNEFVLKJVHY-SFYZADRCSA-N 0 3 290.270 -1.652 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C#CC(C)C ZINC001268303872 775396521 /nfs/dbraw/zinc/39/65/21/775396521.db2.gz DYZMUTMESNMRAZ-STQMWFEESA-N 0 3 293.367 -1.150 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)C#CC(C)C ZINC001268303552 775396621 /nfs/dbraw/zinc/39/66/21/775396621.db2.gz BCRUAEJMIJKQSC-LBPRGKRZSA-N 0 3 279.340 -1.538 20 30 CAEDHN CC[C@H](NC[C@@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001268305289 775396812 /nfs/dbraw/zinc/39/68/12/775396812.db2.gz QOOUTYLARUBSPJ-MNOVXSKESA-N 0 3 267.329 -1.270 20 30 CAEDHN N#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001268305696 775397178 /nfs/dbraw/zinc/39/71/78/775397178.db2.gz SRRXNEFVLKJVHY-YUMQZZPRSA-N 0 3 290.270 -1.652 20 30 CAEDHN CC(C)C#CC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001268306677 775398142 /nfs/dbraw/zinc/39/81/42/775398142.db2.gz XVNZAAFWLSZWBV-ZJUUUORDSA-N 0 3 298.343 -1.704 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001268307752 775398656 /nfs/dbraw/zinc/39/86/56/775398656.db2.gz JVIGBFCMTXWRCM-NSHDSACASA-N 0 3 278.312 -1.556 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268319257 775401006 /nfs/dbraw/zinc/40/10/06/775401006.db2.gz GQUMQLAYOCCDIF-RYUDHWBXSA-N 0 3 297.355 -1.819 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001268319259 775401255 /nfs/dbraw/zinc/40/12/55/775401255.db2.gz GQUMQLAYOCCDIF-VXGBXAGGSA-N 0 3 297.355 -1.819 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001268326570 775402912 /nfs/dbraw/zinc/40/29/12/775402912.db2.gz XWGDPYXIIPTFAH-NSHDSACASA-N 0 3 293.327 -2.232 20 30 CAEDHN C=CCN1CC[C@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268322365 775403266 /nfs/dbraw/zinc/40/32/66/775403266.db2.gz LJURYLYMRVHRPK-IUCAKERBSA-N 0 3 284.316 -2.675 20 30 CAEDHN COCC#CCNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001268331328 775404886 /nfs/dbraw/zinc/40/48/86/775404886.db2.gz HYOMYNJKWIYRGT-LLVKDONJSA-N 0 3 281.316 -2.005 20 30 CAEDHN COCC#CCNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001268331329 775405667 /nfs/dbraw/zinc/40/56/67/775405667.db2.gz HYOMYNJKWIYRGT-NSHDSACASA-N 0 3 281.316 -2.005 20 30 CAEDHN N#CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001268334759 775406829 /nfs/dbraw/zinc/40/68/29/775406829.db2.gz MJVUPDFKXRETHN-LLVKDONJSA-N 0 3 293.327 -1.736 20 30 CAEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207688481 775414296 /nfs/dbraw/zinc/41/42/96/775414296.db2.gz PPMIAPKBIOCARX-IUCAKERBSA-N 0 3 281.316 -1.078 20 30 CAEDHN CCCN(C)CC(=O)NC1CN(CC(=O)NCC#N)C1 ZINC001268474700 775419318 /nfs/dbraw/zinc/41/93/18/775419318.db2.gz PZXBTUSXKGFBTG-UHFFFAOYSA-N 0 3 281.360 -1.232 20 30 CAEDHN C=C[C@@](C)(O)CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001126364771 775421431 /nfs/dbraw/zinc/42/14/31/775421431.db2.gz BPDRPMCLNPYZBS-CQSZACIVSA-N 0 3 299.371 -1.122 20 30 CAEDHN C=C[C@](C)(O)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001126365917 775421911 /nfs/dbraw/zinc/42/19/11/775421911.db2.gz OJNKEKWUMPSOGV-SKDRFNHKSA-N 0 3 255.318 -1.092 20 30 CAEDHN C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC(=O)NC ZINC001126365457 775424685 /nfs/dbraw/zinc/42/46/85/775424685.db2.gz JUNYZMRATUVBHB-GFCCVEGCSA-N 0 3 286.332 -1.525 20 30 CAEDHN CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)N1 ZINC001268493804 775424728 /nfs/dbraw/zinc/42/47/28/775424728.db2.gz VMCHOTAIAYWBCI-JTQLQIEISA-N 0 3 295.343 -1.657 20 30 CAEDHN C=C[C@@](C)(O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126366738 775424789 /nfs/dbraw/zinc/42/47/89/775424789.db2.gz ZDJRUPQGVVFMBW-TVQRCGJNSA-N 0 3 283.328 -1.176 20 30 CAEDHN C[C@@H](C#N)C(=O)NC/C=C/CNCCNS(C)(=O)=O ZINC001268517984 775426032 /nfs/dbraw/zinc/42/60/32/775426032.db2.gz DQFWPVHMNNVDRN-FSIBCCDJSA-N 0 3 288.373 -1.043 20 30 CAEDHN C[C@H](C#N)C(=O)NC/C=C\CNCCNS(C)(=O)=O ZINC001268517986 775426358 /nfs/dbraw/zinc/42/63/58/775426358.db2.gz DQFWPVHMNNVDRN-UMBAGQNISA-N 0 3 288.373 -1.043 20 30 CAEDHN C=C[C@](C)(O)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126385914 775437019 /nfs/dbraw/zinc/43/70/19/775437019.db2.gz ZUHSTZICPHERCV-PELKAZGASA-N 0 3 286.332 -1.397 20 30 CAEDHN C=C[C@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126385921 775437207 /nfs/dbraw/zinc/43/72/07/775437207.db2.gz ZUHSTZICPHERCV-UFBFGSQYSA-N 0 3 286.332 -1.397 20 30 CAEDHN C#CCNC/C=C/CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268596589 775456119 /nfs/dbraw/zinc/45/61/19/775456119.db2.gz NRMZAJHWXLIROT-ZWNMCFTASA-N 0 3 280.328 -1.738 20 30 CAEDHN C#CCNC/C=C\CNC(=O)CN1C(=O)CNC1=O ZINC001268623091 775460177 /nfs/dbraw/zinc/46/01/77/775460177.db2.gz JGPAYKRVQHVJRF-ARJAWSKDSA-N 0 3 264.285 -1.567 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)CN1CCOCC1 ZINC001268642041 775460665 /nfs/dbraw/zinc/46/06/65/775460665.db2.gz IDBRKCKXQSACOM-GFCCVEGCSA-N 0 3 296.371 -1.838 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)CC1OCCCO1 ZINC001268643037 775460686 /nfs/dbraw/zinc/46/06/86/775460686.db2.gz SRPRAQLUTPCVMX-LLVKDONJSA-N 0 3 297.355 -1.017 20 30 CAEDHN CO[C@H](C)C(=O)N[C@H](C)CNCC(=O)NCC#N ZINC001268639407 775460751 /nfs/dbraw/zinc/46/07/51/775460751.db2.gz JVASWOQTSUSIKV-RKDXNWHRSA-N 0 3 256.306 -1.245 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)Cc1ccnn1C ZINC001126393281 775460775 /nfs/dbraw/zinc/46/07/75/775460775.db2.gz PXBMFFZGCLYEAY-UHFFFAOYSA-N 0 3 279.344 -1.029 20 30 CAEDHN CC(=O)N1CC(C(=O)N[C@H](C)CNCC(=O)NCC#N)C1 ZINC001268641941 775460802 /nfs/dbraw/zinc/46/08/02/775460802.db2.gz LNOZOSVRCDGHQL-SECBINFHSA-N 0 3 295.343 -1.801 20 30 CAEDHN CO[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NCC#N ZINC001268639405 775461442 /nfs/dbraw/zinc/46/14/42/775461442.db2.gz JVASWOQTSUSIKV-BDAKNGLRSA-N 0 3 256.306 -1.245 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CNC(=O)CC ZINC001268638992 775461726 /nfs/dbraw/zinc/46/17/26/775461726.db2.gz CDUVJMCSJXDKPN-GHMZBOCLSA-N 0 3 296.371 -1.255 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001268636323 775461881 /nfs/dbraw/zinc/46/18/81/775461881.db2.gz UPIUFKUUQDIKSG-ZJUUUORDSA-N 0 3 284.360 -1.093 20 30 CAEDHN CCOCC(=O)N[C@H](C)CNCC(=O)NCC#N ZINC001268636128 775461956 /nfs/dbraw/zinc/46/19/56/775461956.db2.gz QKKROTLUFZFIAP-SECBINFHSA-N 0 3 256.306 -1.243 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnn(C)c1N ZINC001268643013 775462056 /nfs/dbraw/zinc/46/20/56/775462056.db2.gz RTGVBAYTKRFJDF-MRVPVSSYSA-N 0 3 293.331 -1.650 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001268640350 775462069 /nfs/dbraw/zinc/46/20/69/775462069.db2.gz AHHJJQODWIEPPM-SNVBAGLBSA-N 0 3 296.371 -1.139 20 30 CAEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001268643746 775462100 /nfs/dbraw/zinc/46/21/00/775462100.db2.gz ANYKDLLCYJVGEB-NXEZZACHSA-N 0 3 269.301 -1.161 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)Cn1ncnn1 ZINC001268645770 775462613 /nfs/dbraw/zinc/46/26/13/775462613.db2.gz VSEYNOODIPTANG-MRVPVSSYSA-N 0 3 280.292 -2.593 20 30 CAEDHN COCC#CCNC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268657378 775463155 /nfs/dbraw/zinc/46/31/55/775463155.db2.gz TWIQVAGHYVJLEE-GFCCVEGCSA-N 0 3 296.371 -1.838 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001268657789 775463464 /nfs/dbraw/zinc/46/34/64/775463464.db2.gz INTPAENHFHGXHQ-BDAKNGLRSA-N 0 3 293.331 -1.944 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)[C@H]1CCNC1=O ZINC001268657538 775463635 /nfs/dbraw/zinc/46/36/35/775463635.db2.gz ZXCCSNBFQZHMGO-BDAKNGLRSA-N 0 3 281.316 -2.143 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H](C)CC(N)=O ZINC001268656841 775463750 /nfs/dbraw/zinc/46/37/50/775463750.db2.gz FQYKUCUOUMBJAE-DTWKUNHWSA-N 0 3 283.332 -1.768 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001268657399 775463921 /nfs/dbraw/zinc/46/39/21/775463921.db2.gz UIFYBZCGWFNKJZ-NXEZZACHSA-N 0 3 282.344 -1.481 20 30 CAEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268662086 775464455 /nfs/dbraw/zinc/46/44/55/775464455.db2.gz WLOAIBZIZBIJII-MXWKQRLJSA-N 0 3 267.329 -1.148 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268661889 775464695 /nfs/dbraw/zinc/46/46/95/775464695.db2.gz