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ZINC000852817567 583555635 /nfs/dbraw/zinc/55/56/35/583555635.db2.gz ZPVVMWORTPCDIU-UHFFFAOYSA-N 0 3 291.311 -0.538 20 30 CBEDHN COC(=O)Cc1nc(NC(=O)C#CC2CC[NH2+]CC2)n[n-]1 ZINC000852817567 583555637 /nfs/dbraw/zinc/55/56/37/583555637.db2.gz ZPVVMWORTPCDIU-UHFFFAOYSA-N 0 3 291.311 -0.538 20 30 CBEDHN C=CCn1cc(CNC(=O)C2=NO[C@@H](CN)C2)nn1 ZINC000852892734 583570410 /nfs/dbraw/zinc/57/04/10/583570410.db2.gz JSTUVWKHHMTXKW-SECBINFHSA-N 0 3 264.289 -0.816 20 30 CBEDHN C#CCN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000852923513 583575195 /nfs/dbraw/zinc/57/51/95/583575195.db2.gz CBUYOYMMLUFVID-MNOVXSKESA-N 0 3 251.330 -0.336 20 30 CBEDHN COC(=O)N(C)CCNC[C@@H](O)CN(C)CCC#N ZINC000853119849 583578353 /nfs/dbraw/zinc/57/83/53/583578353.db2.gz ZFSWYEAOVQWADH-LLVKDONJSA-N 0 3 272.349 -0.519 20 30 CBEDHN C#CCN(C)CCCNC(=O)N1CCC(CO)(CO)C1 ZINC000854094315 583595195 /nfs/dbraw/zinc/59/51/95/583595195.db2.gz LRTLIUCUIFOUIE-UHFFFAOYSA-N 0 3 283.372 -0.672 20 30 CBEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000854355310 583600376 /nfs/dbraw/zinc/60/03/76/583600376.db2.gz YXEWRHJLJQPGFY-CABCVRRESA-N 0 3 290.411 -0.410 20 30 CBEDHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000854465945 583604310 /nfs/dbraw/zinc/60/43/10/583604310.db2.gz VDTNWGOCAVZEBJ-OLZOCXBDSA-N 0 3 277.324 -0.370 20 30 CBEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000854467582 583604733 /nfs/dbraw/zinc/60/47/33/583604733.db2.gz VLFWUNFXVWLTGK-NEPJUHHUSA-N 0 3 253.346 -0.877 20 30 CBEDHN C=C(CN(C)C)C(=O)N[C@@H](CO)CC(=O)OCC ZINC000854539885 583606515 /nfs/dbraw/zinc/60/65/15/583606515.db2.gz PTVSOBFNCIMGFC-SNVBAGLBSA-N 0 3 258.318 -0.466 20 30 CBEDHN C=C(CO)C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000854642368 583614173 /nfs/dbraw/zinc/61/41/73/583614173.db2.gz KXZIPKLDHWLMOQ-VXGBXAGGSA-N 0 3 254.330 -0.144 20 30 CBEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000854664112 583614958 /nfs/dbraw/zinc/61/49/58/583614958.db2.gz MTIJMDAMLFQYDW-LLVKDONJSA-N 0 3 290.371 -0.718 20 30 CBEDHN C#C[C@H](CO)NC(=O)c1ccn(CCN(C)C)n1 ZINC000854777394 583622092 /nfs/dbraw/zinc/62/20/92/583622092.db2.gz BPZKFAIUDNCMLV-SNVBAGLBSA-N 0 3 250.302 -0.831 20 30 CBEDHN C#C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)C1CCOCC1 ZINC000856106744 583655801 /nfs/dbraw/zinc/65/58/01/583655801.db2.gz YTRXRATZAAJQLP-HUUCEWRRSA-N 0 3 291.395 -0.079 20 30 CBEDHN C#CC[C@@H](COC)NC(=O)NCCN(C)CCOC ZINC000858193092 583687905 /nfs/dbraw/zinc/68/79/05/583687905.db2.gz TYFGYRRLVSLYPI-LBPRGKRZSA-N 0 3 271.361 -0.098 20 30 CBEDHN C=CCS(=O)(=O)CCNc1nc(N)nc(N)n1 ZINC000858479434 583695922 /nfs/dbraw/zinc/69/59/22/583695922.db2.gz RXPMTXDGJIKDEF-UHFFFAOYSA-N 0 3 258.307 -0.951 20 30 CBEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1COCCN1C ZINC000858493210 583696373 /nfs/dbraw/zinc/69/63/73/583696373.db2.gz MFYRTMJHJIJJDP-CYBMUJFWSA-N 0 3 282.388 -0.429 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N1CCC(N2CCOCC2)CC1 ZINC000859357924 583715695 /nfs/dbraw/zinc/71/56/95/583715695.db2.gz OOIGLWZKHUFHNB-CYBMUJFWSA-N 0 3 279.384 -0.079 20 30 CBEDHN COCCNC(=O)C(C#N)C(=O)Cn1nccc1C ZINC000860470346 583747506 /nfs/dbraw/zinc/74/75/06/583747506.db2.gz ZDKOGKZNSNPSRD-SNVBAGLBSA-N 0 3 264.285 -0.337 20 30 CBEDHN COCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000860468852 583747510 /nfs/dbraw/zinc/74/75/10/583747510.db2.gz MMKWLDRXRNQFAV-KXUCPTDWSA-N 0 3 298.295 -0.822 20 30 CBEDHN C=CCNC(=O)C(C#N)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000860471725 583747770 /nfs/dbraw/zinc/74/77/70/583747770.db2.gz RDKFRGPYTGAKJE-SNVBAGLBSA-N 0 3 290.279 -0.319 20 30 CBEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1COC(=O)N1 ZINC000860483678 583747840 /nfs/dbraw/zinc/74/78/40/583747840.db2.gz SELYLVALHXWLLE-YUMQZZPRSA-N 0 3 274.236 -0.163 20 30 CBEDHN C#CCOCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861710987 583780059 /nfs/dbraw/zinc/78/00/59/583780059.db2.gz FCHLGGSTCQNBFK-STQMWFEESA-N 0 3 266.341 -0.306 20 30 CBEDHN C=C(CN(C)C)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000862649377 583813910 /nfs/dbraw/zinc/81/39/10/583813910.db2.gz XUGVLJUQMCCRCM-LBPRGKRZSA-N 0 3 282.388 -0.440 20 30 CBEDHN C#CCN1CCC(C(=O)NC[C@H](O)[C@H]2CCCO2)CC1 ZINC000862651982 583814201 /nfs/dbraw/zinc/81/42/01/583814201.db2.gz RPUYENSGAGRWOH-UONOGXRCSA-N 0 3 280.368 -0.012 20 30 CBEDHN C#CCN1CCC(C(=O)NC[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000862651981 583814256 /nfs/dbraw/zinc/81/42/56/583814256.db2.gz RPUYENSGAGRWOH-KGLIPLIRSA-N 0 3 280.368 -0.012 20 30 CBEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000862819437 583824130 /nfs/dbraw/zinc/82/41/30/583824130.db2.gz QINGNOXDNDMWKV-HAQNSBGRSA-N 0 3 263.341 -0.288 20 30 CBEDHN C#CCN1CCC[C@H]1C(=O)NCCN1CC[C@@H](O)C1 ZINC000863323630 583838316 /nfs/dbraw/zinc/83/83/16/583838316.db2.gz QMHGMSGIBZLGTL-OLZOCXBDSA-N 0 3 265.357 -0.733 20 30 CBEDHN C#CC[C@H](COC)NC[C@H](O)CN1CCN(C)CC1 ZINC000863588522 583848001 /nfs/dbraw/zinc/84/80/01/583848001.db2.gz BGQYXTPTUDODAS-KGLIPLIRSA-N 0 3 269.389 -0.777 20 30 CBEDHN C#CCNC(=S)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865243503 583901273 /nfs/dbraw/zinc/90/12/73/583901273.db2.gz PNDGPNXDDDASDM-JTQLQIEISA-N 0 3 255.387 -0.071 20 30 CBEDHN C#CC[C@H](COC)NS(=O)(=O)CCCN(C)C ZINC000867569172 583958228 /nfs/dbraw/zinc/95/82/28/583958228.db2.gz VXZWSFRCWMOEQX-LLVKDONJSA-N 0 3 262.375 -0.104 20 30 CBEDHN CN(C)C[C@H](CO)NC(=O)[C@]1(C#N)CCCOC1 ZINC000868345596 583975445 /nfs/dbraw/zinc/97/54/45/583975445.db2.gz LQARSDBRTAUAGL-PWSUYJOCSA-N 0 3 255.318 -0.655 20 30 CBEDHN C#CCOCCC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869778763 584004342 /nfs/dbraw/zinc/00/43/42/584004342.db2.gz JIQKSVLFNCSBGM-LBPRGKRZSA-N 0 3 268.357 -0.012 20 30 CBEDHN C=CCS(=O)(=O)CCNC[C@@H](O)CC(C)(C)O ZINC000872206571 584050267 /nfs/dbraw/zinc/05/02/67/584050267.db2.gz XDYHMVCVHZKETE-JTQLQIEISA-N 0 3 265.375 -0.301 20 30 CBEDHN C#CCNC(=O)CCN1CCNC(=O)CC12CCOCC2 ZINC000872283899 584053201 /nfs/dbraw/zinc/05/32/01/584053201.db2.gz IJBCVSHSOCVDAE-UHFFFAOYSA-N 0 3 293.367 -0.503 20 30 CBEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc(C#N)n1 ZINC000874839730 584092717 /nfs/dbraw/zinc/09/27/17/584092717.db2.gz XOMGCFWPEAPWHW-QWRGUYRKSA-N 0 3 274.328 -0.155 20 30 CBEDHN C#CC[C@H](COC)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000875124877 584099125 /nfs/dbraw/zinc/09/91/25/584099125.db2.gz AVYCCEQCRKGWKR-LLVKDONJSA-N 0 3 281.356 -0.649 20 30 CBEDHN C#CC[C@@H](COC)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000875124878 584099164 /nfs/dbraw/zinc/09/91/64/584099164.db2.gz AVYCCEQCRKGWKR-NSHDSACASA-N 0 3 281.356 -0.649 20 30 CBEDHN C#CC[C@H](COC)NC(=O)NCCOCCN(C)C ZINC000875524362 584107410 /nfs/dbraw/zinc/10/74/10/584107410.db2.gz VCBZICZFKULDNP-GFCCVEGCSA-N 0 3 271.361 -0.098 20 30 CBEDHN C#CC[C@@H](COC)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000875604994 584110877 /nfs/dbraw/zinc/11/08/77/584110877.db2.gz DHYFHFKETGBWMX-ZDUSSCGKSA-N 0 3 295.383 -0.305 20 30 CBEDHN C#CC[C@H](COC)NC(=O)NC[C@@](C)(O)CN(C)C ZINC000875925602 584120331 /nfs/dbraw/zinc/12/03/31/584120331.db2.gz TYCAVVSOVMOUDE-DGCLKSJQSA-N 0 3 271.361 -0.364 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000876511556 584130337 /nfs/dbraw/zinc/13/03/37/584130337.db2.gz MIXLVBIVSLCGOR-SNVBAGLBSA-N 0 3 288.779 -0.654 20 30 CBEDHN C=C(Cl)C[C@H](N)C(=O)NCCN1C(=O)CCC1=O ZINC000876662032 584137633 /nfs/dbraw/zinc/13/76/33/584137633.db2.gz UIIIAEGQTOOJFG-QMMMGPOBSA-N 0 3 273.720 -0.279 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000876783385 584144560 /nfs/dbraw/zinc/14/45/60/584144560.db2.gz AKHBYTIHACLSID-GHMZBOCLSA-N 0 3 274.796 -0.182 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCNC[C@H]1C(=O)OC ZINC000876846260 584149133 /nfs/dbraw/zinc/14/91/33/584149133.db2.gz ACECORIIJDCUID-ZJUUUORDSA-N 0 3 289.763 -0.180 20 30 CBEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@H]1C(=O)OC ZINC000876880852 584152455 /nfs/dbraw/zinc/15/24/55/584152455.db2.gz OCCDFEGXFJVBAX-IUCAKERBSA-N 0 3 276.720 -0.143 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1COCCN1C ZINC000877034395 584162714 /nfs/dbraw/zinc/16/27/14/584162714.db2.gz GXJGROWYTIABRA-VHSXEESVSA-N 0 3 261.753 -0.097 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000877080250 584164920 /nfs/dbraw/zinc/16/49/20/584164920.db2.gz OPMWQXDRTYTINW-RKDXNWHRSA-N 0 3 275.736 -0.441 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877238859 584171804 /nfs/dbraw/zinc/17/18/04/584171804.db2.gz DUGMKTXKOYRODP-HRDYMLBCSA-N 0 3 285.731 -0.471 20 30 CBEDHN N#CCCN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000877251471 584172937 /nfs/dbraw/zinc/17/29/37/584172937.db2.gz QQNKGTWIIZSSBF-SNVBAGLBSA-N 0 3 265.317 -0.852 20 30 CBEDHN CNCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000877296307 584176311 /nfs/dbraw/zinc/17/63/11/584176311.db2.gz ATTVBLKGZHEUHQ-UHFFFAOYSA-N 0 3 259.313 -0.179 20 30 CBEDHN C#CCNC(=O)C1CCN(CCn2cnnn2)CC1 ZINC000878018386 584190373 /nfs/dbraw/zinc/19/03/73/584190373.db2.gz IXCWPGQQVMEIOC-UHFFFAOYSA-N 0 3 262.317 -0.866 20 30 CBEDHN C#CC[C@@H](CO)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000878808243 584217656 /nfs/dbraw/zinc/21/76/56/584217656.db2.gz PGWAIVVDEILUGR-NSHDSACASA-N 0 3 279.344 -0.050 20 30 CBEDHN C#CCN(C[C@@H](O)CN(C)CCOC)C1CSC1 ZINC000878910346 584220468 /nfs/dbraw/zinc/22/04/68/584220468.db2.gz LTWAHNFVKAYJDS-ZDUSSCGKSA-N 0 3 272.414 -0.024 20 30 CBEDHN C#CCNC(=O)[C@H](C)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879158651 584228828 /nfs/dbraw/zinc/22/88/28/584228828.db2.gz XCEBFTSEFNHYFZ-QCZZGDTMSA-N 0 3 277.324 -0.891 20 30 CBEDHN C#CCNC(=O)CCN1CCCC[C@@H]1CNC(=O)NC ZINC000879338576 584232653 /nfs/dbraw/zinc/23/26/53/584232653.db2.gz WTXOFVAAYLAXKW-GFCCVEGCSA-N 0 3 280.372 -0.091 20 30 CBEDHN C=CCN1CC[C@H](N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879535875 584239712 /nfs/dbraw/zinc/23/97/12/584239712.db2.gz UMSUVCAXRCMTIE-AXFHLTTASA-N 0 3 277.324 -0.680 20 30 CBEDHN C#CCO[C@H](C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000879992328 584258325 /nfs/dbraw/zinc/25/83/25/584258325.db2.gz KOTNZSGPMWVILT-NEPJUHHUSA-N 0 3 254.330 -0.402 20 30 CBEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000879994363 584258811 /nfs/dbraw/zinc/25/88/11/584258811.db2.gz DHTTUMYCXDWHSJ-DGCLKSJQSA-N 0 3 256.346 -0.114 20 30 CBEDHN C=CCNC(=O)NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880069211 584260209 /nfs/dbraw/zinc/26/02/09/584260209.db2.gz ZSFTXTFMDHFINS-NWDGAFQWSA-N 0 3 296.371 -0.861 20 30 CBEDHN C#CCC1(O)CCN(CCC(=O)NC(N)=O)CC1 ZINC000880478300 584274811 /nfs/dbraw/zinc/27/48/11/584274811.db2.gz ZYFXAMBQFQJQLQ-UHFFFAOYSA-N 0 3 253.302 -0.578 20 30 CBEDHN C#CCC1(O)CCN(C[C@@](C)(O)C(=O)OC)CC1 ZINC000880483709 584275345 /nfs/dbraw/zinc/27/53/45/584275345.db2.gz JQAHWLDYGATEAH-GFCCVEGCSA-N 0 3 255.314 -0.239 20 30 CBEDHN C#CC1(F)CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000881941847 584301688 /nfs/dbraw/zinc/30/16/88/584301688.db2.gz PLRVSQIEAZDSDC-LLVKDONJSA-N 0 3 251.305 -0.440 20 30 CBEDHN C#CC[C@H](CO)NCc1ccc(S(N)(=O)=O)cc1 ZINC000883125623 584337374 /nfs/dbraw/zinc/33/73/74/584337374.db2.gz OTNICPPQYLBUED-LLVKDONJSA-N 0 3 268.338 -0.192 20 30 CBEDHN C#CC1(F)CN(C(=O)NCCN(C)CCOC)C1 ZINC000883299530 584339493 /nfs/dbraw/zinc/33/94/93/584339493.db2.gz XKMPHYXCMOHWMN-UHFFFAOYSA-N 0 3 257.309 -0.069 20 30 CBEDHN C#CCN(C)CCCNC(=O)N1CC=C[C@H]1CO ZINC000883713642 584347314 /nfs/dbraw/zinc/34/73/14/584347314.db2.gz SWZJNHCPGXVBCO-LBPRGKRZSA-N 0 3 251.330 -0.116 20 30 CBEDHN C[C@H]1CN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CCN1 ZINC000884032409 584356611 /nfs/dbraw/zinc/35/66/11/584356611.db2.gz QJYQJJTVBWYDLV-WDBLDGLGSA-N 0 3 262.357 -0.054 20 30 CBEDHN CC[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884124226 584360800 /nfs/dbraw/zinc/36/08/00/584360800.db2.gz QSZCRGXFSJPWOD-OOLXCHQQSA-N 0 3 290.367 -0.137 20 30 CBEDHN C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000884292679 584372549 /nfs/dbraw/zinc/37/25/49/584372549.db2.gz ILSRJVAEGCYSOQ-GUBZILKMSA-N 0 3 273.308 -0.751 20 30 CBEDHN C#CCC1(NCc2cn(C)c(=O)n(C)c2=O)CCOCC1 ZINC000886381464 584438798 /nfs/dbraw/zinc/43/87/98/584438798.db2.gz DMEVDIUUOJMJSU-UHFFFAOYSA-N 0 3 291.351 -0.254 20 30 CBEDHN C#CCN(C(=O)[C@H]1CN(C)CCO1)C1CCN(C)CC1 ZINC000886581027 584443798 /nfs/dbraw/zinc/44/37/98/584443798.db2.gz HBIXHUDEJMYLOQ-CQSZACIVSA-N 0 3 279.384 -0.127 20 30 CBEDHN C#CCNC(=O)CCN1CC[C@H](NC(=O)OC)C1 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C#CCNC(=O)CN[C@H](C)CN(C)C(=O)C1(C)CC1 ZINC001331456616 886811570 /nfs/dbraw/zinc/81/15/70/886811570.db2.gz VEZLLKMFVBLEQS-LLVKDONJSA-N 0 3 265.357 -0.028 20 30 CBEDHN C#CC[C@H](CO)NCc1c(C)nn(CCO)c1C ZINC001331503329 886826880 /nfs/dbraw/zinc/82/68/80/886826880.db2.gz ZONCIENYZOXSDF-GFCCVEGCSA-N 0 3 251.330 -0.034 20 30 CBEDHN C[C@@H](CN(C)C(=O)C(N)=O)NCc1ccc(C#N)cc1 ZINC001331545092 886839133 /nfs/dbraw/zinc/83/91/33/886839133.db2.gz SIAPAMPDLIVWGD-JTQLQIEISA-N 0 3 274.324 -0.020 20 30 CBEDHN C=CCOCCN[C@H](CO)CNC(=O)C#CC(C)C ZINC001331703635 886918399 /nfs/dbraw/zinc/91/83/99/886918399.db2.gz CIKKTHQWEWMDFG-ZDUSSCGKSA-N 0 3 268.357 -0.085 20 30 CBEDHN C=C(C)CN[C@H](CO)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001331803356 886988489 /nfs/dbraw/zinc/98/84/89/886988489.db2.gz HIDFOQLCBMRDFV-ZDUSSCGKSA-N 0 3 297.399 -0.112 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001331825636 887001136 /nfs/dbraw/zinc/00/11/36/887001136.db2.gz PQMIPDFYXJKSLL-VXGBXAGGSA-N 0 3 283.372 -0.502 20 30 CBEDHN C=CCN1CCC(NC(=O)Cn2cnc(N)n2)CC1 ZINC001331874492 887023120 /nfs/dbraw/zinc/02/31/20/887023120.db2.gz UZVRVVZKMFZZKJ-UHFFFAOYSA-N 0 3 264.333 -0.373 20 30 CBEDHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CSCC#N)C1 ZINC001331956091 887060101 /nfs/dbraw/zinc/06/01/01/887060101.db2.gz AFAPURYYAJDFNK-ZJUUUORDSA-N 0 3 284.385 -0.432 20 30 CBEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001331956440 887060521 /nfs/dbraw/zinc/06/05/21/887060521.db2.gz DEZIYJKYSZBFCJ-GHMZBOCLSA-N 0 3 267.329 -0.055 20 30 CBEDHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331975192 887072823 /nfs/dbraw/zinc/07/28/23/887072823.db2.gz GTDXXTGUICTJFV-RYUDHWBXSA-N 0 3 265.357 -0.029 20 30 CBEDHN COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc[n-]n2)C1 ZINC001332030389 887086844 /nfs/dbraw/zinc/08/68/44/887086844.db2.gz IDMSXOGYFMQGND-QWRGUYRKSA-N 0 3 277.328 -0.353 20 30 CBEDHN CCc1nncn1CCNC(=O)[C@@H](N)CCCC#N ZINC001332142588 887129209 /nfs/dbraw/zinc/12/92/09/887129209.db2.gz XMDLMEUPRSUKGZ-JTQLQIEISA-N 0 3 264.333 -0.022 20 30 CBEDHN CN(C)C[C@@H]1NC(=O)N(C2CCN(CC#N)CC2)C1=O ZINC001332387842 887245167 /nfs/dbraw/zinc/24/51/67/887245167.db2.gz UFCWVSSUTIVEMN-NSHDSACASA-N 0 3 279.344 -0.544 20 30 CBEDHN CCCC(=O)N(C)C[C@H](O)CNCC#CCOC ZINC001332471960 887302765 /nfs/dbraw/zinc/30/27/65/887302765.db2.gz OENAFKZRYKWCNX-GFCCVEGCSA-N 0 3 256.346 -0.155 20 30 CBEDHN CCCC(=O)N(C)C[C@@H](O)CNCC#CCOC ZINC001332471961 887303207 /nfs/dbraw/zinc/30/32/07/887303207.db2.gz OENAFKZRYKWCNX-LBPRGKRZSA-N 0 3 256.346 -0.155 20 30 CBEDHN CC(C)C#CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001332503722 887326626 /nfs/dbraw/zinc/32/66/26/887326626.db2.gz