NSCJBNSFPFTVFV-BBBLOLIVSA-N 0 3 280.328 -2.049 20 30 CAEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)Cc1ncc[nH]1 ZINC001268667087 775464841 /nfs/dbraw/zinc/46/48/41/775464841.db2.gz HODWIXJKLKQPSM-SECBINFHSA-N 0 3 278.316 -1.314 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)Cc1nonc1C ZINC001268667881 775465128 /nfs/dbraw/zinc/46/51/28/775465128.db2.gz ALIWUCVMBSAZSU-SECBINFHSA-N 0 3 293.327 -1.236 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)c1ccnnc1 ZINC001268663029 775465610 /nfs/dbraw/zinc/46/56/10/775465610.db2.gz CFCWDTLXBVANCX-SNVBAGLBSA-N 0 3 275.312 -1.066 20 30 CAEDHN C=CCOCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001268680991 775466362 /nfs/dbraw/zinc/46/63/62/775466362.db2.gz CBFKXAGCCZMZRS-VIFPVBQESA-N 0 3 286.332 -1.261 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)c1cn[nH]c1 ZINC001268678374 775466482 /nfs/dbraw/zinc/46/64/82/775466482.db2.gz FXPVEEWZGLVSOT-QMMMGPOBSA-N 0 3 264.289 -1.243 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001268682427 775466827 /nfs/dbraw/zinc/46/68/27/775466827.db2.gz MKIBJWKRJGSONC-GARJFASQSA-N 0 3 294.355 -1.503 20 30 CAEDHN COCC#CCNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001268688389 775467184 /nfs/dbraw/zinc/46/71/84/775467184.db2.gz FVMCDCVIGVZVNC-JTQLQIEISA-N 0 3 266.305 -1.583 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)CC1OCCCO1 ZINC001268684692 775467234 /nfs/dbraw/zinc/46/72/34/775467234.db2.gz SRPRAQLUTPCVMX-NSHDSACASA-N 0 3 297.355 -1.017 20 30 CAEDHN C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnc[n-]c1=O ZINC001268692116 775467941 /nfs/dbraw/zinc/46/79/41/775467941.db2.gz YOFUNSFZDLGZTD-QMMMGPOBSA-N 0 3 292.299 -1.470 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)c1nnn(C)n1 ZINC001268699488 775468176 /nfs/dbraw/zinc/46/81/76/775468176.db2.gz ICAJCJMGKTVUFF-ZETCQYMHSA-N 0 3 280.292 -2.442 20 30 CAEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)c1csnn1 ZINC001268697109 775469031 /nfs/dbraw/zinc/46/90/31/775469031.db2.gz FQRWXDNGFDYZSI-ZETCQYMHSA-N 0 3 282.329 -1.114 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnon1 ZINC001268708847 775469729 /nfs/dbraw/zinc/46/97/29/775469729.db2.gz GNYHHXZKVORZIR-IUCAKERBSA-N 0 3 279.300 -1.085 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001268701105 775469920 /nfs/dbraw/zinc/46/99/20/775469920.db2.gz YEKNXEJRFXYXMI-VIFPVBQESA-N 0 3 280.328 -1.904 20 30 CAEDHN C#CCNC(=O)CNC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001269056514 775487893 /nfs/dbraw/zinc/48/78/93/775487893.db2.gz NCZXTKIMVHGKCB-SNVBAGLBSA-N 0 3 280.328 -1.904 20 30 CAEDHN C#CCNC(=O)CNC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001269056513 775488019 /nfs/dbraw/zinc/48/80/19/775488019.db2.gz NCZXTKIMVHGKCB-JTQLQIEISA-N 0 3 280.328 -1.904 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001269108867 775490230 /nfs/dbraw/zinc/49/02/30/775490230.db2.gz ARYUUIPXJCLPTQ-WPRPVWTQSA-N 0 3 280.328 -1.906 20 30 CAEDHN CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)C#CC1CC1 ZINC001284404275 775490367 /nfs/dbraw/zinc/49/03/67/775490367.db2.gz WXLLJMRCXBINBR-LBPRGKRZSA-N 0 3 292.339 -1.552 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001269108864 775491057 /nfs/dbraw/zinc/49/10/57/775491057.db2.gz ARYUUIPXJCLPTQ-PSASIEDQSA-N 0 3 280.328 -1.906 20 30 CAEDHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NCC#N ZINC001269461499 775508427 /nfs/dbraw/zinc/50/84/27/775508427.db2.gz VCYGTXHUHRTASB-BDAKNGLRSA-N 0 3 296.331 -2.208 20 30 CAEDHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NCC#N ZINC001269461501 775508734 /nfs/dbraw/zinc/50/87/34/775508734.db2.gz VCYGTXHUHRTASB-DTWKUNHWSA-N 0 3 296.331 -2.208 20 30 CAEDHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)NCC#N ZINC001269491013 775510799 /nfs/dbraw/zinc/51/07/99/775510799.db2.gz ANDRLUHNAUTGCH-VIFPVBQESA-N 0 3 293.331 -1.529 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CCc1ncc[nH]1 ZINC001126437303 775519989 /nfs/dbraw/zinc/51/99/89/775519989.db2.gz YQKSHIHSEQONSL-UHFFFAOYSA-N 0 3 278.316 -1.312 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C1CCC(O)CC1 ZINC001126452826 775524666 /nfs/dbraw/zinc/52/46/66/775524666.db2.gz JHBALTHUVPGGKW-UHFFFAOYSA-N 0 3 281.356 -1.007 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CC(C)(C)O ZINC001126467136 775535373 /nfs/dbraw/zinc/53/53/73/775535373.db2.gz FJGAMIMQUHJLSR-SNVBAGLBSA-N 0 3 269.345 -1.009 20 30 CAEDHN Cc1ccnc(C(=O)NCCNCC(=O)NCC#N)n1 ZINC001126472064 775538264 /nfs/dbraw/zinc/53/82/64/775538264.db2.gz XDRUQSXHPHTBGD-UHFFFAOYSA-N 0 3 276.300 -1.256 20 30 CAEDHN N#CCNC(=O)CNC1(CNC(=O)CC(N)=O)CCCC1 ZINC001270728002 775543989 /nfs/dbraw/zinc/54/39/89/775543989.db2.gz POMHEILTNGJZDK-UHFFFAOYSA-N 0 3 295.343 -1.480 20 30 CAEDHN CO[C@@H](C(=O)NCCNCC(=O)NCC#N)C1CC1 ZINC001126487015 775549269 /nfs/dbraw/zinc/54/92/69/775549269.db2.gz PDTVBQWTIHAPPG-LLVKDONJSA-N 0 3 268.317 -1.243 20 30 CAEDHN COCC(=O)N(C)[C@H](C)CNCC(=O)NCC#N ZINC001270870091 775554991 /nfs/dbraw/zinc/55/49/91/775554991.db2.gz IYPWETDHWXQAFK-SECBINFHSA-N 0 3 256.306 -1.291 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001270878547 775555409 /nfs/dbraw/zinc/55/54/09/775555409.db2.gz VQKLRZUYBGXGIA-MNOVXSKESA-N 0 3 296.371 -1.303 20 30 CAEDHN C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CNC(C)=O ZINC001270878548 775555545 /nfs/dbraw/zinc/55/55/45/775555545.db2.gz VQKLRZUYBGXGIA-QWRGUYRKSA-N 0 3 296.371 -1.303 20 30 CAEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC(N)=O ZINC001270921216 775560089 /nfs/dbraw/zinc/56/00/89/775560089.db2.gz GUIRPTHBGFJJJU-UWVGGRQHSA-N 0 3 284.360 -1.011 20 30 CAEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001271067875 775564708 /nfs/dbraw/zinc/56/47/08/775564708.db2.gz LOHHLVKBROHXIO-SNVBAGLBSA-N 0 3 280.332 -1.090 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCNC1=O ZINC001271068922 775566797 /nfs/dbraw/zinc/56/67/97/775566797.db2.gz VCFRAVGGUWCCDC-QWRGUYRKSA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCNC1=O ZINC001271068923 775567138 /nfs/dbraw/zinc/56/71/38/775567138.db2.gz VCFRAVGGUWCCDC-WDEREUQCSA-N 0 3 296.371 -1.139 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCNC1=O ZINC001271068921 775567448 /nfs/dbraw/zinc/56/74/48/775567448.db2.gz VCFRAVGGUWCCDC-MNOVXSKESA-N 0 3 296.371 -1.139 20 30 CAEDHN Cn1nncc1C(=O)NCCNCC(=O)NCC#N ZINC001126541011 775571507 /nfs/dbraw/zinc/57/15/07/775571507.db2.gz NTJMDKNJNRLYBO-UHFFFAOYSA-N 0 3 265.277 -2.226 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548490 775578075 /nfs/dbraw/zinc/57/80/75/775578075.db2.gz MJPXDJZEPGZJEH-MRVPVSSYSA-N 0 3 270.289 -1.897 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126549065 775578446 /nfs/dbraw/zinc/57/84/46/775578446.db2.gz WPNAQLSOLGQBAB-MRVPVSSYSA-N 0 3 268.273 -2.450 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559267 775585557 /nfs/dbraw/zinc/58/55/57/775585557.db2.gz COHQGHWHQUUNSE-BDAKNGLRSA-N 0 3 282.300 -2.062 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126561468 775587264 /nfs/dbraw/zinc/58/72/64/775587264.db2.gz QCDXGMPCMYFHRX-IUCAKERBSA-N 0 3 284.316 -1.509 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126561465 775587374 /nfs/dbraw/zinc/58/73/74/775587374.db2.gz QCDXGMPCMYFHRX-BDAKNGLRSA-N 0 3 284.316 -1.509 20 30 CAEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271182983 775589971 /nfs/dbraw/zinc/58/99/71/775589971.db2.gz ABINJPVWTNFWQK-MFKMUULPSA-N 0 3 282.344 -1.203 20 30 CAEDHN C=CCN1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001271173719 775590645 /nfs/dbraw/zinc/59/06/45/775590645.db2.gz BVFBJYNZHIOUCD-AWEZNQCLSA-N 0 3 296.371 -1.843 20 30 CAEDHN C#CCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001271198964 775594951 /nfs/dbraw/zinc/59/49/51/775594951.db2.gz UFOHQEILIHQQFC-NSHDSACASA-N 0 3 292.343 -1.536 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126650549 775642545 /nfs/dbraw/zinc/64/25/45/775642545.db2.gz QLHZJTRQLDTEEH-UHFFFAOYSA-N 0 3 264.289 -2.116 20 30 CAEDHN COCC#CCNCCNC(=O)c1ncn(C)n1 ZINC001126677831 775646930 /nfs/dbraw/zinc/64/69/30/775646930.db2.gz FQPHPTISQDYNJJ-UHFFFAOYSA-N 0 3 251.290 -1.216 20 30 CAEDHN CNC(=O)NCCC(=O)NCCNCC(=O)NCC#N ZINC001126689342 775648538 /nfs/dbraw/zinc/64/85/38/775648538.db2.gz WTENDSBENYRXMI-UHFFFAOYSA-N 0 3 284.320 -2.349 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncn(C)n1 ZINC001126688663 775648583 /nfs/dbraw/zinc/64/85/83/775648583.db2.gz JPUWDNDRAXNAQY-VIFPVBQESA-N 0 3 278.316 -1.728 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)NC ZINC001126697579 775651311 /nfs/dbraw/zinc/65/13/11/775651311.db2.gz AGYNMKCQMYJPBL-SNVBAGLBSA-N 0 3 299.375 -1.298 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)NC ZINC001126698470 775651589 /nfs/dbraw/zinc/65/15/89/775651589.db2.gz WMFGNJPTHNAFCN-SNVBAGLBSA-N 0 3 297.359 -1.851 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001272136311 775678579 /nfs/dbraw/zinc/67/85/79/775678579.db2.gz NKLYZSRGNLUGPE-GFCCVEGCSA-N 0 3 269.345 -1.639 20 30 CAEDHN C#CCCN(C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001272164750 775679496 /nfs/dbraw/zinc/67/94/96/775679496.db2.gz FEZMVMWXGQZLDM-UHFFFAOYSA-N 0 3 280.328 -1.048 20 30 CAEDHN C#CCNCCN(CCO)C(=O)C[C@@H](C)NC(N)=O ZINC001272168995 775681711 /nfs/dbraw/zinc/68/17/11/775681711.db2.gz QBAPUBGUTMKFHR-SNVBAGLBSA-N 0 3 270.333 -1.523 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@@H](C)NC(=O)CC ZINC001272174468 775682306 /nfs/dbraw/zinc/68/23/06/775682306.db2.gz OBHOKTNBZZPHOL-LLVKDONJSA-N 0 3 269.345 -1.055 20 30 CAEDHN C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001272216252 775689969 /nfs/dbraw/zinc/68/99/69/775689969.db2.gz PUCKWGRTEYMAAI-MNOVXSKESA-N 0 3 294.355 -1.303 20 30 CAEDHN C=CCNC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001272216253 775690131 /nfs/dbraw/zinc/69/01/31/775690131.db2.gz PUCKWGRTEYMAAI-QWRGUYRKSA-N 0 3 294.355 -1.303 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126800658 775690857 /nfs/dbraw/zinc/69/08/57/775690857.db2.gz JTOJBGWAZSYQMR-UHFFFAOYSA-N 0 3 250.262 -1.631 20 30 CAEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126806617 775692182 /nfs/dbraw/zinc/69/21/82/775692182.db2.gz LLFFLNWQWOQMGF-UHFFFAOYSA-N 0 3 294.315 -1.259 20 30 CAEDHN C#CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@H]1C ZINC001272225001 775692273 /nfs/dbraw/zinc/69/22/73/775692273.db2.gz KQZUJQQZZILQBN-VXGBXAGGSA-N 0 3 281.356 -1.198 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc[nH]1 ZINC001126822642 775693991 /nfs/dbraw/zinc/69/39/91/775693991.db2.gz FOJHVEJXVGNXAL-SECBINFHSA-N 0 3 263.301 -1.133 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncc[nH]1 ZINC001126822643 775694395 /nfs/dbraw/zinc/69/43/95/775694395.db2.gz FOJHVEJXVGNXAL-VIFPVBQESA-N 0 3 263.301 -1.133 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CC1(O)CCC1 ZINC001126848377 775701448 /nfs/dbraw/zinc/70/14/48/775701448.db2.gz RUOQTPJHVTURIH-UHFFFAOYSA-N 0 3 268.317 -1.363 20 30 CAEDHN C[C@@H](NCCNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001126886018 775707406 /nfs/dbraw/zinc/70/74/06/775707406.db2.gz NNNPTCVDDOITDA-MRVPVSSYSA-N 0 3 266.301 -1.311 20 30 CAEDHN C[C@H](NCCNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001126886021 775707611 /nfs/dbraw/zinc/70/76/11/775707611.db2.gz NNNPTCVDDOITDA-QMMMGPOBSA-N 0 3 266.301 -1.311 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)Cc1nnc(C)[nH]1 ZINC001126907961 775711880 /nfs/dbraw/zinc/71/18/80/775711880.db2.gz YMJODJDJICDXBJ-UHFFFAOYSA-N 0 3 280.332 -1.336 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723238 775744312 /nfs/dbraw/zinc/74/43/12/775744312.db2.gz REDSRVUCVOPDQZ-NXEZZACHSA-N 0 3 266.305 -1.590 20 30 CAEDHN C#CCNCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001272258141 775766912 /nfs/dbraw/zinc/76/69/12/775766912.db2.gz DJOXRHXYMOFAKC-NEPJUHHUSA-N 0 3 281.356 -1.068 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003927 775787753 /nfs/dbraw/zinc/78/77/53/775787753.db2.gz FUNYTKKBIHWSNC-NXEZZACHSA-N 0 3 266.305 -1.590 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156398 775796348 /nfs/dbraw/zinc/79/63/48/775796348.db2.gz AMTCGNYJRRHKEI-IVZWLZJFSA-N 0 3 296.327 -1.678 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)Cc1ccn(C)n1 ZINC001126966218 775804632 /nfs/dbraw/zinc/80/46/32/775804632.db2.gz PVPAGBNTDGJZJG-UHFFFAOYSA-N 0 3 279.344 -1.029 20 30 CAEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264322 775810071 /nfs/dbraw/zinc/81/00/71/775810071.db2.gz ONGDYHMPDIPPHN-GHMZBOCLSA-N 0 3 295.343 -1.681 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)Cc1ccn(C)n1 ZINC001126971441 775816906 /nfs/dbraw/zinc/81/69/06/775816906.db2.gz CLCHPCCWLTZQSW-UHFFFAOYSA-N 0 3 277.328 -1.582 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccn(C)n1 ZINC001126976073 775819938 /nfs/dbraw/zinc/81/99/38/775819938.db2.gz RORIOPYHDKZTLG-LLVKDONJSA-N 0 3 291.355 -1.194 20 30 CAEDHN C#CCOCCC(=O)NCCNCC(=O)NC(N)=O ZINC001127023907 775836769 /nfs/dbraw/zinc/83/67/69/775836769.db2.gz UUCNTUPDSMBFJG-UHFFFAOYSA-N 0 3 270.289 -2.073 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)CCOCC#C ZINC001127023237 775836802 /nfs/dbraw/zinc/83/68/02/775836802.db2.gz FORZRRUGEKCHCO-LBPRGKRZSA-N 0 3 279.340 -1.130 20 30 CAEDHN C#CCOCCC(=O)NCCNCCNS(C)(=O)=O ZINC001127023638 775837061 /nfs/dbraw/zinc/83/70/61/775837061.db2.gz PLQNVDSVTMJBMG-UHFFFAOYSA-N 0 3 291.373 -1.719 20 30 CAEDHN C#CCOCCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127023820 775837107 /nfs/dbraw/zinc/83/71/07/775837107.db2.gz RQLARGDOZZAQCS-NSHDSACASA-N 0 3 267.329 -1.037 20 30 CAEDHN C#CCOCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001127023259 775837395 /nfs/dbraw/zinc/83/73/95/775837395.db2.gz GPCODVJUZBHCDB-SNVBAGLBSA-N 0 3 298.343 -1.424 20 30 CAEDHN C#CCOCCC(=O)NCCNCC(=O)NCC#N ZINC001127026892 775837463 /nfs/dbraw/zinc/83/74/63/775837463.db2.gz AVJXPUZFRLVYHY-UHFFFAOYSA-N 0 3 266.301 -1.628 20 30 CAEDHN C#CCOCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001127032138 775840463 /nfs/dbraw/zinc/84/04/63/775840463.db2.gz UUVIJMBTWOVRKK-SNVBAGLBSA-N 0 3 253.302 -1.379 20 30 CAEDHN 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C#CCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055820 776176470 /nfs/dbraw/zinc/17/64/70/776176470.db2.gz YYUXKWBXFWDUKH-MNOVXSKESA-N 0 3 278.316 -1.752 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055821 776176497 /nfs/dbraw/zinc/17/64/97/776176497.db2.gz YYUXKWBXFWDUKH-QWRGUYRKSA-N 0 3 278.316 -1.752 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055819 776177204 /nfs/dbraw/zinc/17/72/04/776177204.db2.gz YYUXKWBXFWDUKH-GHMZBOCLSA-N 0 3 278.316 -1.752 20 30 CAEDHN C=C(C)CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054939 776177243 /nfs/dbraw/zinc/17/72/43/776177243.db2.gz NJWOATQYDRXBBH-MNOVXSKESA-N 0 3 280.332 -1.199 20 30 CAEDHN CC(C)C(=O)N(C)CC(=O)NCCNCC(=O)NCC#N ZINC001128584923 776197268 /nfs/dbraw/zinc/19/72/68/776197268.db2.gz OAUYQFLIFOMZEB-UHFFFAOYSA-N 0 3 297.359 -1.554 20 30 CAEDHN COCC#CCNCCNC(=O)CCNS(C)(=O)=O ZINC001128603171 776199257 /nfs/dbraw/zinc/19/92/57/776199257.db2.gz BMODGBYQYXGACP-UHFFFAOYSA-N 0 3 291.373 -1.719 20 30 CAEDHN CCS(=O)(=O)NCC(=O)NCCNCC#CCOC ZINC001128594709 776199620 /nfs/dbraw/zinc/19/96/20/776199620.db2.gz KZPQAABDAFOYIQ-UHFFFAOYSA-N 0 3 291.373 -1.719 20 30 CAEDHN CC#CCNCCNC(=O)CN(C)C(=O)COC ZINC001128629754 776201709 /nfs/dbraw/zinc/20/17/09/776201709.db2.gz WQPRABGHPMRLEE-UHFFFAOYSA-N 0 3 255.318 -1.180 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128642848 776201790 /nfs/dbraw/zinc/20/17/90/776201790.db2.gz BCFVDGPHWQIVET-LLVKDONJSA-N 0 3 294.355 -1.690 20 30 CAEDHN COCC#CCNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128664255 776204040 /nfs/dbraw/zinc/20/40/40/776204040.db2.gz CJTWFJPNNRAMMT-LLVKDONJSA-N 0 3 267.329 -1.180 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128672488 776204912 /nfs/dbraw/zinc/20/49/12/776204912.db2.gz HZJIREHOPLYFIQ-MNOVXSKESA-N 0 3 296.371 -1.139 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128671706 776205253 /nfs/dbraw/zinc/20/52/53/776205253.db2.gz DHKAAFTUYHIMCQ-WDEREUQCSA-N 0 3 294.355 -1.692 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128671704 776205719 /nfs/dbraw/zinc/20/57/19/776205719.db2.gz DHKAAFTUYHIMCQ-MNOVXSKESA-N 0 3 294.355 -1.692 