KLFSQKGAGJPJHF-QWHCGFSZSA-N 0 3 297.399 -0.469 20 30 CBEDHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C#CC(C)(C)C ZINC001332503049 887327435 /nfs/dbraw/zinc/32/74/35/887327435.db2.gz DZTYFXUHHNOTKB-LLVKDONJSA-N 0 3 283.372 -0.809 20 30 CBEDHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C#CC(C)(C)C ZINC001332503053 887327508 /nfs/dbraw/zinc/32/75/08/887327508.db2.gz DZTYFXUHHNOTKB-NSHDSACASA-N 0 3 283.372 -0.809 20 30 CBEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)c1ccsn1 ZINC001332530924 887343122 /nfs/dbraw/zinc/34/31/22/887343122.db2.gz YDGRAZCYUXRTLB-LLVKDONJSA-N 0 3 297.380 -0.185 20 30 CBEDHN C#C[C@H](NC[C@@H](O)C1(O)CCOCC1)[C@@H]1CCCO1 ZINC001332896661 887464954 /nfs/dbraw/zinc/46/49/54/887464954.db2.gz AXDOUNIKYAMYOD-RWMBFGLXSA-N 0 3 269.341 -0.341 20 30 CBEDHN C#C[C@H](NC[C@@H](O)C1(O)CCOCC1)[C@H]1CCCO1 ZINC001332896663 887465352 /nfs/dbraw/zinc/46/53/52/887465352.db2.gz AXDOUNIKYAMYOD-YNEHKIRRSA-N 0 3 269.341 -0.341 20 30 CBEDHN C#CCCN(CCNC(=O)[C@@H]1CCCNC1=O)CCOC ZINC001332913716 887472399 /nfs/dbraw/zinc/47/23/99/887472399.db2.gz KPFNELLUGZQZSK-CYBMUJFWSA-N 0 3 295.383 -0.400 20 30 CBEDHN CN(CCOCCNCC(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001333219567 887563606 /nfs/dbraw/zinc/56/36/06/887563606.db2.gz XQLDKHJCXBSLMH-UHFFFAOYSA-N 0 3 293.327 -0.950 20 30 CBEDHN N#Cc1ncn(CCNC[C@@H](O)c2ccccn2)n1 ZINC001333671913 887739927 /nfs/dbraw/zinc/73/99/27/887739927.db2.gz 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-0.972 20 30 CBEDHN C#CCN(C)CCCNC(=O)C1CN(C(C)=O)C1 ZINC000293861338 220315172 /nfs/dbraw/zinc/31/51/72/220315172.db2.gz BDRXWPAFWKWPIQ-UHFFFAOYSA-N 0 3 251.330 -0.464 20 30 CBEDHN C#CCNC(=O)CC[N@@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293734003 220315207 /nfs/dbraw/zinc/31/52/07/220315207.db2.gz ZNPVVLYVYAEJLP-SNVBAGLBSA-N 0 3 277.328 -0.583 20 30 CBEDHN C#CCNC(=O)CC[N@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293734003 220315208 /nfs/dbraw/zinc/31/52/08/220315208.db2.gz ZNPVVLYVYAEJLP-SNVBAGLBSA-N 0 3 277.328 -0.583 20 30 CBEDHN C#CCN1CCC(C(=O)NC[C@H](OC)C(=O)OC)CC1 ZINC000294058500 220315590 /nfs/dbraw/zinc/31/55/90/220315590.db2.gz PNVKURNUBSMLPH-LBPRGKRZSA-N 0 3 282.340 -0.364 20 30 CBEDHN CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000329100199 220331238 /nfs/dbraw/zinc/33/12/38/220331238.db2.gz DNKPMFWZTYDOLS-VXGBXAGGSA-N 0 3 270.377 -0.085 20 30 CBEDHN Cn1cnn(CC(=O)NCC2=CCN(C)CC2)c1=O ZINC000329414809 220336036 /nfs/dbraw/zinc/33/60/36/220336036.db2.gz 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/nfs/dbraw/zinc/59/42/80/820594280.db2.gz HNERZXGRYOSGPJ-AVGNSLFASA-N 0 3 295.383 -0.260 20 30 CBEDHN C#CCOCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)[C@@H]1C ZINC001178684937 820595291 /nfs/dbraw/zinc/59/52/91/820595291.db2.gz MKXZWLWULOZWAF-AGIUHOORSA-N 0 3 295.383 -0.260 20 30 CBEDHN C#CCOCCC(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C ZINC001178681725 820595552 /nfs/dbraw/zinc/59/55/52/820595552.db2.gz KARGZYPBECQEGQ-RYUDHWBXSA-N 0 3 281.356 -0.649 20 30 CBEDHN CC#CCN[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001178772498 820599750 /nfs/dbraw/zinc/59/97/50/820599750.db2.gz ZURXDRNIGXJZNK-JQWIXIFHSA-N 0 3 284.381 -0.367 20 30 CBEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C ZINC001179322710 820625529 /nfs/dbraw/zinc/62/55/29/820625529.db2.gz XOMMGNZADCWIEE-BJDJZHNGSA-N 0 3 278.356 -0.139 20 30 CBEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC)C1 ZINC001180546958 820684376 /nfs/dbraw/zinc/68/43/76/820684376.db2.gz JIPOAAQMZUJHRR-WDEREUQCSA-N 0 3 251.330 -0.275 20 30 CBEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COC)C1 ZINC001180547283 820684664 /nfs/dbraw/zinc/68/46/64/820684664.db2.gz MQCCRAKRFMQOMJ-WDEREUQCSA-N 0 3 269.345 -0.486 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC)C1 ZINC001180546957 820684821 /nfs/dbraw/zinc/68/48/21/820684821.db2.gz JIPOAAQMZUJHRR-GHMZBOCLSA-N 0 3 251.330 -0.275 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)COC)C1 ZINC001180571156 820694997 /nfs/dbraw/zinc/69/49/97/820694997.db2.gz ZUMGGTJRZPSACW-SNVBAGLBSA-N 0 3 255.318 -0.875 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001180587681 820696574 /nfs/dbraw/zinc/69/65/74/820696574.db2.gz PYOORZDBDFBKBT-LLVKDONJSA-N 0 3 251.330 -0.111 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001180633409 820703850 /nfs/dbraw/zinc/70/38/50/820703850.db2.gz DKMVKRCMUYWEAL-CYBMUJFWSA-N 0 3 295.383 -0.094 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001180828267 820728166 /nfs/dbraw/zinc/72/81/66/820728166.db2.gz KPSYWEQLMXCOMV-CMPLNLGQSA-N 0 3 296.371 -0.996 20 30 CBEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC)C1 ZINC001180809482 820728990 /nfs/dbraw/zinc/72/89/90/820728990.db2.gz BBAGERITEYFISJ-VXGBXAGGSA-N 0 3 283.372 -0.096 20 30 CBEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181076736 820752344 /nfs/dbraw/zinc/75/23/44/820752344.db2.gz UHVJIKGMTXWWDE-CHWSQXEVSA-N 0 3 282.340 -0.758 20 30 CBEDHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001181106566 820754816 /nfs/dbraw/zinc/75/48/16/820754816.db2.gz JTRAZQIJCYLTKW-LLVKDONJSA-N 0 3 298.412 -0.040 20 30 CBEDHN N#CCSCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001181116025 820756443 /nfs/dbraw/zinc/75/64/43/820756443.db2.gz WSCWEOKJLDKJJZ-LLVKDONJSA-N 0 3 296.396 -0.334 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001181160349 820763193 /nfs/dbraw/zinc/76/31/93/820763193.db2.gz MPBMEKYTDYAECJ-LLVKDONJSA-N 0 3 277.328 -0.484 20 30 CBEDHN Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)[nH]n1 ZINC001181287612 820771818 /nfs/dbraw/zinc/77/18/18/820771818.db2.gz OQYJBBIUDZNGIK-SNVBAGLBSA-N 0 3 290.327 -0.838 20 30 CBEDHN Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 ZINC001181287612 820771822 /nfs/dbraw/zinc/77/18/22/820771822.db2.gz OQYJBBIUDZNGIK-SNVBAGLBSA-N 0 3 290.327 -0.838 20 30 CBEDHN CO[C@H](C)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001181534994 820794841 /nfs/dbraw/zinc/79/48/41/820794841.db2.gz KPQVKGIJNAJEGX-GHMZBOCLSA-N 0 3 282.344 -0.758 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)COC)C1 ZINC001181550641 820796193 /nfs/dbraw/zinc/79/61/93/820796193.db2.gz NWGPFKQRZUDLHL-VXGBXAGGSA-N 0 3 283.372 -0.238 20 30 CBEDHN C=CCOCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001181617410 820805673 /nfs/dbraw/zinc/80/56/73/820805673.db2.gz CAFFCSDVJBVXAZ-VXGBXAGGSA-N 0 3 281.356 -0.390 20 30 CBEDHN C=CCOCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001181617409 820805731 /nfs/dbraw/zinc/80/57/31/820805731.db2.gz CAFFCSDVJBVXAZ-NEPJUHHUSA-N 0 3 281.356 -0.390 20 30 CBEDHN C=CCOCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001181644251 820806365 /nfs/dbraw/zinc/80/63/65/820806365.db2.gz KHZCOWSPWBEOPU-GFCCVEGCSA-N 0 3 281.356 -0.342 20 30 CBEDHN CSC[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001181660679 820808977 /nfs/dbraw/zinc/80/89/77/820808977.db2.gz CCNUIULZBMUUGG-WDEREUQCSA-N 0 3 298.412 -0.184 20 30 CBEDHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181878047 820835614 /nfs/dbraw/zinc/83/56/14/820835614.db2.gz DRJIDUSXVHDRLN-MWLCHTKSSA-N 0 3 289.339 -0.175 20 30 CBEDHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181878036 820836364 /nfs/dbraw/zinc/83/63/64/820836364.db2.gz DJTMUHMRYYVRNO-LLVKDONJSA-N 0 3 289.339 -0.173 20 30 CBEDHN Cc1ncoc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001181879113 820836486 /nfs/dbraw/zinc/83/64/86/820836486.db2.gz OIYALWOMQLREQL-SNVBAGLBSA-N 0 3 291.311 -0.573 20 30 CBEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001181920298 820840270 /nfs/dbraw/zinc/84/02/70/820840270.db2.gz FMXGTSZAGJCBFE-GFCCVEGCSA-N 0 3 288.351 -0.123 20 30 CBEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001181906516 820840688 /nfs/dbraw/zinc/84/06/88/820840688.db2.gz GYRGOHXFFUWHJF-DKRCXCIFSA-N 0 3 263.341 -0.108 20 30 CBEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001182014241 820848080 /nfs/dbraw/zinc/84/80/80/820848080.db2.gz DUDUYTJSYTYMNJ-GFCCVEGCSA-N 0 3 276.340 -0.126 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001182073703 820860490 /nfs/dbraw/zinc/86/04/90/820860490.db2.gz HQQQFURKOHBOJL-UPJWGTAASA-N 0 3 293.367 -0.506 20 30 CBEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001182068291 820860933 /nfs/dbraw/zinc/86/09/33/820860933.db2.gz XXOADFVYSDCQAM-OLZOCXBDSA-N 0 3 265.357 -0.469 20 30 CBEDHN Cc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)co1 ZINC001182156440 820881891 /nfs/dbraw/zinc/88/18/91/820881891.db2.gz JZOCGGMUHPZLOC-SNVBAGLBSA-N 0 3 291.311 -0.573 20 30 CBEDHN COCC#CCN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182178500 820888017 /nfs/dbraw/zinc/88/80/17/820888017.db2.gz AHHNTIAPPVDFAM-CYBMUJFWSA-N 0 3 291.355 -0.492 20 30 CBEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001182214682 820891718 /nfs/dbraw/zinc/89/17/18/820891718.db2.gz FLXKNYDFVSQJLI-MFKMUULPSA-N 0 3 269.345 -0.750 20 30 CBEDHN C#CCCCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001182221170 820893219 /nfs/dbraw/zinc/89/32/19/820893219.db2.gz YJXZEOGPQKYDCK-GHMZBOCLSA-N 0 3 251.330 -0.146 20 30 CBEDHN CCn1nncc1C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001182335916 820897109 /nfs/dbraw/zinc/89/71/09/820897109.db2.gz FQTFEJDNJUHYFE-GFCCVEGCSA-N 0 3 291.355 -0.248 20 30 CBEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182389686 820911660 /nfs/dbraw/zinc/91/16/60/820911660.db2.gz VEXUXKPEAMBSDF-GFCCVEGCSA-N 0 3 274.324 -0.770 20 30 CBEDHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182415030 820914369 /nfs/dbraw/zinc/91/43/69/820914369.db2.gz SYWZLTMIPCVPSW-GFCCVEGCSA-N 0 3 299.396 -0.861 20 30 CBEDHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182432232 820917210 /nfs/dbraw/zinc/91/72/10/820917210.db2.gz UALJCKNECLACRA-NWDGAFQWSA-N 0 3 265.357 -0.029 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001182766232 820942876 /nfs/dbraw/zinc/94/28/76/820942876.db2.gz WCKREVAVKYPFHM-CYBMUJFWSA-N 0 3 286.335 -0.365 20 30 CBEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001183032246 820967377 /nfs/dbraw/zinc/96/73/77/820967377.db2.gz CIGBARGYEYRDOD-NWDGAFQWSA-N 0 3 291.351 -0.262 20 30 CBEDHN CC#CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001183055261 820968931 /nfs/dbraw/zinc/96/89/31/820968931.db2.gz XXNRPABYASQDOL-GFCCVEGCSA-N 0 3 299.396 -0.764 20 30 CBEDHN C#CCC1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCOCC1 ZINC001183199813 820980782 /nfs/dbraw/zinc/98/07/82/820980782.db2.gz GWTFWQUNQXTECE-GFCCVEGCSA-N 0 3 293.367 -0.518 20 30 CBEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001183526519 820996545 /nfs/dbraw/zinc/99/65/45/820996545.db2.gz KCWTYYIWADODHE-GHMZBOCLSA-N 0 3 299.321 -0.028 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(COC)CC2)C1 ZINC001184247655 821062058 /nfs/dbraw/zinc/06/20/58/821062058.db2.gz DFCSPNOPTINHAB-GFCCVEGCSA-N 0 3 295.383 -0.094 20 30 CBEDHN CC#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001184543269 821080195 /nfs/dbraw/zinc/08/01/95/821080195.db2.gz JPMCAQQIZLYBLE-GFCCVEGCSA-N 0 3 291.355 -0.814 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001184659846 821082674 /nfs/dbraw/zinc/08/26/74/821082674.db2.gz GCRCFJJRKKQHPA-SECBINFHSA-N 0 3 295.368 -0.356 20 30 CBEDHN Cc1n[nH]cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001184739710 821085852 /nfs/dbraw/zinc/08/58/52/821085852.db2.gz ZVYRMBMLXJJFFC-SNVBAGLBSA-N 0 3 290.327 -0.838 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001185007340 821094809 /nfs/dbraw/zinc/09/48/09/821094809.db2.gz PCVNQUGPAQLBDU-NMKXLXIOSA-N 0 3 293.367 -0.629 20 30 CBEDHN CC(C)[C@@H](F)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 ZINC001184982585 821095467 /nfs/dbraw/zinc/09/54/67/821095467.db2.gz VIUIZKPAVUJCDB-ZYHUDNBSSA-N 0 3 284.335 -0.189 20 30 CBEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001185056491 821095894 /nfs/dbraw/zinc/09/58/94/821095894.db2.gz OBPBPQQVOAEVOU-WDEREUQCSA-N 0 3 296.371 -0.026 20 30 CBEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001185056371 821097269 /nfs/dbraw/zinc/09/72/69/821097269.db2.gz LFXZTTHUTUKJAD-GHMZBOCLSA-N 0 3 296.371 -0.026 20 30 CBEDHN N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001185099710 821097498 /nfs/dbraw/zinc/09/74/98/821097498.db2.gz OZCVOGKGKANNDV-LLVKDONJSA-N 0 3 291.311 -0.953 20 30 CBEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109160 821099039 /nfs/dbraw/zinc/09/90/39/821099039.db2.gz FCDXJUJBXVVWOC-CHWSQXEVSA-N 0 3 293.367 -0.553 20 30 CBEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633151 821137241 /nfs/dbraw/zinc/13/72/41/821137241.db2.gz MMOSCLBCGPTZIG-DOMZBBRYSA-N 0 3 293.367 -0.647 20 30 CBEDHN C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)O1 ZINC001185776168 821142579 /nfs/dbraw/zinc/14/25/79/821142579.db2.gz 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CC#CCNCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153386850 815160568 /nfs/dbraw/zinc/16/05/68/815160568.db2.gz MXBHNUWLIICQNW-UHFFFAOYSA-N 0 3 260.297 -0.477 20 30 CBEDHN C#CCNCCNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001153420438 815161024 /nfs/dbraw/zinc/16/10/24/815161024.db2.gz JSZXCJWETQPOAR-ZDUSSCGKSA-N 0 3 265.357 -0.028 20 30 CBEDHN C#CCNCCNC(=O)[C@H](C)NC(=O)C1CCC1 ZINC001153693543 815172103 /nfs/dbraw/zinc/17/21/03/815172103.db2.gz SHLCWZUODRHOHK-JTQLQIEISA-N 0 3 251.330 -0.370 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)COC[C@H]1CCCO1 ZINC001153673649 815170099 /nfs/dbraw/zinc/17/00/99/815170099.db2.gz OGDYOMIVMQVEIJ-GFCCVEGCSA-N 0 3 299.371 -0.810 20 30 CBEDHN CC#CCNCCNC(=O)COC[C@H]1CCCO1 ZINC001153683998 815172192 /nfs/dbraw/zinc/17/21/92/815172192.db2.gz DOAQQFZZQAHVSZ-GFCCVEGCSA-N 0 3 254.330 -0.089 20 30 CBEDHN COCC#CCNCCNC(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001153693901 815171597 /nfs/dbraw/zinc/17/15/97/815171597.db2.gz VAKBOLVZHYJQAC-GFCCVEGCSA-N 0 3 295.383 -0.353 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)c1[nH]cnc1C ZINC001153832643 815180189 /nfs/dbraw/zinc/18/01/89/815180189.db2.gz YJVZBZZDCQNQIJ-SNVBAGLBSA-N 0 3 279.344 -0.272 20 30 CBEDHN N#CCNC(=O)CNCCNC(=O)[C@H]1CC12CCOCC2 ZINC001153862651 815183219 /nfs/dbraw/zinc/18/32/19/815183219.db2.gz XMQRZIYGIWLLKA-LLVKDONJSA-N 0 3 294.355 -0.851 20 30 CBEDHN C#CCNCCNC(=O)CNC(=O)C(CC)CC ZINC001153948379 815190143 /nfs/dbraw/zinc/19/01/43/815190143.db2.gz AAHAJJICMFXEEP-UHFFFAOYSA-N 0 3 253.346 -0.122 20 30 CBEDHN COCC#CCNCCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001154024903 815194717 /nfs/dbraw/zinc/19/47/17/815194717.db2.gz OSHSATZEPXFBDX-GFCCVEGCSA-N 0 3 278.356 -0.121 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001154025192 815194734 /nfs/dbraw/zinc/19/47/34/815194734.db2.gz QSPFCOWYVQZIBB-LLVKDONJSA-N 0 3 293.371 -0.468 20 30 CBEDHN C#CCN(CC)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001154103280 815198569 /nfs/dbraw/zinc/19/85/69/815198569.db2.gz XTNZWBLONSIJMQ-LLVKDONJSA-N 0 3 279.344 -0.958 20 30 CBEDHN C#CCN(CC)[C@H](C)CNC(=O)CCN1C(=O)CCC1=O ZINC001154228998 815206210 /nfs/dbraw/zinc/20/62/10/815206210.db2.gz DBOZRMUNEUBPFS-GFCCVEGCSA-N 0 3 293.367 -0.015 20 30 CBEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001154602277 815229230 /nfs/dbraw/zinc/22/92/30/815229230.db2.gz YFCPPBNMWDPGPJ-CHWSQXEVSA-N 