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128672490 776205801 /nfs/dbraw/zinc/20/58/01/776205801.db2.gz HZJIREHOPLYFIQ-WDEREUQCSA-N 0 3 296.371 -1.139 20 30 CAEDHN COCC(=O)NCCC(=O)NCCNCC(=O)NCC#N ZINC001128686017 776207015 /nfs/dbraw/zinc/20/70/15/776207015.db2.gz LAWZXZGIGNNWKR-UHFFFAOYSA-N 0 3 299.331 -2.515 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128727339 776211168 /nfs/dbraw/zinc/21/11/68/776211168.db2.gz FZPGHYAVTCCXJP-NSHDSACASA-N 0 3 295.339 -1.121 20 30 CAEDHN CC#CCNCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128768879 776212429 /nfs/dbraw/zinc/21/24/29/776212429.db2.gz FHEHXGHGUZCVES-UHFFFAOYSA-N 0 3 278.312 -1.724 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858505 776212870 /nfs/dbraw/zinc/21/28/70/776212870.db2.gz GDOIJQGLADQYND-MNOVXSKESA-N 0 3 295.339 -1.223 20 30 CAEDHN C#CCNCCNC(=O)CN1CCCS1(=O)=O ZINC001128814766 776217471 /nfs/dbraw/zinc/21/74/71/776217471.db2.gz WLMWGOKOKYPSDU-UHFFFAOYSA-N 0 3 259.331 -1.639 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)NC ZINC001128800118 776217945 /nfs/dbraw/zinc/21/79/45/776217945.db2.gz OGGMGIXBCMLOGJ-VIFPVBQESA-N 0 3 285.348 -1.688 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090203704 776222319 /nfs/dbraw/zinc/22/23/19/776222319.db2.gz IYILMACZABIQJY-KBPBESRZSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198547 776223569 /nfs/dbraw/zinc/22/35/69/776223569.db2.gz YZSBFFIIKHUOEL-GHMZBOCLSA-N 0 3 293.327 -1.442 20 30 CAEDHN C#CCCN1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090203706 776223721 /nfs/dbraw/zinc/22/37/21/776223721.db2.gz IYILMACZABIQJY-UONOGXRCSA-N 0 3 295.383 -1.107 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cnn2c1CCC2 ZINC001128923267 776225599 /nfs/dbraw/zinc/22/55/99/776225599.db2.gz WQEBYROSCJAMDN-UHFFFAOYSA-N 0 3 289.339 -1.102 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)C1(F)CCOCC1 ZINC001128977557 776229619 /nfs/dbraw/zinc/22/96/19/776229619.db2.gz OMQWYKREQWJULT-UHFFFAOYSA-N 0 3 286.307 -1.149 20 30 CAEDHN C#CCN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 ZINC001090233363 776234026 /nfs/dbraw/zinc/23/40/26/776234026.db2.gz GWVPBDRSTZUGGX-WDEREUQCSA-N 0 3 277.328 -1.160 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)CCc1c[nH]cn1 ZINC001128986358 776234487 /nfs/dbraw/zinc/23/44/87/776234487.db2.gz SXPXQCOBJOADDL-UHFFFAOYSA-N 0 3 278.316 -1.312 20 30 CAEDHN C#CCC1(C(=O)NCCNCC(N)=O)CCOCC1 ZINC001129117056 776244990 /nfs/dbraw/zinc/24/49/90/776244990.db2.gz PVHVKDLNSDXGIP-UHFFFAOYSA-N 0 3 267.329 -1.002 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129255151 776247771 /nfs/dbraw/zinc/24/77/71/776247771.db2.gz GMEMGJMXUKNJGN-LLVKDONJSA-N 0 3 294.355 -1.642 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129262307 776249438 /nfs/dbraw/zinc/24/94/38/776249438.db2.gz MZEPBBACECWPAW-SNVBAGLBSA-N 0 3 295.343 -1.752 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129262874 776249556 /nfs/dbraw/zinc/24/95/56/776249556.db2.gz TVUWYOGLLVVCSU-NSHDSACASA-N 0 3 296.371 -1.089 20 30 CAEDHN C=C(C)CN1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270025 776261588 /nfs/dbraw/zinc/26/15/88/776261588.db2.gz VMZASVKCYLMUPL-MNOVXSKESA-N 0 3 280.332 -1.199 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129297372 776274844 /nfs/dbraw/zinc/27/48/44/776274844.db2.gz MDAMWLLTQVWCRI-JTQLQIEISA-N 0 3 280.328 -2.032 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCNC1=O ZINC001129303996 776276207 /nfs/dbraw/zinc/27/62/07/776276207.db2.gz MXKTVQYRNKWPDQ-QWRGUYRKSA-N 0 3 294.355 -1.644 20 30 CAEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716329 776421251 /nfs/dbraw/zinc/42/12/51/776421251.db2.gz BIHWTYPLWLNBJT-OUAUKWLOSA-N 0 3 294.355 -1.305 20 30 CAEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716328 776421669 /nfs/dbraw/zinc/42/16/69/776421669.db2.gz BIHWTYPLWLNBJT-GMTAPVOTSA-N 0 3 294.355 -1.305 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(C)=O)CCO1 ZINC001273208163 776424692 /nfs/dbraw/zinc/42/46/92/776424692.db2.gz KJINNCUPTLQGJT-ZYHUDNBSSA-N 0 3 267.329 -1.039 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099788009 776431345 /nfs/dbraw/zinc/43/13/45/776431345.db2.gz ARIHQNFJOQSCLX-VXGBXAGGSA-N 0 3 297.355 -1.940 20 30 CAEDHN C=CCOCCN1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791685 776435322 /nfs/dbraw/zinc/43/53/22/776435322.db2.gz IZCFFMITPGFIPN-VXGBXAGGSA-N 0 3 299.371 -1.124 20 30 CAEDHN C=CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036106 776440814 /nfs/dbraw/zinc/44/08/14/776440814.db2.gz QQMCXNLIVQTGGT-ZJUUUORDSA-N 0 3 296.327 -1.724 20 30 CAEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)CC1 ZINC001084087850 776448652 /nfs/dbraw/zinc/44/86/52/776448652.db2.gz DDUZBQLQVUFPBF-KGLIPLIRSA-N 0 3 295.383 -1.515 20 30 CAEDHN C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001273226988 776458482 /nfs/dbraw/zinc/45/84/82/776458482.db2.gz SKKQQGKXTPNIGL-VXGBXAGGSA-N 0 3 297.355 -1.412 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813170 776458514 /nfs/dbraw/zinc/45/85/14/776458514.db2.gz KXBSWWBVOIZOFJ-NEPJUHHUSA-N 0 3 296.371 -1.120 20 30 CAEDHN C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001273226985 776459079 /nfs/dbraw/zinc/45/90/79/776459079.db2.gz SKKQQGKXTPNIGL-NWDGAFQWSA-N 0 3 297.355 -1.412 20 30 CAEDHN C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001273226983 776459350 /nfs/dbraw/zinc/45/93/50/776459350.db2.gz SKKQQGKXTPNIGL-NEPJUHHUSA-N 0 3 297.355 -1.412 20 30 CAEDHN C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001273226986 776459771 /nfs/dbraw/zinc/45/97/71/776459771.db2.gz SKKQQGKXTPNIGL-RYUDHWBXSA-N 0 3 297.355 -1.412 20 30 CAEDHN C=CCOCC(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001273238705 776462806 /nfs/dbraw/zinc/46/28/06/776462806.db2.gz ZEIJTZSIPGGBPO-GHMZBOCLSA-N 0 3 285.344 -1.120 20 30 CAEDHN C#CCN1CCC(C(=O)NC[C@@]2(CO)COCCN2)CC1 ZINC000820365070 776464053 /nfs/dbraw/zinc/46/40/53/776464053.db2.gz KKOLUHWQAQSBJD-OAHLLOKOSA-N 0 3 295.383 -1.201 20 30 CAEDHN C#CCCN1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099863004 776465832 /nfs/dbraw/zinc/46/58/32/776465832.db2.gz HBDREJQUPUXWNR-GHMZBOCLSA-N 0 3 282.344 -1.510 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001273251886 776466050 /nfs/dbraw/zinc/46/60/50/776466050.db2.gz OCXDPJGAJSFALK-SNVBAGLBSA-N 0 3 263.301 -1.121 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCO1 ZINC001273260814 776467487 /nfs/dbraw/zinc/46/74/87/776467487.db2.gz MYLUEVMFQCLYJN-QWRGUYRKSA-N 0 3 282.344 -1.117 20 30 CAEDHN C#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001273308166 776477918 /nfs/dbraw/zinc/47/79/18/776477918.db2.gz HMLIUZXTYUCOJO-SNVBAGLBSA-N 0 3 265.313 -1.298 20 30 CAEDHN C=CCOCCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974324 776483572 /nfs/dbraw/zinc/48/35/72/776483572.db2.gz PYAAEHOCSYIYSR-VHSXEESVSA-N 0 3 271.317 -1.774 20 30 CAEDHN C=CCOCCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974320 776483958 /nfs/dbraw/zinc/48/39/58/776483958.db2.gz PYAAEHOCSYIYSR-NXEZZACHSA-N 0 3 271.317 -1.774 20 30 CAEDHN C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC001273365230 776494077 /nfs/dbraw/zinc/49/40/77/776494077.db2.gz CYWVKWXOFHHZOW-RYUDHWBXSA-N 0 3 294.355 -1.020 20 30 CAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)(C#N)C1 ZINC001157694714 776596728 /nfs/dbraw/zinc/59/67/28/776596728.db2.gz WSUYCFSRIQCHKN-YUMQZZPRSA-N 0 3 281.316 -1.934 20 30 CAEDHN C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114170409 776615159 /nfs/dbraw/zinc/61/51/59/776615159.db2.gz PZFBSCPDJYZIQW-IWIIMEHWSA-N 0 3 265.313 -1.835 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130327247 776650364 /nfs/dbraw/zinc/65/03/64/776650364.db2.gz PXQQDJYXYLXGBG-JTQLQIEISA-N 0 3 276.358 -1.225 20 30 CAEDHN C#CCOCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114266331 776619757 /nfs/dbraw/zinc/61/97/57/776619757.db2.gz NXXDZWZCCWLDOF-KZVDOYCCSA-N 0 3 291.351 -1.039 20 30 CAEDHN C#CCNCCNC(=O)CNC(=O)CNC(C)=O ZINC001130381983 776654893 /nfs/dbraw/zinc/65/48/93/776654893.db2.gz RJCKPFWDFRMEIB-UHFFFAOYSA-N 0 3 254.290 -2.422 20 30 CAEDHN COCC#CCNCCNC(=O)CN1CCOCC1=O ZINC001129568788 776622677 /nfs/dbraw/zinc/62/26/77/776622677.db2.gz CKMFWSYBFPVFNU-UHFFFAOYSA-N 0 3 283.328 -1.799 20 30 CAEDHN CC#CCNCCNC(=O)CN1CCOCC1=O ZINC001129573651 776624698 /nfs/dbraw/zinc/62/46/98/776624698.db2.gz GYWZBFLGCWAJTA-UHFFFAOYSA-N 0 3 253.302 -1.426 20 30 CAEDHN Cc1nn(C)cc1CC(=O)NCCNCC(=O)NCC#N ZINC001129591812 776624861 /nfs/dbraw/zinc/62/48/61/776624861.db2.gz JAIXWKLNPRQNAQ-UHFFFAOYSA-N 0 3 292.343 -1.383 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cnc2n1CCC2 ZINC001129761861 776626128 /nfs/dbraw/zinc/62/61/28/776626128.db2.gz DPGYSFZDPUFIOF-UHFFFAOYSA-N 0 3 289.339 -1.102 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743119 776626343 /nfs/dbraw/zinc/62/63/43/776626343.db2.gz HJSUUJNXQZOBLK-QMMMGPOBSA-N 0 3 295.299 -2.960 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1cnc2n1CCC2 ZINC001129760340 776626607 /nfs/dbraw/zinc/62/66/07/776626607.db2.gz ZPUOLHAKTSZSRZ-UHFFFAOYSA-N 0 3 290.327 -1.212 20 30 CAEDHN C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001129771306 776627423 /nfs/dbraw/zinc/62/74/23/776627423.db2.gz VIDKGRILYGUWCH-MNOVXSKESA-N 0 3 266.345 -1.336 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810271 776628785 /nfs/dbraw/zinc/62/87/85/776628785.db2.gz TVCQXRWFHYRJCR-UHFFFAOYSA-N 0 3 293.327 -1.598 20 30 CAEDHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NCC#N ZINC001129802844 776628857 /nfs/dbraw/zinc/62/88/57/776628857.db2.gz PYSJAXMFEGCTGY-ONGXEEELSA-N 0 3 284.316 -1.864 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802499 776629039 /nfs/dbraw/zinc/62/90/39/776629039.db2.gz IMUGTSJSOFTJLC-JQWIXIFHSA-N 0 3 283.328 -1.755 20 30 CAEDHN 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CAEDHN C=CCNC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132229772 776716634 /nfs/dbraw/zinc/71/66/34/776716634.db2.gz YCPRBFQAHJABGX-UHFFFAOYSA-N 0 3 266.305 -1.265 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cn(C)nc1OC ZINC001132277587 776718698 /nfs/dbraw/zinc/71/86/98/776718698.db2.gz FEFJJZYIFVJOKX-UHFFFAOYSA-N 0 3 293.327 -1.503 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)CC(N)=O ZINC001132331097 776721419 /nfs/dbraw/zinc/72/14/19/776721419.db2.gz KJJORTSIMTWUCN-ZJUUUORDSA-N 0 3 282.344 -1.658 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)CC(N)=O ZINC001132331095 776721566 /nfs/dbraw/zinc/72/15/66/776721566.db2.gz KJJORTSIMTWUCN-UWVGGRQHSA-N 0 3 282.344 -1.658 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132318323 776721792 /nfs/dbraw/zinc/72/17/92/776721792.db2.gz VDVKLFILQOJTHH-UHFFFAOYSA-N 0 3 295.343 -3.127 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337533 776722836 /nfs/dbraw/zinc/72/28/36/776722836.db2.gz LWAOLDPZSACLGG-DTWKUNHWSA-N 0 3 281.316 -2.157 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337251 776722964 /nfs/dbraw/zinc/72/29/64/776722964.db2.gz IGUHACWFBNQEFX-UWVGGRQHSA-N 0 3 282.344 -1.494 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132338641 776723925 /nfs/dbraw/zinc/72/39/25/776723925.db2.gz VVGLLQBWDHHUKZ-ZJUUUORDSA-N 0 3 280.328 -2.047 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)CC(N)=O ZINC001132338511 776724453 /nfs/dbraw/zinc/72/44/53/776724453.db2.gz VFZCXCSJVUGQCE-UWVGGRQHSA-N 0 3 284.360 -1.106 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)CC(N)=O ZINC001132338510 776724650 /nfs/dbraw/zinc/72/46/50/776724650.db2.gz VFZCXCSJVUGQCE-NXEZZACHSA-N 0 3 284.360 -1.106 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132338640 776724672 /nfs/dbraw/zinc/72/46/72/776724672.db2.gz VVGLLQBWDHHUKZ-VHSXEESVSA-N 0 3 280.328 -2.047 20 30 CAEDHN COCC#CCNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132344860 776725774 /nfs/dbraw/zinc/72/57/74/776725774.db2.gz LBKAPUVXPWRRDB-JTQLQIEISA-N 0 3 255.318 -1.147 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C)CC(N)=O)C1=O ZINC001132345331 776725926 /nfs/dbraw/zinc/72/59/26/776725926.db2.gz OXHVJAXXENYNTN-WDEREUQCSA-N 0 3 296.371 -1.009 20 30 CAEDHN COCC#CCNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132342206 776726104 /nfs/dbraw/zinc/72/61/04/776726104.db2.gz YRVBCMDIYKXBFM-WDEREUQCSA-N 0 3 267.329 -1.147 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132342204 776726138 /nfs/dbraw/zinc/72/61/38/776726138.db2.gz YRVBCMDIYKXBFM-MNOVXSKESA-N 0 3 267.329 -1.147 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132356318 776729375 /nfs/dbraw/zinc/72/93/75/776729375.db2.gz VROXTBLOIRACEB-MRVPVSSYSA-N 0 3 267.289 -2.532 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1CCNC1=O ZINC001132358198 776729757 /nfs/dbraw/zinc/72/97/57/776729757.db2.gz AMMAIKCBKFBCQE-JTQLQIEISA-N 0 3 253.302 -1.522 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132358798 776729924 /nfs/dbraw/zinc/72/99/24/776729924.db2.gz HUKOUFBRYMUDRP-MNOVXSKESA-N 0 3 294.355 -1.385 20 30 CAEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132358797 776729950 /nfs/dbraw/zinc/72/99/50/776729950.db2.gz HUKOUFBRYMUDRP-GHMZBOCLSA-N 0 3 294.355 -1.385 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387166 776732440 /nfs/dbraw/zinc/73/24/40/776732440.db2.gz PMUYNMNAIVQABC-SNVBAGLBSA-N 0 3 268.317 -1.634 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376926 776734597 /nfs/dbraw/zinc/73/45/97/776734597.db2.gz SFZKPUWVPYRMDJ-NXEZZACHSA-N 0 3 280.328 -2.034 20 30 CAEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376620 776734956 /nfs/dbraw/zinc/73/49/56/776734956.db2.gz PVUPLJLKWLLIOT-UWVGGRQHSA-N 0 3 282.344 -1.481 20 30 CAEDHN CN1C[C@H](C(=O)NCCNCC(=O)NCC#N)NC1=O ZINC001132382742 776735776 /nfs/dbraw/zinc/73/57/76/776735776.db2.gz QCMZMZJEMGSNED-MRVPVSSYSA-N 0 3 282.304 -2.644 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132379622 776735809 /nfs/dbraw/zinc/73/58/09/776735809.db2.gz QHJNQRZVFIEGGT-UHFFFAOYSA-N 0 3 281.316 -1.253 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382526 776736364 /nfs/dbraw/zinc/73/63/64/776736364.db2.gz LRTFETMMOISWRZ-VIFPVBQESA-N 0 3 281.316 -2.535 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(=O)n1C ZINC001132382764 776736501 /nfs/dbraw/zinc/73/65/01/776736501.db2.gz QRHIILUHEBZRMJ-VIFPVBQESA-N 0 3 293.327 -1.417 20 30 CAEDHN Cn1c(C(=O)NCCNCC(=O)NCC#N)c[nH]c1=O ZINC001132379592 776736711 /nfs/dbraw/zinc/73/67/11/776736711.db2.gz OVSYMZJBLKFJRX-UHFFFAOYSA-N 0 3 280.288 -1.915 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402344 776739005 /nfs/dbraw/zinc/73/90/05/776739005.db2.gz PKYIFVYCXREIDU-ZJUUUORDSA-N 0 3 295.343 -2.146 20 30 CAEDHN CN1C(=O)CC[C@H]1C(=O)NCCNCC(=O)NCC#N ZINC001132519779 776739472 /nfs/dbraw/zinc/73/94/72/776739472.db2.gz LQIDNTBMYVZIHZ-VIFPVBQESA-N 0 3 281.316 -2.047 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519695 776739804 /nfs/dbraw/zinc/73/98/04/776739804.db2.gz IORQNMOOFVORCY-JTQLQIEISA-N 0 3 282.344 -1.385 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528666 776742822 /nfs/dbraw/zinc/74/28/22/776742822.db2.gz QTAGVRVSRBVPLE-QMMMGPOBSA-N 0 3 279.304 -2.333 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132529084 776742976 /nfs/dbraw/zinc/74/29/76/776742976.db2.gz ZAZTUQKYQNWDIL-MRVPVSSYSA-N 0 3 281.320 -1.780 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623875 776745925 /nfs/dbraw/zinc/74/59/25/776745925.db2.gz IMVPLLYHAIARQW-GHMZBOCLSA-N 0 3 296.371 -1.139 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623349 776746086 /nfs/dbraw/zinc/74/60/86/776746086.db2.gz CIYWNPKHKMBEIE-MNOVXSKESA-N 0 3 294.355 -1.692 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608594 776746182 /nfs/dbraw/zinc/74/61/82/776746182.db2.gz GYTNEEHJOFPVFP-JTQLQIEISA-N 0 3 280.328 -2.080 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608866 776746355 /nfs/dbraw/zinc/74/63/55/776746355.db2.gz KZOKMWAIDXOCHU-SNVBAGLBSA-N 0 3 282.344 -1.527 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1csc(=O)[nH]1 ZINC001132644048 776748022 /nfs/dbraw/zinc/74/80/22/776748022.db2.gz UOHANBAFMJJFBH-UHFFFAOYSA-N 0 3 283.313 -1.192 20 30 CAEDHN COCC#CCNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763136 776751323 /nfs/dbraw/zinc/75/13/23/776751323.db2.gz WWBSNGZPKXEGNK-LLVKDONJSA-N 0 3 267.329 -1.037 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@]1(F)CCOC1 ZINC001132851952 