0 3 295.383 -0.401 20 30 CBEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154920349 815249390 /nfs/dbraw/zinc/24/93/90/815249390.db2.gz BPQPYKCCICJUQE-MNOVXSKESA-N 0 3 266.345 -0.482 20 30 CBEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001155210056 815270205 /nfs/dbraw/zinc/27/02/05/815270205.db2.gz HPMJYPYDPYVOGW-RISCZKNCSA-N 0 3 265.357 -0.028 20 30 CBEDHN C#CCN(CC)[C@H](C)CNC(=O)COCc1nncn1C ZINC001156111190 815339039 /nfs/dbraw/zinc/33/90/39/815339039.db2.gz ZMGGTASZBFNERL-GFCCVEGCSA-N 0 3 293.371 -0.209 20 30 CBEDHN CN(c1nccc(C#N)c1F)S(=O)(=O)CCN ZINC001156236426 815349869 /nfs/dbraw/zinc/34/98/69/815349869.db2.gz KJPKBXLCWNQPTK-UHFFFAOYSA-N 0 3 258.278 -0.183 20 30 CBEDHN C#CCN[C@@H]1CN(C(=O)COC)C[C@H]1c1cnn(C)c1 ZINC001086959745 810287965 /nfs/dbraw/zinc/28/79/65/810287965.db2.gz RMVZPBYJUVPQPO-QWHCGFSZSA-N 0 3 276.340 -0.416 20 30 CBEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C(N)=O)C2)CC1 ZINC001086939894 810288104 /nfs/dbraw/zinc/28/81/04/810288104.db2.gz CFYBBDWBHRLSPW-NSHDSACASA-N 0 3 263.341 -0.192 20 30 CBEDHN C#CCN1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087878628 810309824 /nfs/dbraw/zinc/30/98/24/810309824.db2.gz GYVQKWFKSJMNQL-NEPJUHHUSA-N 0 3 274.328 -0.913 20 30 CBEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001087990339 810315700 /nfs/dbraw/zinc/31/57/00/810315700.db2.gz ASUJJNQTIBYQLF-MJBXVCDLSA-N 0 3 289.379 -0.074 20 30 CBEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2C1 ZINC001087953354 810316039 /nfs/dbraw/zinc/31/60/39/810316039.db2.gz QQCKHVNWLMOWFN-NEPJUHHUSA-N 0 3 273.340 -0.158 20 30 CBEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C1 ZINC001088022968 810319196 /nfs/dbraw/zinc/31/91/96/810319196.db2.gz IMCAZWMFKXKFSX-MNOVXSKESA-N 0 3 259.313 -0.168 20 30 CBEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001088086224 810320240 /nfs/dbraw/zinc/32/02/40/810320240.db2.gz AGSZYHGIJQRYIE-GRYCIOLGSA-N 0 3 276.340 -0.919 20 30 CBEDHN C=CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001088792282 810356438 /nfs/dbraw/zinc/35/64/38/810356438.db2.gz FBFZWXUZWDTALE-NEPJUHHUSA-N 0 3 280.372 -0.817 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC(C)(C)C1 ZINC001089475091 810382079 /nfs/dbraw/zinc/38/20/79/810382079.db2.gz FARHLHFZGDBZNN-RYUDHWBXSA-N 0 3 292.383 -0.092 20 30 CBEDHN C#CCCN1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090028536 810403655 /nfs/dbraw/zinc/40/36/55/810403655.db2.gz BNVZIWXMMKJUEJ-YPMHNXCESA-N 0 3 274.324 -0.335 20 30 CBEDHN C#CCCN1CC[C@@H](NC(=O)c2cnc(C)cn2)[C@H](O)C1 ZINC001090042159 810405917 /nfs/dbraw/zinc/40/59/17/810405917.db2.gz NKYBGQQYDDVRLB-TZMCWYRMSA-N 0 3 288.351 -0.027 20 30 CBEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090058728 810408736 /nfs/dbraw/zinc/40/87/36/810408736.db2.gz ASDADPKTWNYPNE-CHWSQXEVSA-N 0 3 276.340 -0.392 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001090110486 810419159 /nfs/dbraw/zinc/41/91/59/810419159.db2.gz YKRFHNVODZZTEK-ONGXEEELSA-N 0 3 280.353 -0.274 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090128915 810423877 /nfs/dbraw/zinc/42/38/77/810423877.db2.gz JBKVGFLVBGWWAX-AAEUAGOBSA-N 0 3 276.340 -0.392 20 30 CBEDHN C#CCCN1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC001090132977 810426243 /nfs/dbraw/zinc/42/62/43/810426243.db2.gz IKZFVXZQLYVYCO-ZIAGYGMSSA-N 0 3 290.367 -0.083 20 30 CBEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)c1 ZINC001090179902 810436432 /nfs/dbraw/zinc/43/64/32/810436432.db2.gz MLLQTYOLXQQSPF-WCQYABFASA-N 0 3 292.339 -0.566 20 30 CBEDHN C=CCN1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001090184155 810437125 /nfs/dbraw/zinc/43/71/25/810437125.db2.gz DATZFUFXTKJJKQ-CHWSQXEVSA-N 0 3 278.356 -0.002 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001090182680 810437295 /nfs/dbraw/zinc/43/72/95/810437295.db2.gz NPZMKNTWNCVJQJ-UONOGXRCSA-N 0 3 290.367 -0.165 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001090182680 810437300 /nfs/dbraw/zinc/43/73/00/810437300.db2.gz NPZMKNTWNCVJQJ-UONOGXRCSA-N 0 3 290.367 -0.165 20 30 CBEDHN C=C(C)CN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090204011 810442328 /nfs/dbraw/zinc/44/23/28/810442328.db2.gz LZCZTAXPWXXTAJ-KGLIPLIRSA-N 0 3 297.399 -0.554 20 30 CBEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)[nH]1 ZINC001090203520 810442680 /nfs/dbraw/zinc/44/26/80/810442680.db2.gz HLAUKVZVDPLUJX-YPMHNXCESA-N 0 3 292.339 -0.566 20 30 CBEDHN C=C(C)CN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001090218838 810447036 /nfs/dbraw/zinc/44/70/36/810447036.db2.gz KLMSLDYDYVYBJF-UONOGXRCSA-N 0 3 295.383 -0.408 20 30 CBEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001090216407 810447540 /nfs/dbraw/zinc/44/75/40/810447540.db2.gz MXAUWGIBBGPKIT-RYUDHWBXSA-N 0 3 293.371 -0.257 20 30 CBEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090237536 810454931 /nfs/dbraw/zinc/45/49/31/810454931.db2.gz OXANSWGFVNYHQC-ZYHUDNBSSA-N 0 3 279.344 -0.444 20 30 CBEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001090255617 810461266 /nfs/dbraw/zinc/46/12/66/810461266.db2.gz GLDIYKAVYADFMX-NWDGAFQWSA-N 0 3 293.371 -0.217 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001090260803 810463996 /nfs/dbraw/zinc/46/39/96/810463996.db2.gz JVSWKJZZTMMCPM-STQMWFEESA-N 0 3 290.367 -0.083 20 30 CBEDHN C#CCCN1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC001090336893 810474527 /nfs/dbraw/zinc/47/45/27/810474527.db2.gz AFAHZWWCPNYKEG-CHWSQXEVSA-N 0 3 290.367 -0.083 20 30 CBEDHN C=CCN1CC[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 ZINC001090436080 810498857 /nfs/dbraw/zinc/49/88/57/810498857.db2.gz NBFHRPSOKFFWCZ-OLZOCXBDSA-N 0 3 278.356 -0.071 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 ZINC001090458774 810504050 /nfs/dbraw/zinc/50/40/50/810504050.db2.gz IPXJPJFKTJXJFH-JQWIXIFHSA-N 0 3 293.323 -0.129 20 30 CBEDHN C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[n-]nnc2C)[C@H](O)C1 ZINC001090483131 810506976 /nfs/dbraw/zinc/50/69/76/810506976.db2.gz QAQWHCPTVPQNOA-GHMZBOCLSA-N 0 3 279.344 -0.146 20 30 CBEDHN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2[n-]nnc2C)[C@H](O)C1 ZINC001090483131 810506983 /nfs/dbraw/zinc/50/69/83/810506983.db2.gz QAQWHCPTVPQNOA-GHMZBOCLSA-N 0 3 279.344 -0.146 20 30 CBEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001090489729 810508500 /nfs/dbraw/zinc/50/85/00/810508500.db2.gz OSKIMCSKNGWUJB-ZYHUDNBSSA-N 0 3 294.355 -0.133 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001090487844 810509263 /nfs/dbraw/zinc/50/92/63/810509263.db2.gz AJCXPIWQSWRBAS-CMPLNLGQSA-N 0 3 292.339 -0.686 20 30 CBEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC001090500626 810510031 /nfs/dbraw/zinc/51/00/31/810510031.db2.gz QGLCROQRKGMJKI-QWHCGFSZSA-N 0 3 290.367 -0.083 20 30 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C=CCNC(=O)CNCCNC(=O)c1c[nH]nc1C1CC1 ZINC001146430831 814838580 /nfs/dbraw/zinc/83/85/80/814838580.db2.gz ZXZOEYZGNIMPDH-UHFFFAOYSA-N 0 3 291.355 -0.091 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)c1cnc(OC)nc1 ZINC001146542745 814840896 /nfs/dbraw/zinc/84/08/96/814840896.db2.gz XAMCAJDTYUISKV-UHFFFAOYSA-N 0 3 293.327 -0.893 20 30 CBEDHN N#CCNC(=O)CNCCNC(=O)[C@H]1CC12CCCC2 ZINC001146747112 814846527 /nfs/dbraw/zinc/84/65/27/814846527.db2.gz QVHDPNGILZMGFJ-LLVKDONJSA-N 0 3 278.356 -0.088 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)c1nocc1C ZINC001146834353 814848532 /nfs/dbraw/zinc/84/85/32/814848532.db2.gz URZKJZQBOIKNGG-UHFFFAOYSA-N 0 3 264.285 -0.948 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nocc1C ZINC001146849263 814851369 /nfs/dbraw/zinc/85/13/69/814851369.db2.gz NFOBGIMLVHCGOD-SNVBAGLBSA-N 0 3 280.328 -0.007 20 30 CBEDHN CC(C)c1ocnc1C(=O)NCCNCC(=O)NCC#N ZINC001146863597 814852992 /nfs/dbraw/zinc/85/29/92/814852992.db2.gz BAWVNNXLBHIFIV-UHFFFAOYSA-N 0 3 293.327 -0.243 20 30 CBEDHN 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278.356 -0.041 20 30 CBEDHN CN(C)c1ncc(CNC[C@@H](O)CN(C)CCC#N)n1C ZINC000515638084 373794577 /nfs/dbraw/zinc/79/45/77/373794577.db2.gz PZBFASFZMIAODU-CYBMUJFWSA-N 0 3 294.403 -0.218 20 30 CBEDHN N#CCNC(=O)CNC[C@H](O)Cc1ccc(F)cc1 ZINC000516051898 373799808 /nfs/dbraw/zinc/79/98/08/373799808.db2.gz GMOUZNYDMHQFRH-GFCCVEGCSA-N 0 3 265.288 -0.042 20 30 CBEDHN C=CCNC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261656631 220244120 /nfs/dbraw/zinc/24/41/20/220244120.db2.gz ANEAGJQWQMBDKV-LLVKDONJSA-N 0 3 263.345 -0.331 20 30 CBEDHN N#Cc1ccc([C@@H](NC[C@@H]2CN3CCN2CC3)C(N)=O)cc1 ZINC000533010151 374180671 /nfs/dbraw/zinc/18/06/71/374180671.db2.gz RYQJWKGEJDTGMS-HUUCEWRRSA-N 0 3 299.378 -0.326 20 30 CBEDHN CN1CC[C@]2(CCN(C(=O)NCC(=O)NCC#N)C2)C1 ZINC000562337102 374311513 /nfs/dbraw/zinc/31/15/13/374311513.db2.gz NTKBNFUPXOWOLZ-ZDUSSCGKSA-N 0 3 279.344 -0.637 20 30 CBEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC000563704784 374323193 /nfs/dbraw/zinc/32/31/93/374323193.db2.gz BFVPQEOGIDWESE-NEPJUHHUSA-N 0 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295.383 -0.447 20 30 CBEDHN CC#CCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000294437689 220317572 /nfs/dbraw/zinc/31/75/72/220317572.db2.gz GKKKQZZEQQBAQV-GFCCVEGCSA-N 0 3 265.357 -0.122 20 30 CBEDHN C#CCN(C)CCCNC(=O)NCCOCC(=O)OCC ZINC000296873092 220320288 /nfs/dbraw/zinc/32/02/88/220320288.db2.gz LFBQZLGPGWTKKU-UHFFFAOYSA-N 0 3 299.371 -0.180 20 30 CBEDHN CC(C#N)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000310146975 220325185 /nfs/dbraw/zinc/32/51/85/220325185.db2.gz OEBWBYFNZNGLBG-IUCAKERBSA-N 0 3 259.331 -0.362 20 30 CBEDHN C#CCN(C)CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC000294120721 220314448 /nfs/dbraw/zinc/31/44/48/220314448.db2.gz ZSMUWOSSFVNPFG-UHFFFAOYSA-N 0 3 262.313 -0.202 20 30 CBEDHN C#CCN(C)CCCNS(=O)(=O)CCC(=O)OCC ZINC000293701296 220315136 /nfs/dbraw/zinc/31/51/36/220315136.db2.gz CTJLYCYEHGRECA-UHFFFAOYSA-N 0 3 290.385 -0.186 20 30 CBEDHN C#CCN(C)CCCNC(=O)CN1CSCC1=O ZINC000293995790 220315422 /nfs/dbraw/zinc/31/54/22/220315422.db2.gz OHJFQZLJTVIPAA-UHFFFAOYSA-N 0 3 269.370 -0.409 20 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265.317 -0.682 20 30 CBEDHN C[C@@H](CC#N)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000345023677 353307850 /nfs/dbraw/zinc/30/78/50/353307850.db2.gz VHKFUBZKCDGBFX-WDEREUQCSA-N 0 3 266.345 -0.185 20 30 CBEDHN CN(C)[C@]1(CNC(=O)NCC(=O)NCC#N)CCSC1 ZINC000345082598 353309261 /nfs/dbraw/zinc/30/92/61/353309261.db2.gz SQWDDDNCRQDOKF-LBPRGKRZSA-N 0 3 299.400 -0.637 20 30 CBEDHN CCN1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 ZINC000345079019 353309440 /nfs/dbraw/zinc/30/94/40/353309440.db2.gz ZMKXGBGYCGKNOH-UHFFFAOYSA-N 0 3 291.359 -0.067 20 30 CBEDHN CN1CCC[C@H]1CNC(=O)NCC(=O)NCC#N ZINC000345119486 353311513 /nfs/dbraw/zinc/31/15/13/353311513.db2.gz RNJDHVWFQAPQCJ-VIFPVBQESA-N 0 3 253.306 -0.980 20 30 CBEDHN CN(C)CCN1C[C@@H](C(=O)N2CCO[C@@H](C#N)C2)CC1=O ZINC000345262814 353319574 /nfs/dbraw/zinc/31/95/74/353319574.db2.gz ORRCDAGKAZIVCM-RYUDHWBXSA-N 0 3 294.355 -0.853 20 30 CBEDHN C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CCN1C ZINC000345382987 353326667 /nfs/dbraw/zinc/32/66/67/353326667.db2.gz PMUVFTZVQYHKOO-MNOVXSKESA-N 0 3 291.359 -0.068 20 30 CBEDHN CC(C#N)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000346152753 353363410 /nfs/dbraw/zinc/36/34/10/353363410.db2.gz PTZSVWOCVOYVHR-JTQLQIEISA-N 0 3 252.318 -0.574 20 30 CBEDHN COC(=O)CCN1CC[C@H](NC(=O)C(C)C#N)C1=O ZINC000347475670 353397875 /nfs/dbraw/zinc/39/78/75/353397875.db2.gz GXUXCKWJEMZFNN-IUCAKERBSA-N 0 3 267.285 -0.574 20 30 CBEDHN CC(C#N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000347047322 353395381 /nfs/dbraw/zinc/39/53/81/353395381.db2.gz KKBRSQMCERACTF-LBPRGKRZSA-N 0 3 294.355 -0.851 20 30 CBEDHN CC(C#N)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000346419946 353376244 /nfs/dbraw/zinc/37/62/44/353376244.db2.gz BBYCCVVRVIJOQL-VHSXEESVSA-N 0 3 288.373 -0.467 20 30 CBEDHN OC[C@H]1CCCN1CC#CCN1CCC[C@H]1CO ZINC000351266423 353475189 /nfs/dbraw/zinc/47/51/89/353475189.db2.gz DJVINPBQWZOVRB-OKILXGFUSA-N 0 3 252.358 -0.097 20 30 CBEDHN CN(C)CCN1C[C@H](C(=O)N(CC#N)CC#N)CC1=O ZINC000355407332 353591137 /nfs/dbraw/zinc/59/11/37/353591137.db2.gz BZIAVSAMADAZKM-LLVKDONJSA-N 0 3 277.328 -0.728 20 30 CBEDHN CN1CC[C@@](O)(CNC(=O)c2ccc(C#N)nc2)C1 ZINC000358073838 353625403 /nfs/dbraw/zinc/62/54/03/353625403.db2.gz CNVIHSCKAAMFBL-CYBMUJFWSA-N 0 3 260.297 -0.250 20 30 CBEDHN N#CCNC(=O)CNC1(CO)Cc2ccccc2C1 ZINC000358428870 353643528 /nfs/dbraw/zinc/64/35/28/353643528.db2.gz DTLGTWHXBMGTTD-UHFFFAOYSA-N 0 3 259.309 -0.254 20 30 CBEDHN C=C[C@H](CO)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000358945354 353651534 /nfs/dbraw/zinc/65/15/34/353651534.db2.gz OOZLVUINZAZLOR-CHWSQXEVSA-N 0 3 284.404 -0.284 20 30 CBEDHN C=C[C@H](CO)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000358945365 353651829 /nfs/dbraw/zinc/65/18/29/353651829.db2.gz OOZLVUINZAZLOR-QWHCGFSZSA-N 0 3 284.404 -0.284 20 30 CBEDHN CC(C#N)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000357809315 353607704 /nfs/dbraw/zinc/60/77/04/353607704.db2.gz WCORLPRBEYNILQ-MNOVXSKESA-N 0 3 278.356 -0.043 20 30 CBEDHN CN(CCN1CCCC1)C(=O)NCCn1cnc(C#N)n1 ZINC000357872334 353610942 /nfs/dbraw/zinc/61/09/42/353610942.db2.gz YKMJLHMRIJPBHF-UHFFFAOYSA-N 0 3 291.359 -0.113 20 30 CBEDHN CN(C)CCOCCNC(=O)C(=O)N1CCC(C#N)CC1 ZINC000360270489 353656952 /nfs/dbraw/zinc/65/69/52/353656952.db2.gz FGTILRBJDFJBND-UHFFFAOYSA-N 0 3 296.371 -0.557 20 30 CBEDHN CC(C)N(C)CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000360982744 353660171 /nfs/dbraw/zinc/66/01/71/353660171.db2.gz CGUMMXNHDUGWBZ-UHFFFAOYSA-N 0 3 266.345 -0.089 20 30 CBEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@](C)(C(N)=O)C1 ZINC000361573105 353663152 /nfs/dbraw/zinc/66/31/52/353663152.db2.gz XNAYCHYXOJMADY-GWCFXTLKSA-N 0 3 266.345 -0.056 20 30 CBEDHN CCN(CCC#N)C(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000361566480 353663599 /nfs/dbraw/zinc/66/35/99/353663599.db2.gz QRQDZWAZWQOVAL-CYBMUJFWSA-N 0 3 266.345 -0.054 20 30 CBEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCOC[C@H]1OCC ZINC000362016707 353665187 /nfs/dbraw/zinc/66/51/87/353665187.db2.gz AYBYVTXAYYSVFR-WDEREUQCSA-N 0 3 285.344 -0.218 20 30 CBEDHN C[C@H](C#N)CN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000371231236 353698113 /nfs/dbraw/zinc/69/81/13/353698113.db2.gz UVBZVDQSPFBPRA-VXGBXAGGSA-N 0 3 250.346 -0.006 20 30 CBEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375336462 353758701 /nfs/dbraw/zinc/75/87/01/353758701.db2.gz IKSITEXMHQATKG-GXFFZTMASA-N 0 3 294.355 -0.355 20 30 CBEDHN C=CCNC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000375499178 353761960 /nfs/dbraw/zinc/76/19/60/353761960.db2.gz HOIUWEMPNUVEHY-LBPRGKRZSA-N 0 3 255.362 -0.323 20 30 CBEDHN C=C(C)CN(C)C(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000410531232 353931276 /nfs/dbraw/zinc/93/12/76/353931276.db2.gz UAXNAGPVJZUPPJ-GFCCVEGCSA-N 0 3 283.372 -0.190 20 30 CBEDHN CC#CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420059061 354106183 /nfs/dbraw/zinc/10/61/83/354106183.db2.gz KFLDPOPNAMEJNX-QWRGUYRKSA-N 0 3 281.356 -0.255 20 30 CBEDHN C=CCN(CCOC)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420070661 354107183 /nfs/dbraw/zinc/10/71/83/354107183.db2.gz