776751974 /nfs/dbraw/zinc/75/19/74/776751974.db2.gz DIRJSJJQDRSFOF-GFCCVEGCSA-N 0 3 271.292 -1.430 20 30 CAEDHN C[C@H](C(=O)NCCNCC(=O)NCC#N)c1cncnc1 ZINC001132816340 776752635 /nfs/dbraw/zinc/75/26/35/776752635.db2.gz JSSOYHOJBOIRMC-JTQLQIEISA-N 0 3 290.327 -1.074 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@]1(F)CCOC1 ZINC001132851953 776753067 /nfs/dbraw/zinc/75/30/67/776753067.db2.gz DIRJSJJQDRSFOF-LBPRGKRZSA-N 0 3 271.292 -1.430 20 30 CAEDHN Cn1cc(OCC(=O)NCCNCC(=O)NCC#N)cn1 ZINC001132961013 776755006 /nfs/dbraw/zinc/75/50/06/776755006.db2.gz DRGKSBIKFKXSAX-UHFFFAOYSA-N 0 3 294.315 -1.856 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)COc1cnn(C)c1 ZINC001132961037 776755103 /nfs/dbraw/zinc/75/51/03/776755103.db2.gz FWSCVECXWGJJAK-UHFFFAOYSA-N 0 3 295.343 -1.193 20 30 CAEDHN COCC#CCNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016368 776755957 /nfs/dbraw/zinc/75/59/57/776755957.db2.gz WAFNXUOWECXXHM-UHFFFAOYSA-N 0 3 264.285 -1.261 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013319 776757946 /nfs/dbraw/zinc/75/79/46/776757946.db2.gz DKKKABAEBHGPAV-VIFPVBQESA-N 0 3 291.311 -1.773 20 30 CAEDHN C=CCN1CC[C@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115877 776761957 /nfs/dbraw/zinc/76/19/57/776761957.db2.gz SMXLJUNZKCXYLK-VHSXEESVSA-N 0 3 295.343 -1.840 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121026 776763031 /nfs/dbraw/zinc/76/30/31/776763031.db2.gz GBVAOUSBQPBIQR-BDAKNGLRSA-N 0 3 281.316 -2.489 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121028 776763121 /nfs/dbraw/zinc/76/31/21/776763121.db2.gz GBVAOUSBQPBIQR-IUCAKERBSA-N 0 3 281.316 -2.489 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122128 776764538 /nfs/dbraw/zinc/76/45/38/776764538.db2.gz RQORWYYNTPLVCV-RKDXNWHRSA-N 0 3 283.332 -1.936 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133332153 776775746 /nfs/dbraw/zinc/77/57/46/776775746.db2.gz FILOFOYDCURFQC-UHFFFAOYSA-N 0 3 281.316 -1.253 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H](COC)OC ZINC001133510397 776779421 /nfs/dbraw/zinc/77/94/21/776779421.db2.gz ZRYTXWAVWCPKLY-SNVBAGLBSA-N 0 3 271.317 -1.897 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479009 776779508 /nfs/dbraw/zinc/77/95/08/776779508.db2.gz ONSPEFNPRCQLBF-YGRLFVJLSA-N 0 3 294.355 -1.501 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](COC)OC ZINC001133513184 776779521 /nfs/dbraw/zinc/77/95/21/776779521.db2.gz MYLNEVXCKQZUTK-GHMZBOCLSA-N 0 3 285.344 -1.509 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1n[nH]cc1F ZINC001133479163 776779536 /nfs/dbraw/zinc/77/95/36/776779536.db2.gz RZTLKNYOBPOOPW-UHFFFAOYSA-N 0 3 268.252 -1.492 20 30 CAEDHN COC[C@H](OC)C(=O)NCCNCC(=O)NCC#N ZINC001133512491 776779937 /nfs/dbraw/zinc/77/99/37/776779937.db2.gz CZDFQTACQCXLJK-VIFPVBQESA-N 0 3 272.305 -2.007 20 30 CAEDHN C#Cc1cncc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001133592855 776782259 /nfs/dbraw/zinc/78/22/59/776782259.db2.gz DSOZUOQCCSOLKN-UHFFFAOYSA-N 0 3 289.295 -1.423 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681212 776783243 /nfs/dbraw/zinc/78/32/43/776783243.db2.gz KJKZRQKEBNUQQY-NSHDSACASA-N 0 3 294.355 -1.500 20 30 CAEDHN Cn1c(C(=O)NCCNCC(=O)NCC#N)cccc1=O ZINC001133621637 776784038 /nfs/dbraw/zinc/78/40/38/776784038.db2.gz KPWXVUYTYAWNQB-UHFFFAOYSA-N 0 3 291.311 -1.656 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133753899 776784598 /nfs/dbraw/zinc/78/45/98/776784598.db2.gz NBYZXROVXZBLGM-CYBMUJFWSA-N 0 3 282.344 -1.479 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)co1 ZINC001133704707 776785134 /nfs/dbraw/zinc/78/51/34/776785134.db2.gz OFHXOBPSXVXOPO-UHFFFAOYSA-N 0 3 292.295 -1.553 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754144 776785246 /nfs/dbraw/zinc/78/52/46/776785246.db2.gz QQEBCZXLVJKZNH-ZDUSSCGKSA-N 0 3 280.328 -2.032 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133754143 776785672 /nfs/dbraw/zinc/78/56/72/776785672.db2.gz QQEBCZXLVJKZNH-CYBMUJFWSA-N 0 3 280.328 -2.032 20 30 CAEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCNC1=O ZINC001133754556 776786219 /nfs/dbraw/zinc/78/62/19/776786219.db2.gz VCSOMQVZYRRPRM-QMTHXVAHSA-N 0 3 296.371 -1.091 20 30 CAEDHN C#CCNCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787274 776787521 /nfs/dbraw/zinc/78/75/21/776787521.db2.gz BWMUKXMDVZWQAB-MNOVXSKESA-N 0 3 267.329 -1.039 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCNC1=O ZINC001133766603 776787793 /nfs/dbraw/zinc/78/77/93/776787793.db2.gz ITJFYBVERVNCPC-IINYFYTJSA-N 0 3 294.355 -1.644 20 30 CAEDHN CC#CCNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781221 776787980 /nfs/dbraw/zinc/78/79/80/776787980.db2.gz DDRFQRNIODNECL-VHSXEESVSA-N 0 3 253.302 -1.252 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911162 776793038 /nfs/dbraw/zinc/79/30/38/776793038.db2.gz BDNPBOGIYKTWTB-BBBLOLIVSA-N 0 3 280.328 -2.049 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911394 776794094 /nfs/dbraw/zinc/79/40/94/776794094.db2.gz HZYIQQLSPRHSOV-BDAKNGLRSA-N 0 3 266.301 -2.437 20 30 CAEDHN Cn1ncc(CCC(=O)NCCNCC(=O)NCC#N)n1 ZINC001133914142 776794534 /nfs/dbraw/zinc/79/45/34/776794534.db2.gz BNAFJAFDHQAAFJ-UHFFFAOYSA-N 0 3 293.331 -1.907 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932406 776796039 /nfs/dbraw/zinc/79/60/39/776796039.db2.gz WJJJBSLKMJGYJK-MNOVXSKESA-N 0 3 294.355 -1.657 20 30 CAEDHN C#CCNCCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134609013 776821586 /nfs/dbraw/zinc/82/15/86/776821586.db2.gz GNTYPRFOHFLSQT-UHFFFAOYSA-N 0 3 275.374 -1.003 20 30 CAEDHN N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717240 776800423 /nfs/dbraw/zinc/80/04/23/776800423.db2.gz LFSACTLOMZMMSW-UHFFFAOYSA-N 0 3 279.304 -1.917 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)Cn1ccc(C)n1 ZINC001133996003 776800445 /nfs/dbraw/zinc/80/04/45/776800445.db2.gz QZKSOYMDWAOKHZ-UHFFFAOYSA-N 0 3 277.328 -1.353 20 30 CAEDHN C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717824 776801307 /nfs/dbraw/zinc/80/13/07/776801307.db2.gz UJWZBGLLBFEZCQ-UHFFFAOYSA-N 0 3 280.332 -1.255 20 30 CAEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001134061667 776803734 /nfs/dbraw/zinc/80/37/34/776803734.db2.gz BZEFXWYOSNGOKA-BBBLOLIVSA-N 0 3 298.343 -1.133 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H]1OCC[C@H]1C ZINC001134029118 776804056 /nfs/dbraw/zinc/80/40/56/776804056.db2.gz WHURPWHMCLSQTO-PWSUYJOCSA-N 0 3 267.329 -1.133 20 30 CAEDHN C#CCNCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099654 776804077 /nfs/dbraw/zinc/80/40/77/776804077.db2.gz 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/nfs/dbraw/zinc/81/37/06/776813706.db2.gz MTJGUODLYPVCON-UHFFFAOYSA-N 0 3 263.301 -1.593 20 30 CAEDHN CC#CCNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456544 776817684 /nfs/dbraw/zinc/81/76/84/776817684.db2.gz ZNGBOIDKJKSWFH-QMMMGPOBSA-N 0 3 252.274 -1.686 20 30 CAEDHN C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460548 776818292 /nfs/dbraw/zinc/81/82/92/776818292.db2.gz CRHBEZNJWZYSEV-QMMMGPOBSA-N 0 3 297.315 -2.408 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)COC[C@H]1CCOC1 ZINC001134640341 776820873 /nfs/dbraw/zinc/82/08/73/776820873.db2.gz GCZZTFJVSLLOJH-LBPRGKRZSA-N 0 3 297.355 -1.505 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)COC1CCOCC1 ZINC001134636760 776821250 /nfs/dbraw/zinc/82/12/50/776821250.db2.gz SZGRZUFBSALFPW-UHFFFAOYSA-N 0 3 298.343 -1.472 20 30 CAEDHN C#CCNCCNC(=O)Cn1ncn2nccc2c1=O ZINC001134673390 776823552 /nfs/dbraw/zinc/82/35/52/776823552.db2.gz NBKGLKXJVOTHGD-UHFFFAOYSA-N 0 3 274.284 -1.770 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OCCOC ZINC001134673218 776823949 /nfs/dbraw/zinc/82/39/49/776823949.db2.gz LPKKAONWAFHOTM-NWDGAFQWSA-N 0 3 299.371 -1.118 20 30 CAEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)OCCOC ZINC001134673219 776824125 /nfs/dbraw/zinc/82/41/25/776824125.db2.gz LPKKAONWAFHOTM-RYUDHWBXSA-N 0 3 299.371 -1.118 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)[C@H](C)OCCOC ZINC001134660389 776825014 /nfs/dbraw/zinc/82/50/14/776825014.db2.gz ZOFQACHRUQBSKH-NSHDSACASA-N 0 3 285.344 -1.507 20 30 CAEDHN