WWHTUFZIAJPPEY-LLVKDONJSA-N 0 3 269.345 -0.499 20 30 CBEDHN C=C[C@H]1CCCCN1C(=O)C(=O)NCCNCCOC ZINC000420176770 354116036 /nfs/dbraw/zinc/11/60/36/354116036.db2.gz AMWYMSGEPITYHA-LBPRGKRZSA-N 0 3 283.372 -0.094 20 30 CBEDHN C=CC1CCN(C(=O)C(=O)NCCNCCOC)CC1 ZINC000420181437 354116825 /nfs/dbraw/zinc/11/68/25/354116825.db2.gz IFCTVCHKUGZBHW-UHFFFAOYSA-N 0 3 283.372 -0.237 20 30 CBEDHN CCNC(=O)CN(CC)C(=O)[C@H](N)CCCC#N ZINC000424088501 354208900 /nfs/dbraw/zinc/20/89/00/354208900.db2.gz JKLLWMYDVAZIOS-SNVBAGLBSA-N 0 3 254.334 -0.008 20 30 CBEDHN COCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CCCC#N ZINC000424094660 354209101 /nfs/dbraw/zinc/20/91/01/354209101.db2.gz MFXHHJGQWWCNFO-NSHDSACASA-N 0 3 284.360 -0.429 20 30 CBEDHN CCNC(=O)CN1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424136155 354211132 /nfs/dbraw/zinc/21/11/32/354211132.db2.gz QKCAHHUTAJEOTM-LBPRGKRZSA-N 0 3 295.387 -0.712 20 30 CBEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)N1CCOCC1 ZINC000424138822 354211444 /nfs/dbraw/zinc/21/14/44/354211444.db2.gz UYEBKASLEFDTPN-NEPJUHHUSA-N 0 3 268.361 -0.156 20 30 CBEDHN COCCN1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424145718 354211811 /nfs/dbraw/zinc/21/18/11/354211811.db2.gz ZESLEEONFFDRFA-GFCCVEGCSA-N 0 3 268.361 -0.202 20 30 CBEDHN C[C@@H]1COCCN1CCNC(=O)[C@H](N)CCCC#N ZINC000424143821 354212196 /nfs/dbraw/zinc/21/21/96/354212196.db2.gz GIFPVQRWUUYEER-VXGBXAGGSA-N 0 3 268.361 -0.156 20 30 CBEDHN COC[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000433973434 354253091 /nfs/dbraw/zinc/25/30/91/354253091.db2.gz GJTMMSFTWDRAKW-FZMZJTMJSA-N 0 3 296.371 -0.559 20 30 CBEDHN CN(C)CCN1C[C@H](C(=O)N2CC(C)(C#N)C2)CC1=O ZINC000435919750 354254917 /nfs/dbraw/zinc/25/49/17/354254917.db2.gz AZCPYPWUWKQCIT-LLVKDONJSA-N 0 3 278.356 -0.231 20 30 CBEDHN CC[C@H](NC(=O)C(C)C#N)C(=O)N1CCOCC1 ZINC000439050034 354256494 /nfs/dbraw/zinc/25/64/94/354256494.db2.gz KSNMFYCHWBGSJL-ZJUUUORDSA-N 0 3 253.302 -0.100 20 30 CBEDHN CC[C@@H](NC(=O)C(C)C#N)C(=O)N1CCOCC1 ZINC000439050031 354256697 /nfs/dbraw/zinc/25/66/97/354256697.db2.gz KSNMFYCHWBGSJL-NXEZZACHSA-N 0 3 253.302 -0.100 20 30 CBEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(=O)n(C)c1=O ZINC000424207052 354219512 /nfs/dbraw/zinc/21/95/12/354219512.db2.gz XDQWUYDHMHCTGQ-GXSJLCMTSA-N 0 3 262.313 -0.134 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000424537949 354227037 /nfs/dbraw/zinc/22/70/37/354227037.db2.gz CWGOBZNAQMIHLH-SRVKXCTJSA-N 0 3 281.356 -0.453 20 30 CBEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425543151 354239268 /nfs/dbraw/zinc/23/92/68/354239268.db2.gz HUSKVOPWHHVLGZ-NXEZZACHSA-N 0 3 292.343 -0.006 20 30 CBEDHN C=CCn1cc(CNC(=O)NCCN(C)C)nn1 ZINC000425878996 354239961 /nfs/dbraw/zinc/23/99/61/354239961.db2.gz QEXCQRUKMWIRKM-UHFFFAOYSA-N 0 3 252.322 -0.175 20 30 CBEDHN CCN(CCC#N)C(=O)CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447924750 354309385 /nfs/dbraw/zinc/30/93/85/354309385.db2.gz XDEJXRLGRWAZIS-RYUDHWBXSA-N 0 3 269.345 -0.122 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCCN(CC)CCO ZINC000459013543 354380864 /nfs/dbraw/zinc/38/08/64/354380864.db2.gz DVBFCLRHUXDFKV-NEPJUHHUSA-N 0 3 271.361 -0.057 20 30 CBEDHN C#CCN1CCC(C(=O)N[C@@]2(CO)CCOC2)CC1 ZINC000490949800 354448491 /nfs/dbraw/zinc/44/84/91/354448491.db2.gz MJHYLXQZXCUXMV-CQSZACIVSA-N 0 3 266.341 -0.401 20 30 CBEDHN C#CCN(C)CCCNC(=O)[C@H](CO)NC(=O)C(C)C ZINC000491308439 354454480 /nfs/dbraw/zinc/45/44/80/354454480.db2.gz USGGTKKVFKJNPH-LBPRGKRZSA-N 0 3 283.372 -0.809 20 30 CBEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000491339887 354455070 /nfs/dbraw/zinc/45/50/70/354455070.db2.gz TWOAJFUAIQDTED-STQMWFEESA-N 0 3 283.372 -0.267 20 30 CBEDHN CN(CCC#N)C[C@H](O)CN[C@H]1C[C@H]2CCCCN2C1=O ZINC000521427452 354570221 /nfs/dbraw/zinc/57/02/21/354570221.db2.gz DAOYXGWSEOJKQT-MCIONIFRSA-N 0 3 294.399 -0.064 20 30 CBEDHN C[C@H](C(=O)NCCNc1ccncc1)n1cnc(C#N)n1 ZINC000535258042 354600808 /nfs/dbraw/zinc/60/08/08/354600808.db2.gz SGUKLGPWPALIAV-SNVBAGLBSA-N 0 3 285.311 -0.244 20 30 CBEDHN COC[C@H](NC[C@H](O)CN(C)CCC#N)[C@H]1CCCO1 ZINC000566556496 354771080 /nfs/dbraw/zinc/77/10/80/354771080.db2.gz NNHYINMVOMJXQA-MELADBBJSA-N 0 3 285.388 -0.024 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000567020007 354779745 /nfs/dbraw/zinc/77/97/45/354779745.db2.gz VJWJQEIYTDTVNW-XQQFMLRXSA-N 0 3 295.383 -0.144 20 30 CBEDHN C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000568372485 354822484 /nfs/dbraw/zinc/82/24/84/354822484.db2.gz DGFQPECTLXMJSX-RYUDHWBXSA-N 0 3 282.388 -0.441 20 30 CBEDHN Cc1ccc(CNC[C@H](O)CN(C)CCC#N)c(=O)n1C ZINC000568382548 354822780 /nfs/dbraw/zinc/82/27/80/354822780.db2.gz AYHPFKJZFZQAKB-AWEZNQCLSA-N 0 3 292.383 -0.010 20 30 CBEDHN N#CCNC(=O)CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000567706862 354794746 /nfs/dbraw/zinc/79/47/46/354794746.db2.gz AYBSWQUNQUIXCM-LBPRGKRZSA-N 0 3 288.307 -0.473 20 30 CBEDHN CN(C)[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000569891179 354849678 /nfs/dbraw/zinc/84/96/78/354849678.db2.gz VIFUYYVSVWYMRV-STQMWFEESA-N 0 3 294.399 -0.064 20 30 CBEDHN C=CCn1cc(CNC(=O)NC[C@]2(O)CCN(C)C2)nn1 ZINC000570275039 354857758 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ZINC001124986817 813508787 /nfs/dbraw/zinc/50/87/87/813508787.db2.gz YRORKKKBRLDIPS-LLVKDONJSA-N 0 3 291.355 -0.814 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cc(C)on1 ZINC001125005603 813509057 /nfs/dbraw/zinc/50/90/57/813509057.db2.gz IRLNOHOJDPKAMM-LLVKDONJSA-N 0 3 294.355 -0.078 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)CCC1CC1 ZINC001125019361 813510789 /nfs/dbraw/zinc/51/07/89/813510789.db2.gz GNPOJXHHVCHHTA-UHFFFAOYSA-N 0 3 251.330 -0.368 20 30 CBEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)c1nccnc1N ZINC001125034370 813512352 /nfs/dbraw/zinc/51/23/52/813512352.db2.gz QJVQNVUCVZPAPG-VIFPVBQESA-N 0 3 292.343 -0.931 20 30 CBEDHN N#Cc1ccc(CNCCNC(=O)CC(N)=O)cc1 ZINC001125079733 813515190 /nfs/dbraw/zinc/51/51/90/813515190.db2.gz HRRKJWLHYQNGKA-UHFFFAOYSA-N 0 3 260.297 -0.361 20 30 CBEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125094809 813519258 /nfs/dbraw/zinc/51/92/58/813519258.db2.gz FDFLMRRTHXMMDE-LLVKDONJSA-N 0 3 298.387 -0.619 20 30 CBEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cc[nH]n1 ZINC001125164043 813526858 /nfs/dbraw/zinc/52/68/58/813526858.db2.gz ADYOAHROVMWCLW-JTQLQIEISA-N 0 3 279.344 -0.651 20 30 CBEDHN C=CCOCCCC(=O)NCCNCC(=O)N1CCC1 ZINC001125247568 813538449 /nfs/dbraw/zinc/53/84/49/813538449.db2.gz CYYDFJSAVVVEEJ-UHFFFAOYSA-N 0 3 283.372 -0.093 20 30 CBEDHN C=CCOCCCC(=O)NCCNCC(=O)N(C)C ZINC001125247582 813539050 /nfs/dbraw/zinc/53/90/50/813539050.db2.gz DMGRHTNWAZJUKY-UHFFFAOYSA-N 0 3 271.361 -0.237 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)CCCOCC=C ZINC001125248028 813539895 /nfs/dbraw/zinc/53/98/95/813539895.db2.gz MUIRRSZGWNNXGA-UHFFFAOYSA-N 0 3 283.372 -0.023 20 30 CBEDHN CN(C)C(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 ZINC001125360784 813545904 /nfs/dbraw/zinc/54/59/04/813545904.db2.gz KZUMGTXWVLLCKH-UHFFFAOYSA-N 0 3 263.301 -0.706 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001125360456 813546382 /nfs/dbraw/zinc/54/63/82/813546382.db2.gz FAIBRRKPDLESPN-WUHRBBMRSA-N 0 3 277.368 -0.124 20 30 CBEDHN CN1CCC[C@@H](NCCNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001125390800 813548381 /nfs/dbraw/zinc/54/83/81/813548381.db2.gz CQDHKWBYOQOVKI-LLVKDONJSA-N 0 3 289.339 -0.173 20 30 CBEDHN Cc1cccnc1C(=O)NCCNCC(=O)NCC#N ZINC001125424213 813550851 /nfs/dbraw/zinc/55/08/51/813550851.db2.gz BRCKBWIVRSRBHK-UHFFFAOYSA-N 0 3 275.312 -0.651 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)C1CC(F)(F)C1 ZINC001125488968 813555766 /nfs/dbraw/zinc/55/57/66/813555766.db2.gz GIEOCYHWVDUMJD-UHFFFAOYSA-N 0 3 273.283 -0.513 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCOC1 ZINC001125484575 813556062 /nfs/dbraw/zinc/55/60/62/813556062.db2.gz XCNGFHDYTWEPHS-QWHCGFSZSA-N 0 3 295.383 -0.353 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)C1CC(C)C1 ZINC001125509471 813556278 /nfs/dbraw/zinc/55/62/78/813556278.db2.gz VKBPYBCTEKFXLO-UHFFFAOYSA-N 0 3 251.330 -0.512 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCCCO1 ZINC001125542786 813558298 /nfs/dbraw/zinc/55/82/98/813558298.db2.gz WQPHNZKLMINABD-CHWSQXEVSA-N 0 3 295.383 -0.211 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc[nH]c(=O)c1 ZINC001125619651 813564660 /nfs/dbraw/zinc/56/46/60/813564660.db2.gz FDSWBQMBKNOLHV-JTQLQIEISA-N 0 3 290.323 -0.756 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C1=CCCC1 ZINC001125645804 813568643 /nfs/dbraw/zinc/56/86/43/813568643.db2.gz LQVWHUOKJCHYKO-NSHDSACASA-N 0 3 263.341 -0.060 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125695178 813573444 /nfs/dbraw/zinc/57/34/44/813573444.db2.gz JMXXNXQMBBFYTL-MNOVXSKESA-N 0 3 297.355 -0.664 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cccnc1 ZINC001125712803 813573853 /nfs/dbraw/zinc/57/38/53/813573853.db2.gz YRGNEOKCGWCZRC-LBPRGKRZSA-N 0 3 288.351 -0.532 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)n1cccc1 ZINC001125757066 813579038 /nfs/dbraw/zinc/57/90/38/813579038.db2.gz NYKQXWKGZGOKHM-OLZOCXBDSA-N 0 3 290.367 -0.107 20 30 CBEDHN COCC#CCNCCNC(=O)c1cc(C)ncn1 ZINC001125762310 813580249 /nfs/dbraw/zinc/58/02/49/813580249.db2.gz RGFCZXCOERCCGE-UHFFFAOYSA-N 0 3 262.313 -0.246 20 30 CBEDHN CC(C)NC(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 ZINC001125775740 813582004 /nfs/dbraw/zinc/58/20/04/813582004.db2.gz AMCBGWIUOGYQDE-UHFFFAOYSA-N 0 3 277.328 -0.270 20 30 CBEDHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 ZINC001125782432 813582114 /nfs/dbraw/zinc/58/21/14/813582114.db2.gz FTJHXALFGPIRLN-QMMMGPOBSA-N 0 3 263.301 -0.660 20 30 CBEDHN N#Cc1ccc(C(=O)NCCNCC(=O)N2CCC2)[nH]1 ZINC001125776543 813582195 /nfs/dbraw/zinc/58/21/95/813582195.db2.gz RFVHZDKRYZRJOL-UHFFFAOYSA-N 0 3 275.312 -0.562 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125885567 813586981 /nfs/dbraw/zinc/58/69/81/813586981.db2.gz VRNFECQOTGAYHK-IAQYHMDHSA-N 0 3 295.383 -0.619 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125883818 813587766 /nfs/dbraw/zinc/58/77/66/813587766.db2.gz FYGIVBHHVANSIF-IAQYHMDHSA-N 0 3 297.399 -0.066 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@](C)(O)C1CC1 ZINC001125885570 813588083 /nfs/dbraw/zinc/58/80/83/813588083.db2.gz VRNFECQOTGAYHK-NHYWBVRUSA-N 0 3 295.383 -0.619 20 30 CBEDHN COCC#CCNCCNC(=O)[C@H](C)n1cncn1 ZINC001125929407 813592550 /nfs/dbraw/zinc/59/25/50/813592550.db2.gz AWDWIBZDHOWXDK-NSHDSACASA-N 0 3 265.317 -0.805 20 30 CBEDHN N#Cc1cc(C(=O)NCCNCC(=O)NC2CC2)c[nH]1 ZINC001125988174 813599348 /nfs/dbraw/zinc/59/93/48/813599348.db2.gz OHWQNNKCHNYHII-UHFFFAOYSA-N 0 3 275.312 -0.516 20 30 CBEDHN CCCNC(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 ZINC001125988369 813599385 /nfs/dbraw/zinc/59/93/85/813599385.db2.gz UGRVDLOIPPHOKQ-UHFFFAOYSA-N 0 3 277.328 -0.268 20 30 CBEDHN C#CCNC(=O)CC(=O)NCCNC/C=C\Cl ZINC001125999102 813600023 /nfs/dbraw/zinc/60/00/23/813600023.db2.gz XMUQTLBAFGEBIQ-ARJAWSKDSA-N 0 3 257.721 -0.416 20 30 CBEDHN C#CCNC(=O)CC(=O)NCCNC/C=C/Cl ZINC001125999104 813600714 /nfs/dbraw/zinc/60/07/14/813600714.db2.gz XMUQTLBAFGEBIQ-ONEGZZNKSA-N 0 3 257.721 -0.416 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1N ZINC001126093978 813613265 /nfs/dbraw/zinc/61/32/65/813613265.db2.gz YRRRPIGYVRYKLC-SECBINFHSA-N 0 3 294.359 -0.988 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)C1=CCOCC1 ZINC001126110768 813615412 /nfs/dbraw/zinc/61/54/12/813615412.db2.gz QFMKLUNRSFXUBC-UHFFFAOYSA-N 0 3 267.329 -0.659 20 30 CBEDHN CCn1nccc1C(=O)NCCNCC#CCOC ZINC001126185221 813624235 /nfs/dbraw/zinc/62/42/35/813624235.db2.gz ZCPZHBYBRSMDSM-UHFFFAOYSA-N 0 3 264.329 -0.128 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)c1coc(C)c1 ZINC001126215271 813627228 /nfs/dbraw/zinc/62/72/28/813627228.db2.gz ZJKBTOGMJGGTIG-UHFFFAOYSA-N 0 3 263.297 -0.343 20 30 CBEDHN C=C[C@](C)(O)CC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001126383129 813641960 /nfs/dbraw/zinc/64/19/60/813641960.db2.gz FIWFPIWMLXNKNT-NHYWBVRUSA-N 0 3 297.399 -0.066 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@](C)(O)C=C ZINC001126385445 813643004 /nfs/dbraw/zinc/64/30/04/813643004.db2.gz WHTNNIWRZZVMSD-BXUZGUMPSA-N 0 3 281.356 -0.843 20 30 CBEDHN C=C[C@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001126385007 813643096 /nfs/dbraw/zinc/64/30/96/813643096.db2.gz SDZZRGGSZSHENM-HZMBPMFUSA-N 0 3 283.372 -0.314 20 30 CBEDHN 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824155630 /nfs/dbraw/zinc/15/56/30/824155630.db2.gz DVQOLBMXGGLLEV-VXGBXAGGSA-N 0 3 279.344 -0.525 20 30 CBEDHN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196289753 824155635 /nfs/dbraw/zinc/15/56/35/824155635.db2.gz DVQOLBMXGGLLEV-VXGBXAGGSA-N 0 3 279.344 -0.525 20 30 CBEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H]2CCOC2)C1 ZINC001196551031 824165567 /nfs/dbraw/zinc/16/55/67/824165567.db2.gz ZLXVHRPNDZGYGL-MGPQQGTHSA-N 0 3 298.383 -0.223 20 30 CBEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001196846295 824170685 /nfs/dbraw/zinc/17/06/85/824170685.db2.gz YXOOVLHIMPVNJH-YNEHKIRRSA-N 0 3 295.383 -0.217 20 30 CBEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001196904755 824171908 /nfs/dbraw/zinc/17/19/08/824171908.db2.gz LUWBWHVLHGOMSN-VXGBXAGGSA-N 0 3 279.344 -0.444 20 30 CBEDHN C#CCCN1C[C@@H](O)[C@H](NC(=O)CN(CC)CC)C1 ZINC001197057544 824176993 /nfs/dbraw/zinc/17/69/93/824176993.db2.gz DDFFHQBBBOGVTK-CHWSQXEVSA-N 0 3 267.373 -0.487 20 30 CBEDHN CC#CCN1CCC([C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001284704948 828619874 /nfs/dbraw/zinc/61/98/74/828619874.db2.gz AWWIGGLTFLWMSW-LBPRGKRZSA-N 0 3 290.371 -0.087 20 30 CBEDHN C[C@H](C#N)C(=O)N(C)CCOCCN[C@@H](C)C(=O)N(C)C ZINC001284853736 828624219 /nfs/dbraw/zinc/62/42/19/828624219.db2.gz AKVUUDWJHBJDSQ-NEPJUHHUSA-N 0 3 298.387 -0.313 20 30 CBEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCC1 ZINC001199127493 824249117 /nfs/dbraw/zinc/24/91/17/824249117.db2.gz FJYPUMQMNUVWBZ-MCIONIFRSA-N 0 3 294.399 -0.208 20 30 CBEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199523419 824272199 /nfs/dbraw/zinc/27/21/99/824272199.db2.gz CIAVFVZQEBNJHO-CHWSQXEVSA-N 0 3 293.371 -0.515 20 30 CBEDHN COCC#CCNC[C@H]1CN(C(=O)COC)CCCO1 ZINC001199591671 824276268 /nfs/dbraw/zinc/27/62/68/824276268.db2.gz RSXYPRQJKMFJPN-ZDUSSCGKSA-N 0 3 284.356 -0.510 20 30 CBEDHN CC#CCNC[C@H]1CN(C(=O)COC)CCCO1 ZINC001199601964 824276567 /nfs/dbraw/zinc/27/65/67/824276567.db2.gz XVRVHIVYDIULNK-LBPRGKRZSA-N 0 3 254.330 -0.137 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(C)=O)CCCO1 ZINC001199623919 824278217 /nfs/dbraw/zinc/27/82/17/824278217.db2.gz NHMLXTDLYDCOGN-DGCLKSJQSA-N 0 3 281.356 -0.649 20 30 CBEDHN COCC#CCNC[C@@H]1CN(C(=O)CCOC)CCCO1 ZINC001199654030 824280665 /nfs/dbraw/zinc/28/06/65/824280665.db2.gz RHGOWYNBHIGRFN-CQSZACIVSA-N 0 3 298.383 -0.120 20 30 CBEDHN C=C[C@@](C)(O)CC(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC001284895639 828630849 /nfs/dbraw/zinc/63/08/49/828630849.db2.gz DQTOSAMINNOGAL-SWLSCSKDSA-N 0 3 297.399 -0.019 20 30 CBEDHN C=C[C@](C)(O)CC(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC001284895640 828630891 /nfs/dbraw/zinc/63/08/91/828630891.db2.gz DQTOSAMINNOGAL-WFASDCNBSA-N 0 3 297.399 -0.019 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CCCO1 ZINC001199763711 824286373 /nfs/dbraw/zinc/28/63/73/824286373.db2.gz UIJHRZGCNRZHGK-WCQYABFASA-N 0 3 281.356 -0.649 20 30 CBEDHN CC(C)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 ZINC001199863608 824293189 /nfs/dbraw/zinc/29/31/89/824293189.db2.gz KJAWRMGLNUAKSW-LBPRGKRZSA-N 0 3 296.371 -0.511 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)CCn2cncn2)CCCO1 ZINC001199854239 824293291 /nfs/dbraw/zinc/29/32/91/824293291.db2.gz WBGQEDGKKCNQEC-CYBMUJFWSA-N 0 3 291.355 -0.492 20 30 CBEDHN C=CCCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200083338 824305317 /nfs/dbraw/zinc/30/53/17/824305317.db2.gz HEGDMPYSGSUUHK-NSHDSACASA-N 0 3 269.345 -0.355 20 30 CBEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001200084048 824305669 /nfs/dbraw/zinc/30/56/69/824305669.db2.gz RZTALDXRJKZFDE-CHWSQXEVSA-N 0 3 293.367 -0.505 20 30 CBEDHN C=CCOCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001200092108 824306035 /nfs/dbraw/zinc/30/60/35/824306035.db2.gz DLNBIZOYLMMTNK-NWDGAFQWSA-N 0 3 299.371 -0.730 20 30 CBEDHN C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001200114097 824306658 /nfs/dbraw/zinc/30/66/58/824306658.db2.gz AOZAWKQLUYIZLK-NEPJUHHUSA-N 0 3 296.371 -0.559 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCCO1 ZINC001200174345 824310377 /nfs/dbraw/zinc/31/03/77/824310377.db2.gz ZHMYWBPUVGYPIP-ZDUSSCGKSA-N 0 3 276.340 -0.208 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 ZINC001200238494 824313663 /nfs/dbraw/zinc/31/36/63/824313663.db2.gz MYUKPTCYYISFKD-STQMWFEESA-N 0 3 293.367 -0.647 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)CCCC(=O)NC)CCCO1 ZINC001200338398 824315007 /nfs/dbraw/zinc/31/50/07/824315007.db2.gz NKVSVHMZXDSHGM-CYBMUJFWSA-N 0 3 295.383 -0.257 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)CCCC(=O)NC)CCCO1 ZINC001200338400 824315238 /nfs/dbraw/zinc/31/52/38/824315238.db2.gz NKVSVHMZXDSHGM-ZDUSSCGKSA-N 0 3 295.383 -0.257 20 30 CBEDHN C#CCCCCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200321477 824315407 /nfs/dbraw/zinc/31/54/07/824315407.db2.gz IDMPIUDGPCHFNP-CYBMUJFWSA-N 0 3 295.383 -0.128 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)c2cn(C)nn2)CCCO1 ZINC001200420837 824317949 /nfs/dbraw/zinc/31/79/49/824317949.db2.gz ZOPDHPITKGJXJO-NSHDSACASA-N 0 3 277.328 -0.731 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)CCNC(=O)NC)CCCO1 ZINC001200436462 824319525 /nfs/dbraw/zinc/31/95/25/824319525.db2.gz PSSAEYQKFQSKME-GFCCVEGCSA-N 0 3 296.371 -0.854 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 ZINC001200511753 824320374 /nfs/dbraw/zinc/32/03/74/824320374.db2.gz ZTEOCNACMKPCJH-NEPJUHHUSA-N 0 3 296.371 -0.726 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)CCCO1 ZINC001200573372 824321414 /nfs/dbraw/zinc/32/14/14/824321414.db2.gz IRUYYZPSNSYZEY-CHWSQXEVSA-N 0 3 295.383 -0.259 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCCO1 ZINC001200680378 824324587 /nfs/dbraw/zinc/32/45/87/824324587.db2.gz OLGXBBOVLPMXGD-QWHCGFSZSA-N 0 3 293.367 -0.647 20 30 CBEDHN C=CC(C)(C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201138079 824328004 /nfs/dbraw/zinc/32/80/04/824328004.db2.gz HZECUGJREKYNPL-LLVKDONJSA-N 0 3 283.372 -0.109 20 30 CBEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CCCO1 ZINC001201161612 824328794 /nfs/dbraw/zinc/32/87/94/824328794.db2.gz DHVNUVYOQLCTCU-OLZOCXBDSA-N 0 3 295.383 -0.272 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)Cc2nonc2C)CCCO1 ZINC001201759515 824336113 /nfs/dbraw/zinc/33/61/13/824336113.db2.gz VYQCTZSLCWDVDG-GFCCVEGCSA-N 0 3 292.339 -0.239 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)COCCCOC)CCCO1 ZINC001201823516 824336416 /nfs/dbraw/zinc/33/64/16/824336416.db2.gz IEUFJTFHEZUSMH-AWEZNQCLSA-N 0 3 298.383 -0.120 20 30 CBEDHN CC#CCNC[C@H]1CN(C(=O)Cn2cncn2)CCCO1 ZINC001202005589 824340692 /nfs/dbraw/zinc/34/06/92/824340692.db2.gz FOYMKYFQURZNAF-ZDUSSCGKSA-N 0 3 291.355 -0.492 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)CCOCCOC)CCCO1 ZINC001202199635 824341680 /nfs/dbraw/zinc/34/16/80/824341680.db2.gz BWMIBEAENGAUFU-CQSZACIVSA-N 0 3 298.383 -0.120 20 30 CBEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCCO)C[C@H]1C ZINC001206955015 824414318 /nfs/dbraw/zinc/41/43/18/824414318.db2.gz GVVYYHNVPKCXNV-FRRDWIJNSA-N 0 3 268.357 -0.156 20 30 CBEDHN CCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001206984648 824416681 /nfs/dbraw/zinc/41/66/81/824416681.db2.gz VZYFLSBSRGSMCK-JTQLQIEISA-N 0 3 252.318 -0.383 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCOC)C1 ZINC001207040619 824418463 /nfs/dbraw/zinc/41/84/63/824418463.db2.gz CHSTYNVCMORLGE-OLZOCXBDSA-N 0 3 295.383 -0.259 20 30 CBEDHN CC(F)(F)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001207042804 824419201 /nfs/dbraw/zinc/41/92/01/824419201.db2.gz WWEDNKVHPWMCMB-VIFPVBQESA-N 0 3 288.298 -0.138 20 30 CBEDHN CSCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 ZINC001207150006 824420872 /nfs/dbraw/zinc/42/08/72/824420872.db2.gz BECRHLNEABVCSP-SNVBAGLBSA-N 0 3 284.385 -0.430 20 30 CBEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)COCC)C1 ZINC001207143530 824421608 /nfs/dbraw/zinc/42/16/08/824421608.db2.gz MYUGYOGAVDEQLG-LBPRGKRZSA-N 0 3 283.372 -0.094 20 30 CBEDHN N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC001207160621 824422292 /nfs/dbraw/zinc/42/22/92/824422292.db2.gz ZYIMQHGSFOMQEC-RYUDHWBXSA-N 0 3 294.355 -0.614 20 30 CBEDHN N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC001207160622 824422419 /nfs/dbraw/zinc/42/24/19/824422419.db2.gz ZYIMQHGSFOMQEC-VXGBXAGGSA-N 0 3 294.355 -0.614 20 30 CBEDHN CC(C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 ZINC001207351831 824425462 /nfs/dbraw/zinc/42/54/62/824425462.db2.gz CYYVTHKBNSIYTI-LLVKDONJSA-N 0 3 266.345 -0.137 20 30 CBEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001207343646 824425936 /nfs/dbraw/zinc/42/59/36/824425936.db2.gz NWKRTNRGRKSKTD-GFCCVEGCSA-N 0 3 265.357 -0.028 20 30 CBEDHN CC(C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001207351832 824426171 /nfs/dbraw/zinc/42/61/71/824426171.db2.gz CYYVTHKBNSIYTI-NSHDSACASA-N 0 3 266.345 -0.137 20 30 CBEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001207376636 824426178 /nfs/dbraw/zinc/42/61/78/824426178.db2.gz PZJKTRSOXSUJON-GHMZBOCLSA-N 0 3 268.361 -0.072 20 30 CBEDHN CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 ZINC001207429742 824428232 /nfs/dbraw/zinc/42/82/32/824428232.db2.gz FAWYQHLSADSZDY-RYUDHWBXSA-N 0 3 296.371 -0.368 20 30 CBEDHN C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCCOC)C1 ZINC001207522637 824428400 /nfs/dbraw/zinc/42/84/00/824428400.db2.gz BEKSEMNWWIJNJW-ZDUSSCGKSA-N 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C=C(C)C(C)(C)C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001320257074 817305103 /nfs/dbraw/zinc/30/51/03/817305103.db2.gz KFZIXJVUFMPDGF-MNOVXSKESA-N 0 3 283.372 -0.456 20 30 CBEDHN CCn1ccc(C(=O)NC[C@@H](O)CNCC#CCOC)n1 ZINC001320284064 817314003 /nfs/dbraw/zinc/31/40/03/817314003.db2.gz RISARZIZRRXVJJ-LBPRGKRZSA-N 0 3 294.355 -0.767 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cocn1 ZINC001320694616 817376750 /nfs/dbraw/zinc/37/67/50/817376750.db2.gz RXTZHGUYMJYYLJ-LLVKDONJSA-N 0 3 292.339 -0.136 20 30 CBEDHN C=C[C@](C)(O)CC(=O)N(CC)CCNCC(=O)NC ZINC001320723507 817381051 /nfs/dbraw/zinc/38/10/51/817381051.db2.gz ZEQYCJMAQLQHQD-ZDUSSCGKSA-N 0 3 271.361 -0.502 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@H](O)C(C)C ZINC001320725354 817383610 /nfs/dbraw/zinc/38/36/10/817383610.db2.gz XHVKGRBGZXJFRV-QWHCGFSZSA-N 0 3 297.399 -0.421 20 30 CBEDHN C#CCNCCN(CC)C(=O)[C@H](CCC)S(N)(=O)=O ZINC001320802509 817395757 /nfs/dbraw/zinc/39/57/57/817395757.db2.gz ZSBVRANEKUHRMH-NSHDSACASA-N 0 3 289.401 -0.485 20 30 CBEDHN C#CCNCCN(CC)C(=O)[C@H]1CCCCN1C(N)=O ZINC001320890118 817407090 /nfs/dbraw/zinc/40/70/90/817407090.db2.gz VBXJMOKGWUGYCI-GFCCVEGCSA-N 0 3 280.372 -0.009 20 30 CBEDHN C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)CC ZINC001320937241 817414387 /nfs/dbraw/zinc/41/43/87/817414387.db2.gz CBRCZVKQKNEJHZ-MLRMMBSGSA-N 0 3 251.330 -0.204 20 30 CBEDHN C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1cocn1 ZINC001320999266 817426095 /nfs/dbraw/zinc/42/60/95/817426095.db2.gz UCTQTFUAVYOXKG-ZWNMCFTASA-N 0 3 290.323 -0.312 20 30 CBEDHN CC[C@H](NC/C=C/CNC(=O)C#CC1CC1)C(N)=O ZINC001321051422 817435744 /nfs/dbraw/zinc/43/57/44/817435744.db2.gz LYIOUPWXJFZYOB-PCAWENJQSA-N 0 3 263.341 -0.074 20 30 CBEDHN C#CCNC/C=C/CNC(=O)c1cccn2nnnc12 ZINC001321077781 817438716 /nfs/dbraw/zinc/43/87/16/817438716.db2.gz JAFHIMIXFWMXMQ-ONEGZZNKSA-N 0 3 270.296 -0.367 20 30 CBEDHN C#CCNC/C=C/CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001321176583 817454457 /nfs/dbraw/zinc/45/44/57/817454457.db2.gz SMDXRJXIFJISMG-PCAWENJQSA-N 0 3 284.381 -0.151 20 30 CBEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1CCC(=O)N1C ZINC001321201183 817459641 /nfs/dbraw/zinc/45/96/41/817459641.db2.gz UVUQLEDLMCGRRJ-FJOGCWAESA-N 0 3 263.341 -0.108 20 30 CBEDHN CC#CCNC/C=C/CNC(=O)[C@H]1CCN(C)C1=O ZINC001321226617 817465631 /nfs/dbraw/zinc/46/56/31/817465631.db2.gz MKCIRISDEXNMOT-BTDICHCPSA-N 0 3 263.341 -0.250 20 30 CBEDHN C#CCNC/C=C/CNC(=O)CN1C(=O)CCC1=O ZINC001321386995 817492923 /nfs/dbraw/zinc/49/29/23/817492923.db2.gz AEQCDEBRPGMROA-ONEGZZNKSA-N 0 3 263.297 -0.969 20 30 CBEDHN CC#CCNC/C=C/CNC(=O)c1nccnc1C(N)=O ZINC001321390161 817493795 /nfs/dbraw/zinc/49/37/95/817493795.db2.gz WSYHKDPDQGCRMS-SNAWJCMRSA-N 0 3 287.323 -0.526 20 30 CBEDHN C#CCCN(C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090987 823873317 /nfs/dbraw/zinc/87/33/17/823873317.db2.gz HJEPWXUZIYVYSM-JTQLQIEISA-N 0 3 287.310 -0.076 20 30 CBEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163940343 819871666 /nfs/dbraw/zinc/87/16/66/819871666.db2.gz ZESCMUUUHJMCEJ-VIFPVBQESA-N 0 3 274.752 -0.142 20 30 CBEDHN 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C#CCN1C[C@@H]2CN(C(=O)CCc3cnn(C)n3)C[C@@H]2C1 ZINC001049063493 801994564 /nfs/dbraw/zinc/99/45/64/801994564.db2.gz XPISNPYSZUZKOO-BETUJISGSA-N 0 3 287.367 -0.229 20 30 CBEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@@H]2C1 ZINC001049054940 801995832 /nfs/dbraw/zinc/99/58/32/801995832.db2.gz VERFBBDFSSQKOE-ZOWXZIJZSA-N 0 3 275.352 -0.464 20 30 CBEDHN C#CCN1C[C@@H]2CN(C(=O)c3cn(CC)nn3)C[C@@H]2C1 ZINC001049140657 801999936 /nfs/dbraw/zinc/99/99/36/801999936.db2.gz PJGQGGQGPIGHFM-TXEJJXNPSA-N 0 3 273.340 -0.065 20 30 CBEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049475657 802024129 /nfs/dbraw/zinc/02/41/29/802024129.db2.gz ABWICSIDYTYLNW-OLZOCXBDSA-N 0 3 288.355 -0.238 20 30 CBEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805396 802041829 /nfs/dbraw/zinc/04/18/29/802041829.db2.gz JTUOHJZRDHUDBD-CHWSQXEVSA-N 0 3 288.355 -0.238 20 30 CBEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049968362 802045263 /nfs/dbraw/zinc/04/52/63/802045263.db2.gz 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C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186041 802327764 /nfs/dbraw/zinc/32/77/64/802327764.db2.gz BVZQSPASIPXDNX-IUODEOHRSA-N 0 3 290.367 -0.385 20 30 CBEDHN C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(N)=O ZINC001054545452 802353851 /nfs/dbraw/zinc/35/38/51/802353851.db2.gz CEUUQNFPTVXWSP-GZMMTYOYSA-N 0 3 275.312 -0.578 20 30 CBEDHN C#CCN[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1C ZINC001054819098 802371332 /nfs/dbraw/zinc/37/13/32/802371332.db2.gz BOXDNEJGIVHKFO-CMPLNLGQSA-N 0 3 284.381 -0.509 20 30 CBEDHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCc1ccc(C#N)cc1 ZINC001055023614 802389128 /nfs/dbraw/zinc/38/91/28/802389128.db2.gz RFRFMOHPVSTNET-ZWNOBZJWSA-N 0 3 286.335 -0.020 20 30 CBEDHN CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)N(C)C ZINC001057974144 802528385 /nfs/dbraw/zinc/52/83/85/802528385.db2.gz LEIITLSDWRVTQP-VXGBXAGGSA-N 0 3 298.387 -0.577 20 30 CBEDHN CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)N(C)C ZINC001058168570 802534983 /nfs/dbraw/zinc/53/49/83/802534983.db2.gz LEIITLSDWRVTQP-RYUDHWBXSA-N 0 3 298.387 -0.577 20 30 CBEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001118149211 812479126 /nfs/dbraw/zinc/47/91/26/812479126.db2.gz AAGHSKYZOBUKJJ-QWRGUYRKSA-N 0 3 254.334 -0.987 20 30 CBEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1nnnn1C ZINC001121935583 813092425 /nfs/dbraw/zinc/09/24/25/813092425.db2.gz AERRVZUYARMJTF-SNVBAGLBSA-N 0 3 279.348 -0.475 20 30 CBEDHN C=CCCC[C@@H](N)C(=O)N[C@H](COC)C(=O)OC ZINC001121957826 813096616 /nfs/dbraw/zinc/09/66/16/813096616.db2.gz HDEWYRCKTWQRBL-NXEZZACHSA-N 0 3 258.318 -0.026 20 30 CBEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(F)F ZINC001122432169 813163756 /nfs/dbraw/zinc/16/37/56/813163756.db2.gz KKXRSNHZLNSDNV-SSDOTTSWSA-N 0 3 292.286 -0.642 20 30 CBEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001122625059 813179942 /nfs/dbraw/zinc/17/99/42/813179942.db2.gz LLWNBRSZPWGXML-SCZZXKLOSA-N 0 3 278.312 -0.235 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)C[C@@H]1CCCO1 ZINC001124034505 813394819 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/nfs/dbraw/zinc/93/84/89/814938489.db2.gz FGUXTCGAGJOOGI-SNVBAGLBSA-N 0 3 292.339 -0.306 20 30 CBEDHN CNC(=O)C1(C(=O)NCCNCC#CCOC)CCC1 ZINC001148603243 814952809 /nfs/dbraw/zinc/95/28/09/814952809.db2.gz MLEMGOHDKLNLIY-UHFFFAOYSA-N 0 3 281.356 -0.742 20 30 CBEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)C ZINC001148700712 814957161 /nfs/dbraw/zinc/95/71/61/814957161.db2.gz GSCWEJDLKPAYHL-UHFFFAOYSA-N 0 3 284.360 -0.250 20 30 CBEDHN C#CCNCCNC(=O)CNC(=O)c1ccccc1 ZINC001148716160 814957592 /nfs/dbraw/zinc/95/75/92/814957592.db2.gz QRCLKNRSLHUSOU-UHFFFAOYSA-N 0 3 259.309 -0.245 20 30 CBEDHN N#CCNC(=O)CNCCNC(=O)COc1ccccc1 ZINC001148859890 814959164 /nfs/dbraw/zinc/95/91/64/814959164.db2.gz UDTBQJBUFWHZBT-UHFFFAOYSA-N 0 3 290.323 -0.589 20 30 CBEDHN N#CCNC(=O)CNCCNC(=O)c1c(F)cccc1F ZINC001148935468 814960017 /nfs/dbraw/zinc/96/00/17/814960017.db2.gz SLROXQHQVKULRE-UHFFFAOYSA-N 0 3 296.277 -0.076 20 30 CBEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)CC ZINC001321464496 803769775 /nfs/dbraw/zinc/76/97/75/803769775.db2.gz PMQCOSJEUVYKKR-WDEREUQCSA-N 0 3 253.346 -0.124 20 30 CBEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001321499351 803776064 /nfs/dbraw/zinc/77/60/64/803776064.db2.gz CTGUUHVFWAHLCG-RISCZKNCSA-N 0 3 283.372 -0.360 20 30 CBEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)CC1(O)CCC1 ZINC001321511582 803778894 /nfs/dbraw/zinc/77/88/94/803778894.db2.gz RBLNXWAXLSMETK-LLVKDONJSA-N 0 3 283.372 -0.312 20 30 CBEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001321549561 803783089 /nfs/dbraw/zinc/78/30/89/803783089.db2.gz HHWOFNJKBSDCLZ-ZJUUUORDSA-N 0 3 298.387 -0.717 20 30 CBEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)Cc1cncs1 ZINC001321551549 803783415 /nfs/dbraw/zinc/78/34/15/803783415.db2.gz SHNKRDFFUVPIFD-SNVBAGLBSA-N 0 3 294.380 -0.471 20 30 CBEDHN CNC(=O)C1(C(=O)N[C@H](C)CNCC#CCOC)CCC1 ZINC001321719961 803806211 /nfs/dbraw/zinc/80/62/11/803806211.db2.gz IJPXJKULLHYFJM-GFCCVEGCSA-N 0 3 295.383 -0.353 20 30 CBEDHN COCC#CCNC[C@@H](C)NC(=O)[C@@H]1CCCC(=O)N1C 