C#CCNC(=O)CNCCNC(=O)c1ccn(CC)n1 ZINC001134766686 776827324 /nfs/dbraw/zinc/82/73/24/776827324.db2.gz LIEMKKJVHNFHPA-UHFFFAOYSA-N 0 3 277.328 -1.028 20 30 CAEDHN COCC#CCNCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829661 776828331 /nfs/dbraw/zinc/82/83/31/776828331.db2.gz NLFSJSFFODOXHV-NSHDSACASA-N 0 3 298.343 -2.278 20 30 CAEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(N)=O ZINC001134817136 776828356 /nfs/dbraw/zinc/82/83/56/776828356.db2.gz OBGAZTKBLHCZPY-SNVBAGLBSA-N 0 3 270.333 -1.352 20 30 CAEDHN CC#CCNCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836144 776828470 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777924989 /nfs/dbraw/zinc/92/49/89/777924989.db2.gz MEHVVVHTOPESED-RYUDHWBXSA-N 0 3 292.343 -1.098 20 30 CAEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001284000371 777926359 /nfs/dbraw/zinc/92/63/59/777926359.db2.gz NBBQVMFQIHTDHW-UWVGGRQHSA-N 0 3 288.373 -1.748 20 30 CAEDHN C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001284444775 777942543 /nfs/dbraw/zinc/94/25/43/777942543.db2.gz NMBXZMWEDUEDDI-BDAKNGLRSA-N 0 3 284.316 -2.982 20 30 CAEDHN COCC#CCNCCOCCN(C)C(=O)C(N)=O ZINC001284874948 777958722 /nfs/dbraw/zinc/95/87/22/777958722.db2.gz SFMIGUCJXGBSIG-UHFFFAOYSA-N 0 3 271.317 -1.814 20 30 CAEDHN C#CCN1CCC(C(=O)N[C@H](C)CNC(=O)C(N)=O)CC1 ZINC001295633687 778084774 /nfs/dbraw/zinc/08/47/74/778084774.db2.gz MJLLOQIRMMSPDE-SNVBAGLBSA-N 0 3 294.355 -1.562 20 30 CAEDHN CCN(CCO)CCNC(=O)NCC(=O)NCC#N ZINC001117430310 779534736 /nfs/dbraw/zinc/53/47/36/779534736.db2.gz FGTACTAXNPHOET-UHFFFAOYSA-N 0 3 271.321 -1.760 20 30 CAEDHN CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](N)CCCC#N 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291.315 -1.361 20 30 CAEDHN COCC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N ZINC001277785391 780472244 /nfs/dbraw/zinc/47/22/44/780472244.db2.gz IWQVCHHYYPXZFL-SNVBAGLBSA-N 0 3 268.317 -1.147 20 30 CAEDHN C[C@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)NCC#N ZINC001277819899 780478381 /nfs/dbraw/zinc/47/83/81/780478381.db2.gz RVDGVKDHZHKUJK-SECBINFHSA-N 0 3 294.319 -2.251 20 30 CAEDHN C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001277920579 780488400 /nfs/dbraw/zinc/48/84/00/780488400.db2.gz AEYBJYDZTNIDAQ-NXEZZACHSA-N 0 3 297.359 -1.594 20 30 CAEDHN COCC#CCNC[C@H]1CCCN1C(=O)C(N)=O ZINC001277932040 780490087 /nfs/dbraw/zinc/49/00/87/780490087.db2.gz CASVVJDYZCDRMU-SNVBAGLBSA-N 0 3 253.302 -1.298 20 30 CAEDHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)NCC#N ZINC001277922660 780490882 /nfs/dbraw/zinc/49/08/82/780490882.db2.gz PAMMFRDODVMZKO-DTWKUNHWSA-N 0 3 296.331 -2.256 20 30 CAEDHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)NCC#N ZINC001277922662 780490969 /nfs/dbraw/zinc/49/09/69/780490969.db2.gz PAMMFRDODVMZKO-RKDXNWHRSA-N 0 3 296.331 -2.256 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cnon1 ZINC001277968651 780493713 /nfs/dbraw/zinc/49/37/13/780493713.db2.gz KHSZGVXUITXPKF-SECBINFHSA-N 0 3 279.300 -1.131 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001277962693 780494098 /nfs/dbraw/zinc/49/40/98/780494098.db2.gz LNVSYTDQHGXGJF-SNVBAGLBSA-N 0 3 292.343 -1.385 20 30 CAEDHN C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001277962692 780494474 /nfs/dbraw/zinc/49/44/74/780494474.db2.gz LNVSYTDQHGXGJF-JTQLQIEISA-N 0 3 292.343 -1.385 20 30 CAEDHN C#CCN(C)CCCN(C)C(=O)CS(=O)(=O)NC ZINC001280883228 780498048 /nfs/dbraw/zinc/49/80/48/780498048.db2.gz HJXHFPSJTZWESA-UHFFFAOYSA-N 0 3 275.374 -1.051 20 30 CAEDHN C=CCN[C@@H](CO)CNC(=O)CN1CCCC1=O ZINC001278047863 780500212 /nfs/dbraw/zinc/50/02/12/780500212.db2.gz IXKKPOQBRPKZAY-SNVBAGLBSA-N 0 3 255.318 -1.139 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)CCn1ccnn1 ZINC001278071271 780503431 /nfs/dbraw/zinc/50/34/31/780503431.db2.gz NJIDCROLAHOGLQ-JTQLQIEISA-N 0 3 253.306 -1.079 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001278105367 780507082 /nfs/dbraw/zinc/50/70/82/780507082.db2.gz IWLKIDHMYWTDEM-BDAKNGLRSA-N 0 3 264.347 -1.328 20 30 CAEDHN C#CCN(C(=O)[C@H](C)NC(N)=O)C1CCN(CCO)CC1 ZINC001278144490 780510151 /nfs/dbraw/zinc/51/01/51/780510151.db2.gz MUXQNWCJKKWTAK-NSHDSACASA-N 0 3 296.371 -1.038 20 30 CAEDHN C=CCN[C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001278201470 780513938 /nfs/dbraw/zinc/51/39/38/780513938.db2.gz GOWZZGZUIBFZRM-VIFPVBQESA-N 0 3 268.317 -1.410 20 30 CAEDHN CCOC(=O)[C@H](CS)[N-]S(=O)(=O)CC[NH3+] ZINC001238345567 780517743 /nfs/dbraw/zinc/51/77/43/780517743.db2.gz WGJSRCIAXSAUGX-LURJTMIESA-N 0 3 256.349 -1.274 20 30 CAEDHN C#CCCN1CCC[C@H](NS(=O)(=O)CCN)C1=O ZINC001238786432 780523148 /nfs/dbraw/zinc/52/31/48/780523148.db2.gz XZDNPSJMPNEOCP-JTQLQIEISA-N 0 3 273.358 -1.121 20 30 CAEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001278370493 780537369 /nfs/dbraw/zinc/53/73/69/780537369.db2.gz IPYUSPVSJJWQCI-VXGBXAGGSA-N 0 3 292.343 -1.098 20 30 CAEDHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@H]1C ZINC001278333114 780537451 /nfs/dbraw/zinc/53/74/51/780537451.db2.gz CJHWYFHXNAJSQN-KOLCDFICSA-N 0 3 295.343 -1.659 20 30 CAEDHN C#CCOC[C@@H](O)CN1CCNC[C@H]1C(=O)OC ZINC001246047974 780540881 /nfs/dbraw/zinc/54/08/81/780540881.db2.gz GKNGDZQJGYBDFM-QWRGUYRKSA-N 0 3 256.302 -1.556 20 30 CAEDHN C#CCOC[C@H](O)CN1CCNC[C@H]1C(=O)OC ZINC001246047973 780541606 /nfs/dbraw/zinc/54/16/06/780541606.db2.gz GKNGDZQJGYBDFM-MNOVXSKESA-N 0 3 256.302 -1.556 20 30 CAEDHN C=CCOC[C@H](O)CN1CCNC[C@H]1C(=O)OC ZINC001246049977 780542491 /nfs/dbraw/zinc/54/24/91/780542491.db2.gz UJCXEXPVXSRHAA-MNOVXSKESA-N 0 3 258.318 -1.003 20 30 CAEDHN C#CCOC[C@H](O)CN[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001251903630 780579485 /nfs/dbraw/zinc/57/94/85/780579485.db2.gz MOUDTRJLGWOGME-NEPJUHHUSA-N 0 3 299.371 -1.397 20 30 CAEDHN C#CCOC[C@@H](O)CN[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001251903427 780579811 /nfs/dbraw/zinc/57/98/11/780579811.db2.gz ITAZVKUODLQKNI-GUBZILKMSA-N 0 3 271.317 -2.035 20 30 CAEDHN COCC#CCN[C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001278667098 780587206 /nfs/dbraw/zinc/58/72/06/780587206.db2.gz NBGMMKIDTMIPME-JTQLQIEISA-N 0 3 267.329 -1.052 20 30 CAEDHN C=C[C@](C)(O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252584713 780588235 /nfs/dbraw/zinc/58/82/35/780588235.db2.gz DQWHVTIBFCCJIY-NSHDSACASA-N 0 3 272.305 -2.769 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc[nH]1 ZINC001278732184 780593538 /nfs/dbraw/zinc/59/35/38/780593538.db2.gz PUZUOGWIHRSVLT-NSHDSACASA-N 0 3 292.339 -1.213 20 30 CAEDHN CN(C[C@H](O)CNCC(N)=O)C(=O)CSCC#N ZINC001278730593 780593690 /nfs/dbraw/zinc/59/36/90/780593690.db2.gz FNXIIDJANJQHAR-MRVPVSSYSA-N 0 3 274.346 -1.863 20 30 CAEDHN C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737976 780594208 /nfs/dbraw/zinc/59/42/08/780594208.db2.gz XLQACJLVQIURLK-WDEREUQCSA-N 0 3 282.344 -1.143 20 30 CAEDHN C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737876 780594510 /nfs/dbraw/zinc/59/45/10/780594510.db2.gz VWDAYIFDSHGSNR-MNOVXSKESA-N 0 3 280.328 -1.696 20 30 CAEDHN C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737975 780594818 /nfs/dbraw/zinc/59/48/18/780594818.db2.gz XLQACJLVQIURLK-QWRGUYRKSA-N 0 3 282.344 -1.143 20 30 CAEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001278756543 780597170 /nfs/dbraw/zinc/59/71/70/780597170.db2.gz QUHBWLQMJQTNFS-JTQLQIEISA-N 0 3 255.318 -1.460 20 30 CAEDHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757004 780597349 /nfs/dbraw/zinc/59/73/49/780597349.db2.gz XUMXPZKDYGHKBF-PWSUYJOCSA-N 0 3 281.356 -1.057 20 30 CAEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001278754768 780597490 /nfs/dbraw/zinc/59/74/90/780597490.db2.gz AWVSCSMKHBUPLH-RYUDHWBXSA-N 0 3 281.356 -1.057 20 30 CAEDHN CC(C)C#CC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001278754766 780598041 /nfs/dbraw/zinc/59/80/41/780598041.db2.gz AWVSCSMKHBUPLH-NEPJUHHUSA-N 0 3 281.356 -1.057 20 30 CAEDHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757003 780598116 /nfs/dbraw/zinc/59/81/16/780598116.db2.gz XUMXPZKDYGHKBF-JQWIXIFHSA-N 0 3 281.356 -1.057 20 30 CAEDHN CC(C)C#CC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001278754769 