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C#CCCCC(=O)N1CCC(O)(CNCC(=O)NC)CC1 ZINC001328154720 885585694 /nfs/dbraw/zinc/58/56/94/885585694.db2.gz QDJJPFQMINVMDM-UHFFFAOYSA-N 0 3 295.383 -0.521 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)CCNC(=O)NC)C[C@@H]1C ZINC001328241610 885609465 /nfs/dbraw/zinc/60/94/65/885609465.db2.gz TWKKTRILUQIPNQ-NWDGAFQWSA-N 0 3 280.372 -0.092 20 30 CBEDHN COCC#CC(=O)NC[C@H]1CCCN1CCCO ZINC001328327455 885635876 /nfs/dbraw/zinc/63/58/76/885635876.db2.gz DMXFOADRPYYOQB-GFCCVEGCSA-N 0 3 254.330 -0.401 20 30 CBEDHN C[C@@H](C#N)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001328324603 885637031 /nfs/dbraw/zinc/63/70/31/885637031.db2.gz QBFVEVZYVRVQTQ-NSHDSACASA-N 0 3 250.346 -0.148 20 30 CBEDHN CO[C@@H](C)C(=O)N1CCCC[C@H]1CNCC(=O)NCC#N ZINC001328598112 885739976 /nfs/dbraw/zinc/73/99/76/885739976.db2.gz OVGXKUPYPSCNEP-RYUDHWBXSA-N 0 3 296.371 -0.368 20 30 CBEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)COC(C)C ZINC001328995531 885875624 /nfs/dbraw/zinc/87/56/24/885875624.db2.gz LOZZKTDCFVUCGM-NWDGAFQWSA-N 0 3 283.372 -0.356 20 30 CBEDHN COCC#CCN[C@H](C)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001328995346 885876313 /nfs/dbraw/zinc/87/63/13/885876313.db2.gz KONPDRASRBRWFM-GHMZBOCLSA-N 0 3 290.385 -0.836 20 30 CBEDHN CN(CC(=O)N1CCOCC1)C(=O)[C@@H](N)CCCC#N ZINC001329038124 885893794 /nfs/dbraw/zinc/89/37/94/885893794.db2.gz XWTUORRANLRTIZ-NSHDSACASA-N 0 3 282.344 -0.675 20 30 CBEDHN COCC#CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001329062336 885909258 /nfs/dbraw/zinc/90/92/58/885909258.db2.gz RADMCLDOGPEBAX-RYUDHWBXSA-N 0 3 252.314 -0.696 20 30 CBEDHN CN(C)CCONC(=O)CCNC(=O)C1N=CC=CC1=O ZINC001329334747 886021003 /nfs/dbraw/zinc/02/10/03/886021003.db2.gz QYDLRGJGKCRUIH-OUKQBFOZSA-N 0 3 296.327 -0.488 20 30 CBEDHN C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC001329625668 886149494 /nfs/dbraw/zinc/14/94/94/886149494.db2.gz GGBDYQUQQNZVJO-RYUDHWBXSA-N 0 3 283.372 -0.096 20 30 CBEDHN C#CCOCCC(=O)N[C@H](C)C1CN(CCCO)C1 ZINC001329996473 886316439 /nfs/dbraw/zinc/31/64/39/886316439.db2.gz DCXPKZGIBCITIC-GFCCVEGCSA-N 0 3 268.357 -0.155 20 30 CBEDHN C#CCOCCC(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC001329996475 886317816 /nfs/dbraw/zinc/31/78/16/886317816.db2.gz DCXPKZGIBCITIC-LBPRGKRZSA-N 0 3 268.357 -0.155 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(=O)CC)[C@@H]2C1 ZINC001330299090 886414760 /nfs/dbraw/zinc/41/47/60/886414760.db2.gz ULBSXDVYYNBAKA-ZDEQEGDKSA-N 0 3 277.368 -0.172 20 30 CBEDHN CCOCC(=O)N1CCO[C@@H]([C@@H](C)NCC#CCOC)C1 ZINC001330379634 886433416 /nfs/dbraw/zinc/43/34/16/886433416.db2.gz ARUBOKYTMISZSX-ZIAGYGMSSA-N 0 3 298.383 -0.122 20 30 CBEDHN CCOCC(=O)N1CCO[C@H]([C@@H](C)NCC#CCOC)C1 ZINC001330379630 886434011 /nfs/dbraw/zinc/43/40/11/886434011.db2.gz ARUBOKYTMISZSX-KGLIPLIRSA-N 0 3 298.383 -0.122 20 30 CBEDHN CCN1CCN([C@@H](C)CNC(=O)C#CCOC)CC1 ZINC001330393034 886436129 /nfs/dbraw/zinc/43/61/29/886436129.db2.gz DTKQLVHEZSDYOC-ZDUSSCGKSA-N 0 3 267.373 -0.222 20 30 CBEDHN C=CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H](C)COC ZINC001330532885 886473364 /nfs/dbraw/zinc/47/33/64/886473364.db2.gz UCTFYDUCMJTUBF-RYUDHWBXSA-N 0 3 299.371 -0.860 20 30 CBEDHN C#CCN(C)CCOCCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001331123128 886683750 /nfs/dbraw/zinc/68/37/50/886683750.db2.gz PSASJLZQXMNILG-ZDUSSCGKSA-N 0 3 295.383 -0.447 20 30 CBEDHN C#CCN(C)CCOCCNC(=O)c1ncccn1 ZINC001331158492 886700650 /nfs/dbraw/zinc/70/06/50/886700650.db2.gz MNYITCOJLXYNLH-UHFFFAOYSA-N 0 3 262.313 -0.212 20 30 CBEDHN C#CCN(C)CCOCCNC(=O)c1cnc(OC)nc1 ZINC001331159487 886702077 /nfs/dbraw/zinc/70/20/77/886702077.db2.gz XOPMCUSKMHYSAI-UHFFFAOYSA-N 0 3 292.339 -0.203 20 30 CBEDHN CN(C(=O)C1CC1)[C@H](CNCC(=O)NCC#N)C1CC1 ZINC001331241240 886748658 /nfs/dbraw/zinc/74/86/58/886748658.db2.gz OPRXQSORILGOKO-GFCCVEGCSA-N 0 3 278.356 -0.137 20 30 CBEDHN C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cc[nH]n1 ZINC001331385646 886786891 /nfs/dbraw/zinc/78/68/91/886786891.db2.gz GDMYDVPJRJQGDI-JTQLQIEISA-N 0 3 279.344 -0.238 20 30 CBEDHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C#CC1CC1 ZINC001331440178 886807038 /nfs/dbraw/zinc/80/70/38/886807038.db2.gz 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/nfs/dbraw/zinc/01/50/13/887015013.db2.gz TYJLHGPBQCDVDC-CHWSQXEVSA-N 0 3 295.383 -0.260 20 30 CBEDHN C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccon1 ZINC001331959112 887065794 /nfs/dbraw/zinc/06/57/94/887065794.db2.gz OQMQSPNHQFTTGT-VHSXEESVSA-N 0 3 291.311 -0.493 20 30 CBEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)COCCOC)C1 ZINC001331970294 887070287 /nfs/dbraw/zinc/07/02/87/887070287.db2.gz MQHKITOVGHOHKD-KBPBESRZSA-N 0 3 298.383 -0.122 20 30 CBEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001332051743 887094972 /nfs/dbraw/zinc/09/49/72/887094972.db2.gz ZQMLFFGABCZWEV-GHMZBOCLSA-N 0 3 287.385 -0.910 20 30 CBEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001332063100 887097759 /nfs/dbraw/zinc/09/77/59/887097759.db2.gz DRTDIEPSNFPEDU-CHWSQXEVSA-N 0 3 295.383 -0.129 20 30 CBEDHN C#CCN1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@@H]12 ZINC001332118257 887118850 /nfs/dbraw/zinc/11/88/50/887118850.db2.gz NQQGZQVORKONRP-BXUZGUMPSA-N 0 3 278.356 -0.209 20 30 CBEDHN CC(C)CC(=O)N(C)C[C@H](O)CNCC(=O)NCC#N ZINC001332468491 887298323 /nfs/dbraw/zinc/29/83/23/887298323.db2.gz FTOMNGIPTKPWQB-LLVKDONJSA-N 0 3 284.360 -0.919 20 30 CBEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)CNCC(=O)NCC ZINC001332550090 887350687 /nfs/dbraw/zinc/35/06/87/887350687.db2.gz DVEHQMHEOKHYSN-LLVKDONJSA-N 0 3 285.388 -0.256 20 30 CBEDHN CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC#N ZINC001332605971 887370605 /nfs/dbraw/zinc/37/06/05/887370605.db2.gz MCNXRWWPKCNGTH-STQMWFEESA-N 0 3 282.388 -0.207 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001332632710 887384700 /nfs/dbraw/zinc/38/47/00/887384700.db2.gz OUGALKHBTOUBMB-OLZOCXBDSA-N 0 3 297.399 -0.208 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(=O)CC ZINC001332632257 887385033 /nfs/dbraw/zinc/38/50/33/887385033.db2.gz NDJURBHAPZFMCX-RYUDHWBXSA-N 0 3 285.388 -0.162 20 30 CBEDHN C#CCO[C@@H](C)C(=O)N[C@@H](CNCC(=O)NC)C(C)(C)C ZINC001332793754 887431417 /nfs/dbraw/zinc/43/14/17/887431417.db2.gz ZJTSMZFHPGTBNT-RYUDHWBXSA-N 0 3 297.399 -0.109 20 30 CBEDHN Cn1cc([C@@H](O)CNC(=O)[C@H](N)CCCCC#N)cn1 ZINC001332928353 887478379 /nfs/dbraw/zinc/47/83/79/887478379.db2.gz HKIFPYGYLUFHJD-NEPJUHHUSA-N 0 3 279.344 -0.019 20 30 CBEDHN Cn1cc([C@H](O)CNC(=O)[C@H](N)CCCCC#N)cn1 ZINC001332928356 887478504 /nfs/dbraw/zinc/47/85/04/887478504.db2.gz HKIFPYGYLUFHJD-VXGBXAGGSA-N 0 3 279.344 -0.019 20 30 CBEDHN C[C@H](C#N)C(=O)N(C)CCOCCN[C@H]1CCCNC1=O ZINC001333206993 887562754 /nfs/dbraw/zinc/56/27/54/887562754.db2.gz PLIODKCCXBZXRQ-NEPJUHHUSA-N 0 3 296.371 -0.511 20 30 CBEDHN CN(CCNC(=O)c1ccc(C#N)nc1)CCOCCO ZINC001334322942 887923730 /nfs/dbraw/zinc/92/37/30/887923730.db2.gz XYXWMDZGDIRUOW-UHFFFAOYSA-N 0 3 292.339 -0.376 20 30 CBEDHN C=CC[C@H](CC)NC(=O)C(=O)N1CCNCCNCC1 ZINC001335208337 888448334 /nfs/dbraw/zinc/44/83/34/888448334.db2.gz UMUIFTOEASOSKO-LBPRGKRZSA-N 0 3 282.388 -0.521 20 30 CBEDHN C=CCNC(=O)CNC[C@@H](O)C[C@](C)(O)C1CC1 ZINC001335383047 888519374 /nfs/dbraw/zinc/51/93/74/888519374.db2.gz SYOOFIZWRGKTGM-AAEUAGOBSA-N 0 3 256.346 -0.210 20 30 CBEDHN CC1=NO[C@@H](CNC[C@@H](O)CN(C)CCC#N)C1 ZINC001335426454 888531426 /nfs/dbraw/zinc/53/14/26/888531426.db2.gz RULSBXVEGFPVHA-VXGBXAGGSA-N 0 3 254.334 -0.053 20 30 CBEDHN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H](N)CCCC#N ZINC001336711197 888853018 /nfs/dbraw/zinc/85/30/18/888853018.db2.gz HWHPLVPAZDYDTK-OLZOCXBDSA-N 0 3 298.387 -0.841 20 30 CBEDHN C#CCN1CCC(C(=O)NN2CC(=O)N(C)C2=O)CC1 ZINC001337282239 888988410 /nfs/dbraw/zinc/98/84/10/888988410.db2.gz SHXOUCLADOEKAK-UHFFFAOYSA-N 0 3 278.312 -0.743 20 30 CBEDHN C=CCNC(=O)CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001339999392 889363434 /nfs/dbraw/zinc/36/34/34/889363434.db2.gz VKVAPVWPHXYWAO-VHSXEESVSA-N 0 3 254.334 -0.320 20 30 CBEDHN C#CCNCC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC001340710846 889470785 /nfs/dbraw/zinc/47/07/85/889470785.db2.gz WKOHHRPWGQSKPJ-AWEZNQCLSA-N 0 3 279.384 -0.078 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC001340736177 889476488 /nfs/dbraw/zinc/47/64/88/889476488.db2.gz SFODZLQQKLQBAC-DCAQKATOSA-N 0 3 290.385 -0.402 20 30 CBEDHN C#CCNC(=O)CCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001340885419 889505876 /nfs/dbraw/zinc/50/58/76/889505876.db2.gz MXMSJEZKUYRTOK-GFCCVEGCSA-N 0 3 279.340 -0.989 20 30 CBEDHN C=CCCC[C@H](NC(=O)[C@@H]1CNCCN1C)C(=O)OC ZINC001341110411 889545381 /nfs/dbraw/zinc/54/53/81/889545381.db2.gz WAWQVVYUPBYKCR-RYUDHWBXSA-N 0 3 283.372 -0.096 20 30 CBEDHN C=CCCC[C@@H](N)C(=O)N1CCN(CC(=O)NCC)CC1 ZINC001341643711 889639655 /nfs/dbraw/zinc/63/96/55/889639655.db2.gz CREKIQFEPPMNMP-CYBMUJFWSA-N 0 3 296.415 -0.050 20 30 CBEDHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC001341649665 889640206 /nfs/dbraw/zinc/64/02/06/889640206.db2.gz NUECUFZUJLKMEF-LNFKQOIKSA-N 0 3 259.313 -0.249 20 30 CBEDHN CNC(=O)NCCC(=O)C(C#N)C(=O)NC(C)C ZINC001341931168 889684670 /nfs/dbraw/zinc/68/46/70/889684670.db2.gz REIGSGQAFGFUIS-MRVPVSSYSA-N 0 3 254.290 -0.461 20 30 CBEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCNC1=O ZINC001341956450 889689432 /nfs/dbraw/zinc/68/94/32/889689432.db2.gz XQDVEIBSYPIEOJ-RKDXNWHRSA-N 0 3 251.286 -0.254 20 30 CBEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C)C[C@@H]1CO ZINC001342036664 889701719 /nfs/dbraw/zinc/70/17/19/889701719.db2.gz RETATLWJKZCWKP-ZJUUUORDSA-N 0 3 261.753 -0.409 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C)C[C@H]1CO ZINC001342036660 889702759 /nfs/dbraw/zinc/70/27/59/889702759.db2.gz RETATLWJKZCWKP-VHSXEESVSA-N 0 3 261.753 -0.409 20 30 CBEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1nnnn1C ZINC001342927349 889845394 /nfs/dbraw/zinc/84/53/94/889845394.db2.gz OQCMGYYDRWEAET-QMMMGPOBSA-N 0 3 272.740 -0.271 20 30 CBEDHN COC(=O)NCC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC001343329528 889887566 /nfs/dbraw/zinc/88/75/66/889887566.db2.gz BOSJPXSJEUVGAG-JTQLQIEISA-N 0 3 299.327 -0.017 20 30 CBEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1nnnn1C ZINC001343343639 889891044 /nfs/dbraw/zinc/89/10/44/889891044.db2.gz HUSATKRWEVAZGZ-RQJHMYQMSA-N 0 3 258.713 -0.143 20 30 CBEDHN COCCCNC(=O)C(C#N)C(=O)[C@@]1(F)CCOC1 ZINC001343386672 889899229 /nfs/dbraw/zinc/89/92/29/889899229.db2.gz MQADMJTWHAUKHC-JOYOIKCWSA-N 0 3 272.276 -0.023 20 30 CBEDHN COCCNC(=O)C(C#N)C(=O)C[C@@H]1CCOC1 ZINC001343447447 889910097 /nfs/dbraw/zinc/91/00/97/889910097.db2.gz OKEXCMKFBYXZPW-VHSXEESVSA-N 0 3 254.286 -0.116 20 30 CBEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC(=O)N1C ZINC001343563682 889932011 /nfs/dbraw/zinc/93/20/11/889932011.db2.gz OTWLNAYQLIAQAC-MNOVXSKESA-N 0 3 295.339 -0.141 20 30 CBEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC001344128701 890006172 /nfs/dbraw/zinc/00/61/72/890006172.db2.gz UJWLIYWQBHXRPQ-NWDGAFQWSA-N 0 3 298.387 -0.174 20 30 CBEDHN COCCNC(=O)C(C#N)C(=O)COCc1ccnn1C ZINC001346087346 890210232 /nfs/dbraw/zinc/21/02/32/890210232.db2.gz FFSVAJBJQYCWRM-NSHDSACASA-N 0 3 294.311 -0.592 20 30 CBEDHN CNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC001346297103 890261359 /nfs/dbraw/zinc/26/13/59/890261359.db2.gz YAWVUMANMPLLIW-UWVGGRQHSA-N 0 3 263.297 -0.158 20 30 CBEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001346493323 890308486 /nfs/dbraw/zinc/30/84/86/890308486.db2.gz QWXGVTGRJDSVKV-VWYCJHECSA-N 0 3 282.344 -0.453 20 30 CBEDHN N#CC1(CC(=O)NC[C@H]2CNCCO2)CCOCC1 ZINC001347097421 890405397 /nfs/dbraw/zinc/40/53/97/890405397.db2.gz JWMWIUKGWWRYRM-LLVKDONJSA-N 0 3 267.329 -0.199 20 30 CBEDHN C=CCn1cc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)nn1 ZINC001347160495 890421348 /nfs/dbraw/zinc/42/13/48/890421348.db2.gz OARLPGTUSHXGSA-UHFFFAOYSA-N 0 3 289.299 -0.652 20 30 CBEDHN C#CCN1CCC(C(=O)NC[C@H](O)c2c[nH]cn2)CC1 ZINC001347648354 890490885 /nfs/dbraw/zinc/49/08/85/890490885.db2.gz LWAMYEBNOCZAKM-ZDUSSCGKSA-N 0 3 276.340 -0.096 20 30 CBEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CN3CCN2C[C@@H]3C)C1 ZINC001348199525 890572132 /nfs/dbraw/zinc/57/21/32/890572132.db2.gz GQHSWFXPJLLGMB-KKUMJFAQSA-N 0 3 290.411 -0.412 20 30 CBEDHN CON(C)C(=O)[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001349818006 890901470 /nfs/dbraw/zinc/90/14/70/890901470.db2.gz NFGMGRMRSQZNKT-OZAVNUTGSA-N 0 3 294.355 -0.350 20 30 CBEDHN C[C@@H](C#N)OCCN1CCC(O)(COCCO)CC1 ZINC001350084850 890934304 /nfs/dbraw/zinc/93/43/04/890934304.db2.gz HDWYXOHGNDTACO-LBPRGKRZSA-N 0 3 272.345 -0.249 20 30 CBEDHN CCC(C#N)C(=O)NC1(C(=O)OC)CC(CO)C1 ZINC001351081195 891105434 /nfs/dbraw/zinc/10/54/34/891105434.db2.gz DZLDRCBUOFSXBJ-NBBOBHDQSA-N 0 3 254.286 -0.034 20 30 CBEDHN C=C(C)C[C@@H](NC(=O)[C@@H](N)CN(C)C)C(=O)OCC ZINC001353108306 891357473 /nfs/dbraw/zinc/35/74/73/891357473.db2.gz GFBKPSATJMPWLN-WDEREUQCSA-N 0 3 271.361 -0.111 20 30 CBEDHN C=C[C@@H](COC)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001353373117 891417584 /nfs/dbraw/zinc/41/75/84/891417584.db2.gz FIOVHENFHCICBD-RYUDHWBXSA-N 0 3 298.387 -0.051 20 30 CBEDHN C=CCN1CCC(NC(=O)[C@H]2CN(C)C(=O)CN2)CC1 ZINC001353533842 891444202 /nfs/dbraw/zinc/44/42/02/891444202.db2.gz AXRLNQDTLZPFGX-GFCCVEGCSA-N 0 3 280.372 -0.817 20 30 CBEDHN C#CCN1CCC(C(=O)NC(C)(C)CNC(N)=O)CC1 ZINC001353875187 891482550 /nfs/dbraw/zinc/48/25/50/891482550.db2.gz DXRUISDMBLDSKZ-UHFFFAOYSA-N 0 3 280.372 -0.105 20 30 CBEDHN N#C[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC001353942370 891490493 /nfs/dbraw/zinc/49/04/93/891490493.db2.gz CYBYFRJVVKQBOO-LLVKDONJSA-N 0 3 264.329 -0.430 20 30 CBEDHN C#CCC1(O)CCN(C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001354893041 891628174 /nfs/dbraw/zinc/62/81/74/891628174.db2.gz UAAKLOOCVCYAOJ-UKRRQHHQSA-N 0 3 283.368 -0.261 20 30 CBEDHN C=CCOCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001355518494 891686603 /nfs/dbraw/zinc/68/66/03/891686603.db2.gz XUGWNHCTIXKMFY-LBPRGKRZSA-N 0 3 283.372 -0.142 20 30 CBEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001356088693 891726616 /nfs/dbraw/zinc/72/66/16/891726616.db2.gz STZWIMNUWKRBCU-QWRGUYRKSA-N 0 3 295.339 -0.236 20 30 CBEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001450483791 913701290 /nfs/dbraw/zinc/70/12/90/913701290.db2.gz GEWWMGUAUCBCQC-NEPJUHHUSA-N 0 3 265.357 -0.041 20 30 CBEDHN N#CC1(C[C@H](O)CN2CC[C@@H](O)[C@@H](CO)C2)CCOCC1 ZINC001363263093 893509580 /nfs/dbraw/zinc/50/95/80/893509580.db2.gz NRUSWDGMGAZWAF-HZSPNIEDSA-N 0 3 298.383 -0.267 20 30 CBEDHN N#CC1(C[C@@H](O)CN2CC[C@H](NC(N)=O)C2)CCOCC1 ZINC001364380113 894380851 /nfs/dbraw/zinc/38/08/51/894380851.db2.gz CEDMFXBQIQKJJJ-NWDGAFQWSA-N 0 3 296.371 -0.200 20 30 CBEDHN CN(CCC#N)S(=O)(=O)N1C[C@H]2CCN(C)C[C@H]2C1 ZINC001364876902 894668874 /nfs/dbraw/zinc/66/88/74/894668874.db2.gz AGGLWWZPHGEBDL-NEPJUHHUSA-N 0 3 286.401 -0.040 20 30 CBEDHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001367729266 895775714 /nfs/dbraw/zinc/77/57/14/895775714.db2.gz BQGYDAUSKGJONL-JTQLQIEISA-N 0 3 289.339 -0.173 20 30 CBEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNCC(=O)N1CCCC1 