780598247 /nfs/dbraw/zinc/59/82/47/780598247.db2.gz AWVSCSMKHBUPLH-VXGBXAGGSA-N 0 3 281.356 -1.057 20 30 CAEDHN COC[C@@H](O)CN1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 ZINC001278776473 780602999 /nfs/dbraw/zinc/60/29/99/780602999.db2.gz JGMSXDGAIJRGDH-DZGCQCFKSA-N 0 3 296.367 -1.040 20 30 CAEDHN C=CCn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001278811491 780607157 /nfs/dbraw/zinc/60/71/57/780607157.db2.gz VLMRRVDGDZWLCO-ZDUSSCGKSA-N 0 3 295.343 -1.377 20 30 CAEDHN CN1CC[C@](O)(CNC(=O)NCC(=O)NCC#N)C1 ZINC001261100736 780657003 /nfs/dbraw/zinc/65/70/03/780657003.db2.gz ZCZMFZDWEJXMAH-NSHDSACASA-N 0 3 269.305 -2.008 20 30 CAEDHN CN1CC[C@@](O)(CNC(=O)NCC(=O)NCC#N)C1 ZINC001261100735 780657752 /nfs/dbraw/zinc/65/77/52/780657752.db2.gz ZCZMFZDWEJXMAH-LLVKDONJSA-N 0 3 269.305 -2.008 20 30 CAEDHN CNC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CCO1 ZINC001261425366 780662838 /nfs/dbraw/zinc/66/28/38/780662838.db2.gz WNVFYOKHUBGKTP-UWVGGRQHSA-N 0 3 268.317 -1.019 20 30 CAEDHN CNC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC#N)CCO1 ZINC001261425367 780662885 /nfs/dbraw/zinc/66/28/85/780662885.db2.gz WNVFYOKHUBGKTP-VHSXEESVSA-N 0 3 268.317 -1.019 20 30 CAEDHN CNC(=O)[C@H]1CN(C(=O)[C@H](N)CCCC#N)CCO1 ZINC001261425365 780663041 /nfs/dbraw/zinc/66/30/41/780663041.db2.gz WNVFYOKHUBGKTP-NXEZZACHSA-N 0 3 268.317 -1.019 20 30 CAEDHN C#C[C@H]1COCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC001262204504 780704343 /nfs/dbraw/zinc/70/43/43/780704343.db2.gz UVOCXMBWRURJRQ-LBPRGKRZSA-N 0 3 294.355 -2.132 20 30 CAEDHN COCC#CCN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001265441570 780749734 /nfs/dbraw/zinc/74/97/34/780749734.db2.gz LUCINXJWPWVWKN-JTQLQIEISA-N 0 3 278.316 -1.336 20 30 CAEDHN CCOCC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001265418345 780749934 /nfs/dbraw/zinc/74/99/34/780749934.db2.gz DOQFKGKPDRBDAJ-JTQLQIEISA-N 0 3 268.317 -1.147 20 30 CAEDHN C#CCN[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001265440086 780750038 /nfs/dbraw/zinc/75/00/38/780750038.db2.gz DEUQVDUUVVXKAM-VIFPVBQESA-N 0 3 274.346 -2.136 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001265460833 780751222 /nfs/dbraw/zinc/75/12/22/780751222.db2.gz ANIFHOWRWLXRLH-NSHDSACASA-N 0 3 290.327 -1.287 20 30 CAEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CNC(=O)NC ZINC001265781621 780756517 /nfs/dbraw/zinc/75/65/17/780756517.db2.gz IOIYTUZAMKYOCZ-UWVGGRQHSA-N 0 3 299.375 -1.300 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CC(=O)NCC ZINC001265769418 780756814 /nfs/dbraw/zinc/75/68/14/780756814.db2.gz UZDVUPKCXIFPOG-MNOVXSKESA-N 0 3 296.371 -1.255 20 30 CAEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CC(=O)NCC ZINC001265769419 780756828 /nfs/dbraw/zinc/75/68/28/780756828.db2.gz UZDVUPKCXIFPOG-QWRGUYRKSA-N 0 3 296.371 -1.255 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)CC(C)(C)O ZINC001265771015 780757402 /nfs/dbraw/zinc/75/74/02/780757402.db2.gz OHHLZDCZOBOBDB-SNVBAGLBSA-N 0 3 269.345 -1.009 20 30 CAEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001265793972 780758849 /nfs/dbraw/zinc/75/88/49/780758849.db2.gz DVEJMAVEMPFZLN-MNOVXSKESA-N 0 3 294.355 -1.644 20 30 CAEDHN COCC#CCN[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001265832830 780759500 /nfs/dbraw/zinc/75/95/00/780759500.db2.gz RHLSHCSIFOGPJG-UWVGGRQHSA-N 0 3 296.327 -1.671 20 30 CAEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001265819094 780760364 /nfs/dbraw/zinc/76/03/64/780760364.db2.gz YLSKVZXFXGQFEW-VHSXEESVSA-N 0 3 294.355 -1.516 20 30 CAEDHN C[C@@H](CNC(=O)Cc1cncn1C)NCC(=O)NCC#N ZINC001265852311 780761284 /nfs/dbraw/zinc/76/12/84/780761284.db2.gz ZQQVAFJDCXCBIV-JTQLQIEISA-N 0 3 292.343 -1.303 20 30 CAEDHN C=CCn1cc(C(=O)NC[C@H](C)NCC(=O)NC)nn1 ZINC001265835448 780761764 /nfs/dbraw/zinc/76/17/64/780761764.db2.gz NZOQQDSZZGYUOI-VIFPVBQESA-N 0 3 280.332 -1.082 20 30 CAEDHN C=CCn1cc(C(=O)NC[C@@H](C)NCC(=O)NC)nn1 ZINC001265835447 780762020 /nfs/dbraw/zinc/76/20/20/780762020.db2.gz NZOQQDSZZGYUOI-SECBINFHSA-N 0 3 280.332 -1.082 20 30 CAEDHN C=CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001265854081 780762140 /nfs/dbraw/zinc/76/21/40/780762140.db2.gz WNCFZVADYNOYCB-UWVGGRQHSA-N 0 3 282.344 -1.339 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001265901474 780763208 /nfs/dbraw/zinc/76/32/08/780763208.db2.gz XYCHUZZLNXQVNO-DTWKUNHWSA-N 0 3 295.299 -2.075 20 30 CAEDHN CC(C)[C@@H](O)C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001265900786 780763369 /nfs/dbraw/zinc/76/33/69/780763369.db2.gz JMMAVJJKFAHJOU-CMPLNLGQSA-N 0 3 282.344 -1.166 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001265900521 780763577 /nfs/dbraw/zinc/76/35/77/780763577.db2.gz AKVUREGTVZMNDO-NSHDSACASA-N 0 3 288.311 -1.080 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001265893124 780763626 /nfs/dbraw/zinc/76/36/26/780763626.db2.gz ZNAJKUBOAHEYCV-MNOVXSKESA-N 0 3 280.328 -1.147 20 30 CAEDHN C[C@H](CNC(=O)c1ccn(C)n1)NCC(=O)NCC#N ZINC001265863806 780763719 /nfs/dbraw/zinc/76/37/19/780763719.db2.gz LCEQWLVBEYAVMP-SECBINFHSA-N 0 3 278.316 -1.232 20 30 CAEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001265893125 780763749 /nfs/dbraw/zinc/76/37/49/780763749.db2.gz ZNAJKUBOAHEYCV-QWRGUYRKSA-N 0 3 280.328 -1.147 20 30 CAEDHN Cc1n[nH]nc1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 ZINC001265922984 780764774 /nfs/dbraw/zinc/76/47/74/780764774.db2.gz DKYIOIJAZXGCQT-VIFPVBQESA-N 0 3 291.315 -1.443 20 30 CAEDHN C#CCNC1(CNC(=O)CNS(=O)(=O)NC)CCC1 ZINC001280494873 780783003 /nfs/dbraw/zinc/78/30/03/780783003.db2.gz GKBALYRYKHIZJO-UHFFFAOYSA-N 0 3 288.373 -1.698 20 30 CAEDHN COCC#CCNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280566378 780783737 /nfs/dbraw/zinc/78/37/37/780783737.db2.gz MGEMLRPPLYKNAB-NSHDSACASA-N 0 3 283.328 -1.671 20 30 CAEDHN C=CCNC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280565707 780783959 /nfs/dbraw/zinc/78/39/59/780783959.db2.gz 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C=CCOCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001181644497 781695776 /nfs/dbraw/zinc/69/57/76/781695776.db2.gz PQDDRMZWCNXIEP-SNVBAGLBSA-N 0 3 298.343 -1.165 20 30 CAEDHN C=CCOCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001181600259 781695861 /nfs/dbraw/zinc/69/58/61/781695861.db2.gz YLQPRBNIRLPGHK-VHSXEESVSA-N 0 3 298.343 -1.037 20 30 CAEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181600298 781696062 /nfs/dbraw/zinc/69/60/62/781696062.db2.gz YXMHGAYYDWMGET-GHMZBOCLSA-N 0 3 294.355 -1.242 20 30 CAEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001181652074 781697465 /nfs/dbraw/zinc/69/74/65/781697465.db2.gz IELHQQDLXXJRHG-VHSXEESVSA-N 0 3 263.301 -1.024 20 30 CAEDHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001181652714 781697607 /nfs/dbraw/zinc/69/76/07/781697607.db2.gz OWVROUXMNPXCFD-DTWKUNHWSA-N 0 3 281.316 -1.208 20 30 CAEDHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001181674250 781697860 /nfs/dbraw/zinc/69/78/60/781697860.db2.gz 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C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303470 781718292 /nfs/dbraw/zinc/71/82/92/781718292.db2.gz XSKGQJYWFHLMSG-SNVBAGLBSA-N 0 3 292.343 -1.079 20 30 CAEDHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182390074 781721700 /nfs/dbraw/zinc/72/17/00/781721700.db2.gz YHBBLXJHXACETR-SNVBAGLBSA-N 0 3 278.312 -1.215 20 30 CAEDHN N#CCNC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174032 781722197 /nfs/dbraw/zinc/72/21/97/781722197.db2.gz MBJYEWPCPDEKAV-UHFFFAOYSA-N 0 3 292.299 -1.927 20 30 CAEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623062 781723949 /nfs/dbraw/zinc/72/39/49/781723949.db2.gz DGDKEHDJCVHQDL-SECBINFHSA-N 0 3 292.303 -2.497 20 30 CAEDHN C#CCOCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182496544 781724215 /nfs/dbraw/zinc/72/42/15/781724215.db2.gz NVBVRLXRBDZGOT-SNVBAGLBSA-N 0 3 296.327 -1.588 20 30 CAEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182504916 781724459 /nfs/dbraw/zinc/72/44/59/781724459.db2.gz NVHPGHFVQZVHMF-NXEZZACHSA-N 0 3 253.302 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