ZINC001369449837 896274385 /nfs/dbraw/zinc/27/43/85/896274385.db2.gz KEZUAYDIALXEFI-NEPJUHHUSA-N 0 3 296.371 -0.823 20 30 CBEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001372297092 896768221 /nfs/dbraw/zinc/76/82/21/896768221.db2.gz BSCJQTMRRQZRDC-NEPJUHHUSA-N 0 3 278.356 -0.041 20 30 CBEDHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001374873450 897416531 /nfs/dbraw/zinc/41/65/31/897416531.db2.gz HCHIEAOCCMYZET-ONGXEEELSA-N 0 3 289.339 -0.127 20 30 CBEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N[C@H]1CCNC1=O ZINC001376706671 897813929 /nfs/dbraw/zinc/81/39/29/897813929.db2.gz BTUVJKCMYGVJNF-KWQFWETISA-N 0 3 275.312 -0.517 20 30 CBEDHN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001377593708 898102577 /nfs/dbraw/zinc/10/25/77/898102577.db2.gz KKHFXTQERZAENQ-UWVGGRQHSA-N 0 3 295.343 -0.688 20 30 CBEDHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001378021251 898204382 /nfs/dbraw/zinc/20/43/82/898204382.db2.gz LTYYWFNDPICUGF-ZWNOBZJWSA-N 0 3 294.355 -0.056 20 30 CBEDHN CCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001379345328 898564030 /nfs/dbraw/zinc/56/40/30/898564030.db2.gz YZMRBTZDCXKBBY-NXEZZACHSA-N 0 3 297.359 -0.524 20 30 CBEDHN N#Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(CCO)C2)c1 ZINC001380528407 898887478 /nfs/dbraw/zinc/88/74/78/898887478.db2.gz WMJUYGRTEFERIM-CYBMUJFWSA-N 0 3 278.312 -0.955 20 30 CBEDHN CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001380904858 898971024 /nfs/dbraw/zinc/97/10/24/898971024.db2.gz PAUQDZCQZGROAT-MNOVXSKESA-N 0 3 282.344 -0.901 20 30 CBEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](C)NCCS(C)(=O)=O ZINC001382063716 899149507 /nfs/dbraw/zinc/14/95/07/899149507.db2.gz YIHXVZRGAMDHCU-NXEZZACHSA-N 0 3 275.374 -0.373 20 30 CBEDHN C=C(Cl)CN[C@@H](CO)CNC(=O)CCc1nc[nH]n1 ZINC001382184917 899179419 /nfs/dbraw/zinc/17/94/19/899179419.db2.gz BVDRICFYUGBAHG-SECBINFHSA-N 0 3 287.751 -0.444 20 30 CBEDHN C[C@H](C#N)C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001387804663 899831377 /nfs/dbraw/zinc/83/13/77/899831377.db2.gz CQFKAGVYAAUUTM-WDEREUQCSA-N 0 3 278.356 -0.185 20 30 CBEDHN CC[C@@H](N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001390347589 900144691 /nfs/dbraw/zinc/14/46/91/900144691.db2.gz XVHKOZQIRICNMR-PSASIEDQSA-N 0 3 277.328 -0.142 20 30 CBEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCCS(C)(=O)=O ZINC001391671011 900430136 /nfs/dbraw/zinc/43/01/36/900430136.db2.gz SJJSNRPPOOJPDG-ZJUUUORDSA-N 0 3 275.374 -0.325 20 30 CBEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCCS(C)(=O)=O ZINC001391671004 900430261 /nfs/dbraw/zinc/43/02/61/900430261.db2.gz SJJSNRPPOOJPDG-UWVGGRQHSA-N 0 3 275.374 -0.325 20 30 CBEDHN C[C@H](NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001392067727 900506794 /nfs/dbraw/zinc/50/67/94/900506794.db2.gz YGTQYXXTFNRXPG-IUCAKERBSA-N 0 3 277.328 -0.190 20 30 CBEDHN C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC1CCC1 ZINC001392364729 900586520 /nfs/dbraw/zinc/58/65/20/900586520.db2.gz MTNKSSSRJYBFGN-JQWIXIFHSA-N 0 3 296.371 -0.871 20 30 CBEDHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001392645080 900688032 /nfs/dbraw/zinc/68/80/32/900688032.db2.gz LSKNIHDPHWAEKN-MFKMUULPSA-N 0 3 294.355 -0.056 20 30 CBEDHN C[C@@H](C#N)C(=O)N[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001392773171 900720422 /nfs/dbraw/zinc/72/04/22/900720422.db2.gz QCMOWKHERLFWKV-JOYOIKCWSA-N 0 3 278.356 -0.091 20 30 CBEDHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001398495938 901546135 /nfs/dbraw/zinc/54/61/35/901546135.db2.gz VPFQDODLWMDJMC-KOLCDFICSA-N 0 3 289.339 -0.175 20 30 CBEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NCC(=O)NC1CC1 ZINC001398910052 901628097 /nfs/dbraw/zinc/62/80/97/901628097.db2.gz CNMNSGIENWIZOL-VIFPVBQESA-N 0 3 289.339 -0.127 20 30 CBEDHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001401611311 902187947 /nfs/dbraw/zinc/18/79/47/902187947.db2.gz IIWPFQISJOSAJQ-DTWKUNHWSA-N 0 3 283.332 -0.914 20 30 CBEDHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001402957932 902573151 /nfs/dbraw/zinc/57/31/51/902573151.db2.gz BFSRARKFWAQFPA-BDAKNGLRSA-N 0 3 277.328 -0.271 20 30 CBEDHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001403569374 902735905 /nfs/dbraw/zinc/73/59/05/902735905.db2.gz YGVOBYGIKARKLQ-VIFPVBQESA-N 0 3 277.328 -0.318 20 30 CBEDHN C=C(Cl)CN[C@@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001403705943 902812443 /nfs/dbraw/zinc/81/24/43/902812443.db2.gz UKLSFECCYGAJAA-SNVBAGLBSA-N 0 3 272.736 -0.229 20 30 CBEDHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001405803881 903224256 /nfs/dbraw/zinc/22/42/56/903224256.db2.gz FQSBAJBOTYLBCC-VIFPVBQESA-N 0 3 277.328 -0.318 20 30 CBEDHN COC[C@H](O)CN(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001406097700 903268079 /nfs/dbraw/zinc/26/80/79/903268079.db2.gz KIADTCOPNHRVNU-GFCCVEGCSA-N 0 3 294.355 -0.103 20 30 CBEDHN C=C(Cl)CNC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001406298945 903347881 /nfs/dbraw/zinc/34/78/81/903347881.db2.gz XNYNVQGKSKUTLB-MRVPVSSYSA-N 0 3 273.724 -0.834 20 30 CBEDHN C[C@@H](C#N)C(=O)N(CCO)CCN[C@@H]1CCCN(C)C1=O ZINC001407697263 903647878 /nfs/dbraw/zinc/64/78/78/903647878.db2.gz RLFRFUGRFGJEFT-NWDGAFQWSA-N 0 3 296.371 -0.823 20 30 CBEDHN CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001407833561 903665902 /nfs/dbraw/zinc/66/59/02/903665902.db2.gz FRLCTFFGPXVQJU-RYUDHWBXSA-N 0 3 296.371 -0.511 20 30 CBEDHN C#CCCN1CCN(C[C@H](O)COCCOC)CC1 ZINC001459899455 914748337 /nfs/dbraw/zinc/74/83/37/914748337.db2.gz LJELYQWQQCCFNI-AWEZNQCLSA-N 0 3 270.373 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NGSMYFQMNUEZOE-ZYHUDNBSSA-N 0 3 283.372 -0.504 20 30 CBEDHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001420248660 907045308 /nfs/dbraw/zinc/04/53/08/907045308.db2.gz WLXGTPRDXFZWIP-SECBINFHSA-N 0 3 277.328 -0.188 20 30 CBEDHN C=CCNC(=O)CNC[C@H]1CN(C(=O)CC)CCO1 ZINC001502031885 921319816 /nfs/dbraw/zinc/31/98/16/921319816.db2.gz LHVTZXFBRPVHSC-NSHDSACASA-N 0 3 269.345 -0.484 20 30 CBEDHN C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC)CCO1 ZINC001502031884 921320926 /nfs/dbraw/zinc/32/09/26/921320926.db2.gz LHVTZXFBRPVHSC-LLVKDONJSA-N 0 3 269.345 -0.484 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)c2cn(C)nc2C)CCO1 ZINC001502044030 921324565 /nfs/dbraw/zinc/32/45/65/921324565.db2.gz RPESTZPAHFLPCD-GFCCVEGCSA-N 0 3 276.340 -0.208 20 30 CBEDHN C#CCCCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001502050500 921328125 /nfs/dbraw/zinc/32/81/25/921328125.db2.gz AOYFLEYRJIPBNY-STQMWFEESA-N 0 3 295.383 -0.259 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)C2(F)CCOCC2)CCO1 ZINC001502058804 921330497 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C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCC(C)(C)C ZINC001422270351 907769299 /nfs/dbraw/zinc/76/92/99/907769299.db2.gz YJNZSGFGTZPDAO-WDEREUQCSA-N 0 3 298.387 -0.625 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2cnn(C)c2C)C1 ZINC001502554910 921363799 /nfs/dbraw/zinc/36/37/99/921363799.db2.gz AHHOFSKPFSTPHV-HNNXBMFYSA-N 0 3 290.367 -0.082 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001502553299 921364952 /nfs/dbraw/zinc/36/49/52/921364952.db2.gz WBQXWSDOQBEVIR-OAHLLOKOSA-N 0 3 289.335 -0.490 20 30 CBEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(NCC#CC)C1 ZINC001502568450 921366659 /nfs/dbraw/zinc/36/66/59/921366659.db2.gz TTYSIURGVIYAFY-GOEBONIOSA-N 0 3 292.379 -0.009 20 30 CBEDHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001422639094 907963553 /nfs/dbraw/zinc/96/35/53/907963553.db2.gz XRBOHIOFVANAKM-ONGXEEELSA-N 0 3 289.339 -0.175 20 30 CBEDHN C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(NCC#CC)C1 ZINC001502568452 921367473 /nfs/dbraw/zinc/36/74/73/921367473.db2.gz 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C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cncn1C ZINC001505643794 921458619 /nfs/dbraw/zinc/45/86/19/921458619.db2.gz BYTNWVVGQGYOEL-WDEREUQCSA-N 0 3 291.355 -0.734 20 30 CBEDHN C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cncn1C ZINC001505643793 921458986 /nfs/dbraw/zinc/45/89/86/921458986.db2.gz BYTNWVVGQGYOEL-QWRGUYRKSA-N 0 3 291.355 -0.734 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1n[nH]cc1F ZINC001505686795 921467517 /nfs/dbraw/zinc/46/75/17/921467517.db2.gz VBMQWLCMTAVLCB-BDAKNGLRSA-N 0 3 295.318 -0.605 20 30 CBEDHN C=CCN(C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001505919049 921500378 /nfs/dbraw/zinc/50/03/78/921500378.db2.gz XJJFYWCLCXYXQF-SNVBAGLBSA-N 0 3 277.390 -0.452 20 30 CBEDHN C[C@H](C#N)C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001432340934 909611249 /nfs/dbraw/zinc/61/12/49/909611249.db2.gz PEFCNUCKGRBSJM-SNVBAGLBSA-N 0 3 278.356 -0.043 20 30 CBEDHN C[C@H]1CCN(CC(=O)NC2(CCO)CN(CC#N)C2)C1 ZINC001506119225 921551211 /nfs/dbraw/zinc/55/12/11/921551211.db2.gz NXWAKNJZRGTNPQ-LBPRGKRZSA-N 0 3 280.372 -0.595 20 30 CBEDHN N#CC1(C[C@@H](O)CN2CCC(O)(CO)CC2)CCOCC1 ZINC001434479372 910216755 /nfs/dbraw/zinc/21/67/55/910216755.db2.gz SFAFSQVNGVNLBS-CYBMUJFWSA-N 0 3 298.383 -0.123 20 30 CBEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@H]1CCNC1=O ZINC001437123204 910555923 /nfs/dbraw/zinc/55/59/23/910555923.db2.gz KUMSXWMNDHOLER-WPRPVWTQSA-N 0 3 275.312 -0.517 20 30 CBEDHN C=CCOCCN1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001506650105 921601984 /nfs/dbraw/zinc/60/19/84/921601984.db2.gz MMDUUUCTJKNOQI-VIFPVBQESA-N 0 3 255.318 -0.889 20 30 CBEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001506654081 921602016 /nfs/dbraw/zinc/60/20/16/921602016.db2.gz YSLMXGSNTLRYCW-JQWIXIFHSA-N 0 3 296.371 -0.693 20 30 CBEDHN CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)C#N ZINC001437832085 910759852 /nfs/dbraw/zinc/75/98/52/910759852.db2.gz VTKOVYHATFILTP-VHSXEESVSA-N 0 3 297.359 -0.572 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC001506779685 921615944 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CC[C@H](NC[C@H](C)NC(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001439209355 911144935 /nfs/dbraw/zinc/14/49/35/911144935.db2.gz LJUKUQUKPRUGJD-KWQFWETISA-N 0 3 277.328 -0.142 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)C1CCOCC1 ZINC001507042507 921659700 /nfs/dbraw/zinc/65/97/00/921659700.db2.gz HOWBSWDENDOKOE-GFCCVEGCSA-N 0 3 295.383 -0.401 20 30 CBEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001440278118 911421453 /nfs/dbraw/zinc/42/14/53/911421453.db2.gz OTQAEIGTSOOVSW-AOOOYVTPSA-N 0 3 284.751 -0.090 20 30 CBEDHN CO[C@@H](C)C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001507051718 921662077 /nfs/dbraw/zinc/66/20/77/921662077.db2.gz HFHBIAUYWINWIW-ZJUUUORDSA-N 0 3 270.333 -0.902 20 30 CBEDHN CC(C)C#CC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001507078596 921671102 /nfs/dbraw/zinc/67/11/02/921671102.db2.gz ZERVWNIOCSZHJT-WDEREUQCSA-N 0 3 253.346 -0.044 20 30 CBEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C(C)(C)C(N)=O ZINC001507087847 921671523 /nfs/dbraw/zinc/67/15/23/921671523.db2.gz ZADGDRFNKPUCNZ-NSHDSACASA-N 0 3 283.372 -0.416 20 30 CBEDHN C[C@@H](CN(C)C(=O)C#CC1CC1)N[C@@H]1CCNC1=O ZINC001507078716 921671643 /nfs/dbraw/zinc/67/16/43/921671643.db2.gz ZMXBVXXIGCCXAN-CMPLNLGQSA-N 0 3 263.341 -0.275 20 30 CBEDHN CC(C)C#CC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001507078595 921671808 /nfs/dbraw/zinc/67/18/08/921671808.db2.gz ZERVWNIOCSZHJT-QWRGUYRKSA-N 0 3 253.346 -0.044 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1ccns1 ZINC001507081050 921672935 /nfs/dbraw/zinc/67/29/35/921672935.db2.gz OMTDHMKWPKSMCT-SNVBAGLBSA-N 0 3 294.380 -0.057 20 30 CBEDHN C[C@H](CN(C)C(=O)C#CC1CC1)N[C@@H]1CCNC1=O ZINC001507078721 921672972 /nfs/dbraw/zinc/67/29/72/921672972.db2.gz ZMXBVXXIGCCXAN-ZYHUDNBSSA-N 0 3 263.341 -0.275 20 30 CBEDHN C[C@H](C#N)C(=O)N(C)C[C@H](C)NCC(=O)N1CCOCC1 ZINC001441491446 911684637 /nfs/dbraw/zinc/68/46/37/911684637.db2.gz BPIXDSZLIHUXDA-NEPJUHHUSA-N 0 3 296.371 -0.559 20 30 CBEDHN C#Cc1cncc(C(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O)c1 ZINC001507121109 921684799 /nfs/dbraw/zinc/68/47/99/921684799.db2.gz 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/nfs/dbraw/zinc/96/33/62/612963362.db2.gz VALXNGGTGDOVMV-QWHCGFSZSA-N 0 3 293.367 -0.695 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC000969429386 612963689 /nfs/dbraw/zinc/96/36/89/612963689.db2.gz OQXYENZRJAYETK-QWHCGFSZSA-N 0 3 287.367 -0.027 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 ZINC000969145901 612963742 /nfs/dbraw/zinc/96/37/42/612963742.db2.gz UHRVBNIQNGCFQO-CHWSQXEVSA-N 0 3 265.357 -0.469 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000970608041 612963817 /nfs/dbraw/zinc/96/38/17/612963817.db2.gz KKXJHQQSPIVUNY-CHWSQXEVSA-N 0 3 279.340 -0.943 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1 ZINC000968667097 612967037 /nfs/dbraw/zinc/96/70/37/612967037.db2.gz KVLCPVYCYVKSHU-LLVKDONJSA-N 0 3 273.340 -0.020 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2cnc(OC)nc2)C1 ZINC000970397502 612967176 /nfs/dbraw/zinc/96/71/76/612967176.db2.gz HINFQFFQLZHBDR-LLVKDONJSA-N 0 3 260.297 -0.078 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC000969292735 612967194 /nfs/dbraw/zinc/96/71/94/612967194.db2.gz KCGNYHPNVSRRQK-LLVKDONJSA-N 0 3 259.309 -0.177 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC000970261304 612967282 /nfs/dbraw/zinc/96/72/82/612967282.db2.gz BNSIMHAXDXSJEZ-LLVKDONJSA-N 0 3 299.334 -0.232 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000969054550 612967889 /nfs/dbraw/zinc/96/78/89/612967889.db2.gz UEBXBNBICNBODA-LLVKDONJSA-N 0 3 274.324 -0.176 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000970670638 612968186 /nfs/dbraw/zinc/96/81/86/612968186.db2.gz LEGBWFOLZRQGBB-SECBINFHSA-N 0 3 273.296 -0.987 20 30 CBEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969878364 612994684 /nfs/dbraw/zinc/99/46/84/612994684.db2.gz QLBCMYFJNWTGGT-LLVKDONJSA-N 0 3 288.351 -0.146 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCNC2=O)C1 ZINC000970269961 612996989 /nfs/dbraw/zinc/99/69/89/612996989.db2.gz FBYJUPRXJPSOPB-JQWIXIFHSA-N 0 3 263.341 -0.418 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000969409983 612996998 /nfs/dbraw/zinc/99/69/98/612996998.db2.gz NCHLIJWUFRNOTA-CMPLNLGQSA-N 0 3 263.341 -0.275 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970343347 612997052 /nfs/dbraw/zinc/99/70/52/612997052.db2.gz JUQOCLWRCOUGHF-JTQLQIEISA-N 0 3 274.324 -0.157 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969616696 612998565 /nfs/dbraw/zinc/99/85/65/612998565.db2.gz NPRRTBPUXVITOT-JTQLQIEISA-N 0 3 261.329 -0.112 20 30 CBEDHN C#CCCN1CCCN(C(=O)CN2CCOCC2=O)CC1 ZINC000981345255 613002353 /nfs/dbraw/zinc/00/23/53/613002353.db2.gz QALYQTMPZYRBTJ-UHFFFAOYSA-N 0 3 293.367 -0.597 20 30 CBEDHN C#CCCN1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981014727 613005027 /nfs/dbraw/zinc/00/50/27/613005027.db2.gz SJFMQCFLRDFXNF-CQSZACIVSA-N 0 3 279.384 -0.125 20 30 CBEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000964966593 613015202 /nfs/dbraw/zinc/01/52/02/613015202.db2.gz PPGDGKUBMJSMFR-VXGBXAGGSA-N 0 3 276.344 -0.477 20 30 CBEDHN C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168228 613034203 /nfs/dbraw/zinc/03/42/03/613034203.db2.gz UKQCJROXCLKPAR-CMPLNLGQSA-N 0 3 290.323 -0.772 20 30 CBEDHN C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168228 613034204 /nfs/dbraw/zinc/03/42/04/613034204.db2.gz UKQCJROXCLKPAR-CMPLNLGQSA-N 0 3 290.323 -0.772 20 30 CBEDHN C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 ZINC000958296192 613034230 /nfs/dbraw/zinc/03/42/30/613034230.db2.gz CUJXCKKXKAKTQK-WDEREUQCSA-N 0 3 263.297 -0.280 20 30 CBEDHN C#CCCN1C[C@H](O)[C@@H](CNC(=O)c2snnc2C)C1 ZINC000957874747 613036843 /nfs/dbraw/zinc/03/68/43/613036843.db2.gz RRTALQGTSQMWJN-QWRGUYRKSA-N 0 3 294.380 -0.108 20 30 CBEDHN C#CCN1CC(N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000941585681 613115019 /nfs/dbraw/zinc/11/50/19/613115019.db2.gz OOBYDGVPPQPITP-UHFFFAOYSA-N 0 3 287.367 -0.586 20 30 CBEDHN C#CCN1CC(N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000941345304 613115597 /nfs/dbraw/zinc/11/55/97/613115597.db2.gz RIAILJPJCOZVHK-OAHLLOKOSA-N 0 3 290.411 -0.458 20 30 CBEDHN C#Cc1ccc(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)cn1 ZINC000970518949 613172984 /nfs/dbraw/zinc/17/29/84/613172984.db2.gz AMIUBBBCBBARSI-GXFFZTMASA-N 0 3 286.335 -0.259 20 30 CBEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cn1 ZINC000958602993 613180265 /nfs/dbraw/zinc/18/02/65/613180265.db2.gz ORPQVGYHXWJFKW-TZMCWYRMSA-N 0 3 289.335 -0.922 20 30 CBEDHN C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)cn1 ZINC000962325404 613192384 /nfs/dbraw/zinc/19/23/84/613192384.db2.gz JJROSXOCMDQAMX-WDNDVIMCSA-N 0 3 271.320 -0.285 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C[C@H]1C ZINC000947663236 613231208 /nfs/dbraw/zinc/23/12/08/613231208.db2.gz RVYFFWCIJCBMKA-GHMZBOCLSA-N 0 3 274.324 -0.014 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](C)C1 ZINC000942587907 613231287 /nfs/dbraw/zinc/23/12/87/613231287.db2.gz GYBUVRGARQEITD-WDEREUQCSA-N 0 3 274.324 -0.157 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C[C@H]1C ZINC000948078704 613239967 /nfs/dbraw/zinc/23/99/67/613239967.db2.gz NFPLDEBJSNHJDR-VXGBXAGGSA-N 0 3 290.367 -0.060 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](C)C1 ZINC000941997483 613257559 /nfs/dbraw/zinc/25/75/59/613257559.db2.gz VPYPOENIUNEFKB-FZMZJTMJSA-N 0 3 277.368 -0.076 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC000947819162 613258336 /nfs/dbraw/zinc/25/83/36/613258336.db2.gz CMTUIZBTDRHOPV-MNOVXSKESA-N 0 3 292.339 -0.860 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)Cn2cncn2)[C@H](C)C1 ZINC000944657049 613261856 /nfs/dbraw/zinc/26/18/56/613261856.db2.gz WVIPMYAWNDSEMP-NEPJUHHUSA-N 0 3 261.329 -0.262 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000941788040 613262048 /nfs/dbraw/zinc/26/20/48/613262048.db2.gz BDWYKOMWFXEXLJ-MNOVXSKESA-N 0 3 262.317 -0.867 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)Cn2nccn2)[C@@H](C)C1 ZINC000942085113 613262759 /nfs/dbraw/zinc/26/27/59/613262759.db2.gz YUBBKCGDBLSYOV-RYUDHWBXSA-N 0 3 261.329 -0.262 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](C)C1 ZINC000944632994 613267645 /nfs/dbraw/zinc/26/76/45/613267645.db2.gz DHJBUMYZDXQSGM-RYUDHWBXSA-N 0 3 288.351 -0.146 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC000942527252 613273418 /nfs/dbraw/zinc/27/34/18/613273418.db2.gz JVALIQSNSCQSDD-NEPJUHHUSA-N 0 3 288.351 -0.146 20 30 CBEDHN C#CCN1C[C@]2(C)CN(C(=O)CC(N)=O)C[C@]2(C)C1 ZINC000982240733 613292584 /nfs/dbraw/zinc/29/25/84/613292584.db2.gz UKZXFEXGLDVZHL-OKILXGFUSA-N 0 3 263.341 -0.335 20 30 CBEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982432542 613293072 /nfs/dbraw/zinc/29/30/72/613293072.db2.gz OIUCFXRXJVNATG-WQVCFCJDSA-N 0 3 289.379 -0.074 20 30 CBEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC000982496837 613293203 /nfs/dbraw/zinc/29/32/03/613293203.db2.gz NKPJKQVMNKNZKD-TUKIKUTGSA-N 0 3 290.367 -0.529 20 30 CBEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@]2(C)C1 ZINC000982555604 613293596 /nfs/dbraw/zinc/29/35/96/613293596.db2.gz BURDFEQVCKOFOF-KOZAUXTDSA-N 0 3 289.379 -0.089 20 30 CBEDHN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC000958219793 613295798 /nfs/dbraw/zinc/29/57/98/613295798.db2.gz NWJVHSCVSJVFGE-ZFWWWQNUSA-N 0 3 298.346 -0.010 20 30 CBEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000970355681 613299018 /nfs/dbraw/zinc/29/90/18/613299018.db2.gz AABWZAXQSTYKAY-KOLCDFICSA-N 0 3 266.345 -0.320 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CC)C3)[C@@H]2C1 ZINC000978232735 613308715 /nfs/dbraw/zinc/30/87/15/613308715.db2.gz OMRDTMRWYVIXOS-XDQVBPFNSA-N 0 3 289.379 -0.218 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000978712453 613309379 /nfs/dbraw/zinc/30/93/79/613309379.db2.gz VHGKOKFGPQQWJY-ITGHMWBKSA-N 0 3 289.379 -0.185 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)o3)[C@@H]2C1 ZINC000978455896 613310428 /nfs/dbraw/zinc/31/04/28/613310428.db2.gz RJBQQDJIIFYFSC-RTCCRHLQSA-N 0 3 287.319 -0.081 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccn(C)n3)[C@@H]2C1 ZINC000979087419 613311547 /nfs/dbraw/zinc/31/15/47/613311547.db2.gz PVLPOPCWGFEHEW-CNDDSTCGSA-N 0 3 258.325 -0.039 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cn(CC)nn3)[C@@H]2C1 ZINC000978888643 613311680 /nfs/dbraw/zinc/31/16/80/613311680.db2.gz FHBZEOKTLUNLIT-CNDDSTCGSA-N 0 3 273.340 -0.161 20 30 CBEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC000958025169 613339382 /nfs/dbraw/zinc/33/93/82/613339382.db2.gz OCUYFQYFRQZTSD-WCQYABFASA-N 0 3 293.371 -0.103 20 30 CBEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036710 613339532 /nfs/dbraw/zinc/33/95/32/613339532.db2.gz SQMIWRRMNSJISC-CMPLNLGQSA-N 0 3 279.344 -0.586 20 30 CBEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC000958503057 613339872 /nfs/dbraw/zinc/33/98/72/613339872.db2.gz NVEUZQUJDSXVLF-MWLCHTKSSA-N 0 3 266.301 -0.332 20 30 CBEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000957997527 613340070 /nfs/dbraw/zinc/34/00/70/613340070.db2.gz ZJMIFNPAFPQFAK-ZYHUDNBSSA-N 0 3 293.371 -0.399 20 30 CBEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025253 613341066 /nfs/dbraw/zinc/34/10/66/613341066.db2.gz PHTSXEAOGSVYSY-QWRGUYRKSA-N 0 3 279.344 -0.586 20 30 CBEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2nonc2C)C1 ZINC000958748513 613341171 /nfs/dbraw/zinc/34/11/71/613341171.db2.gz OCTNAORVOKDKHJ-QWRGUYRKSA-N 0 3 280.328 -0.023 20 30 CBEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958036396 613342950 /nfs/dbraw/zinc/34/29/50/613342950.db2.gz OEQYEPLDUIZBFI-PWSUYJOCSA-N 0 3 279.344 -0.586 20 30 CBEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477037 613343112 /nfs/dbraw/zinc/34/31/12/613343112.db2.gz TVZOJCOKAXTOCW-PWSUYJOCSA-N 0 3 279.344 -0.586 20 30 CBEDHN C=CCCN1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC000949458815 613513241 /nfs/dbraw/zinc/51/32/41/613513241.db2.gz WHLACXGJUDIBJS-UHFFFAOYSA-N 0 3 281.356 -0.259 20 30 CBEDHN 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ZINC001133593176 814274910 /nfs/dbraw/zinc/27/49/10/814274910.db2.gz RQGVNLUSEJSMAT-UHFFFAOYSA-N 0 3 286.335 -0.339 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1occc1C ZINC001133587099 814275720 /nfs/dbraw/zinc/27/57/20/814275720.db2.gz PPXXRHQJCCAZLY-LBPRGKRZSA-N 0 3 291.351 -0.026 20 30 CBEDHN C#Cc1cncc(C(=O)NCCN[C@H]2CCCNC2=O)c1 ZINC001133592992 814275936 /nfs/dbraw/zinc/27/59/36/814275936.db2.gz JDZCSDOLIREQLX-ZDUSSCGKSA-N 0 3 286.335 -0.339 20 30 CBEDHN COCC#CCNCCNC(=O)COC[C@H]1CCOC1 ZINC001134640875 814403219 /nfs/dbraw/zinc/40/32/19/814403219.db2.gz ODEJWEXOFSSPAG-ZDUSSCGKSA-N 0 3 284.356 -0.605 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)c1cc(CC)on1 ZINC001148321712 814937871 /nfs/dbraw/zinc/93/78/71/814937871.db2.gz GEJLYLPQJPOGCS-UHFFFAOYSA-N 0 3 278.312 -0.694 20 30 CBEDHN CC#CCNCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644972 814403421 /nfs/dbraw/zinc/40/34/21/814403421.db2.gz XECZMVOAYCZMDP-LLVKDONJSA-N 0 3 272.370 -0.460 20 30 CBEDHN CC(=O)N[C@@H](CS)C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001144409134 814776143 /nfs/dbraw/zinc/77/61/43/814776143.db2.gz HOVWBEUXEQKMQL-SDDRHHMPSA-N 0 3 285.413 -0.027 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)on1 ZINC001148315983 814938537 /nfs/dbraw/zinc/93/85/37/814938537.db2.gz FGUXTCGAGJOOGI-JTQLQIEISA-N 0 3 292.339 -0.306 20 30 CBEDHN C#Cc1ccc(C(=O)NCCNCC(=O)NC(C)C)cn1 ZINC001148383117 814940862 /nfs/dbraw/zinc/94/08/62/814940862.db2.gz SWYKHPHVYWVIEE-UHFFFAOYSA-N 0 3 288.351 -0.093 20 30 CBEDHN C#Cc1ccc(C(=O)NCCN[C@@H](CC)C(N)=O)nc1 ZINC001148376891 814940985 /nfs/dbraw/zinc/94/09/85/814940985.db2.gz OUDACNZUEXHRNL-NSHDSACASA-N 0 3 274.324 -0.354 20 30 CBEDHN C#Cc1ccc(C(=O)NCCNCC(=O)NCC)nc1 ZINC001148370240 814941402 /nfs/dbraw/zinc/94/14/02/814941402.db2.gz PFYDEFSUDSNHLE-UHFFFAOYSA-N 0 3 274.324 -0.482 20 30 CBEDHN C#Cc1ccc(C(=O)NCCNCC(=O)NCC#N)nc1 ZINC001148370301 814941885 /nfs/dbraw/zinc/94/18/85/814941885.db2.gz RNUOFIKQDBPEAV-UHFFFAOYSA-N 0 3 285.307 -0.978 20 30 CBEDHN C[C@@H](CC(=O)NCCNCC(=O)NCC#N)n1cccc1 ZINC001148390026 814942269 /nfs/dbraw/zinc/94/22/69/814942269.db2.gz ZYCXDCTYHOESGO-LBPRGKRZSA-N 0 3 291.355 -0.215 20 30 CBEDHN C#CCNCCNC(=O)[C@H](CC(C)C)NC(C)=O ZINC001148472333 814947103 /nfs/dbraw/zinc/94/71/03/814947103.db2.gz HKBHBENGRXWENS-LBPRGKRZSA-N 0 3 253.346 -0.124 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)c1ccc(Cl)cn1 ZINC001148512083 814947383 /nfs/dbraw/zinc/94/73/83/814947383.db2.gz PXFPTMOFVPGSOS-UHFFFAOYSA-N 0 3 294.742 -0.196 20 30 CBEDHN CC[C@@H](OC)C(=O)N[C@H](C)CNCC(=O)NCC#N ZINC001321468333 803770630 /nfs/dbraw/zinc/77/06/30/803770630.db2.gz KRFBHWCDYLROGP-NXEZZACHSA-N 0 3 270.333 -0.855 20 30 CBEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)CSC ZINC001321479606 803771932 /nfs/dbraw/zinc/77/19/32/803771932.db2.gz SWNKEDDOABFAGF-GHMZBOCLSA-N 0 3 285.413 -0.171 20 30 CBEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001321500902 803775814 /nfs/dbraw/zinc/77/58/14/803775814.db2.gz YIUZUYDAZYZZLQ-GRYCIOLGSA-N 0 3 283.372 -0.765 20 30 CBEDHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C#CC(C)(C)C ZINC001321514467 803777916 /nfs/dbraw/zinc/77/79/16/803777916.db2.gz VXAQAZBMFOIJFS-SECBINFHSA-N 0 3 282.344 -0.675 20 30 CBEDHN CC(C)C#CC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001321512477 803778608 /nfs/dbraw/zinc/77/86/08/803778608.db2.gz ZKVLVGUVKSXUMX-GHMZBOCLSA-N 0 3 279.340 -0.455 20 30 CBEDHN CC[C@@H](NC[C@@H](C)NC(=O)C#CC1CC1)C(N)=O ZINC001321510605 803778750 /nfs/dbraw/zinc/77/87/50/803778750.db2.gz GPWMHMSPUHXTLE-MWLCHTKSSA-N 0 3 251.330 -0.242 20 30 CBEDHN C#CCOCCC(=O)N[C@H](C)CNCc1n[nH]c(C)n1 ZINC001321514152 803778857 /nfs/dbraw/zinc/77/88/57/803778857.db2.gz NFGURBOMKDNJFS-SNVBAGLBSA-N 0 3 279.344 -0.253 20 30 CBEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)CCC(F)F ZINC001321588489 803787041 /nfs/dbraw/zinc/78/70/41/803787041.db2.gz KULRDTTWQUQSAL-MRVPVSSYSA-N 0 3 276.287 -0.234 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnco1 ZINC001321604810 803790026 /nfs/dbraw/zinc/79/00/26/803790026.db2.gz MMZJXAWYIQJCFY-NXEZZACHSA-N 0 3 278.312 -0.480 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccnnc1 ZINC001321655746 803797595 /nfs/dbraw/zinc/79/75/95/803797595.db2.gz ZSYITNOWWGRKQI-GHMZBOCLSA-N 0 3 289.339 -0.678 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC001149054074 814966464 /nfs/dbraw/zinc/96/64/64/814966464.db2.gz FVKWQADTAWEVHT-OLZOCXBDSA-N 0 3 295.383 -0.353 20 30 CBEDHN C=CCNC(=O)CNC[C@@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001321672548 803799245 /nfs/dbraw/zinc/79/92/45/803799245.db2.gz IGLNUVZPMXDBTM-SECBINFHSA-N 0 3 279.344 -0.272 20 30 CBEDHN C#Cc1ccc(C(=O)N[C@H](C)CN[C@@H]2CCNC2=O)cn1 ZINC001321713366 803805239 /nfs/dbraw/zinc/80/52/39/803805239.db2.gz NKODYKQAONZBMX-ZWNOBZJWSA-N 0 3 286.335 -0.341 20 30 CBEDHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC#CCOC ZINC001149095272 814967735 /nfs/dbraw/zinc/96/77/35/814967735.db2.gz YNPBJSIMRGOVKY-LLVKDONJSA-N 0 3 284.360 -0.821 20 30 CBEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)c1ccc(C)nc1 ZINC001321790521 803814279 /nfs/dbraw/zinc/81/42/79/803814279.db2.gz VCIOYBICQDXJFV-LBPRGKRZSA-N 0 3 288.351 -0.153 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001321814236 803820019 /nfs/dbraw/zinc/82/00/19/803820019.db2.gz NVZRRQXIWISYAN-VHSXEESVSA-N 0 3 291.355 -0.436 20 30 CBEDHN C=C(C)CCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001321861311 803829908 /nfs/dbraw/zinc/82/99/08/803829908.db2.gz YKMXFKCFGHZELC-JTQLQIEISA-N 0 3 284.360 -0.107 20 30 CBEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149123076 814970680 /nfs/dbraw/zinc/97/06/80/814970680.db2.gz BELRVGRRVWGKMY-LLVKDONJSA-N 0 3 284.360 -0.562 20 30 CBEDHN COCC#CCNCCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001149114293 814970971 /nfs/dbraw/zinc/97/09/71/814970971.db2.gz ZMISTIFWJKJFEM-CYBMUJFWSA-N 0 3 295.383 -0.209 20 30 CBEDHN C#CCNC(=O)CNC[C@H](C)NC(=O)CCn1cccc1 ZINC001322033675 803853058 /nfs/dbraw/zinc/85/30/58/803853058.db2.gz XJORLSLONAFNJD-ZDUSSCGKSA-N 0 3 290.367 -0.278 20 30 CBEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cc[nH]n2)CC1 ZINC001322595917 803917351 /nfs/dbraw/zinc/91/73/51/803917351.db2.gz GDHGKBXTRZLDMA-UHFFFAOYSA-N 0 3 291.355 -0.208 20 30 CBEDHN C=CCN1CCC(NC(=O)C(=O)N(C)CCO)CC1 ZINC001322608242 803919031 /nfs/dbraw/zinc/91/90/31/803919031.db2.gz SKERWTLSOIHTMM-UHFFFAOYSA-N 0 3 269.345 -0.796 20 30 CBEDHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)CSCC#N)C1CC1 ZINC001322960040 803958485 /nfs/dbraw/zinc/95/84/85/803958485.db2.gz PIQGTSLCKKYMHE-KOLCDFICSA-N 0 3 298.412 -0.138 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001323079316 803975188 /nfs/dbraw/zinc/97/51/88/803975188.db2.gz ZMFLSWQQAXARBM-WOPDTQHZSA-N 0 3 281.356 -0.453 20 30 CBEDHN C=CCCN1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001323181851 803985328 /nfs/dbraw/zinc/98/53/28/803985328.db2.gz MPYBMBNIWPNRRQ-JTQLQIEISA-N 0 3 250.306 -0.560 20 30 CBEDHN C[C@H](NC(=O)NCC(=O)NCC#N)C1=CCN(C)CC1 ZINC001323373700 804017469 /nfs/dbraw/zinc/01/74/69/804017469.db2.gz OVEIXNJHQRGDMI-JTQLQIEISA-N 0 3 279.344 -0.424 20 30 CBEDHN C#CCNC1(CNC(=O)C[C@H]2COC(=O)C2)CC1 ZINC001323423839 804026876 /nfs/dbraw/zinc/02/68/76/804026876.db2.gz LGAHIYQLQIMIPJ-SNVBAGLBSA-N 0 3 250.298 -0.189 20 30 CBEDHN COCC#CCNC1(CNC(=O)c2ncc[nH]2)CC1 ZINC001323438243 804027804 /nfs/dbraw/zinc/02/78/04/804027804.db2.gz YUBTVRDGIOBTEK-UHFFFAOYSA-N 0 3 262.313 -0.089 20 30 CBEDHN CC#CCNC1(CNC(=O)CN(C)C(=O)COC)CC1 ZINC001323456577 804030704 /nfs/dbraw/zinc/03/07/04/804030704.db2.gz LBLHGLLVLLHWAY-UHFFFAOYSA-N 0 3 281.356 -0.647 20 30 CBEDHN C#CCNC1(CNC(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC001323502147 804033526 /nfs/dbraw/zinc/03/35/26/804033526.db2.gz QPZFRXSBPAOTFP-LBPRGKRZSA-N 0 3 276.340 -0.021 20 30 CBEDHN C#CCNC1(CNC(=O)CCC(=O)N2CCOCC2)CC1 ZINC001323606200 804049656 /nfs/dbraw/zinc/04/96/56/804049656.db2.gz BNUMVEDMGSQRNR-UHFFFAOYSA-N 0 3 293.367 -0.503 20 30 CBEDHN CC#CCNC1(CNC(=O)Cc2nc3ncccn3n2)CC1 ZINC001323613938 804051233 /nfs/dbraw/zinc/05/12/33/804051233.db2.gz OMNIXGPNGUDIDB-UHFFFAOYSA-N 0 3 298.350 -0.072 20 30 CBEDHN C[C@H](C#N)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149413999 814988238 /nfs/dbraw/zinc/98/82/38/814988238.db2.gz CBIUARHOTQVEGO-MNOVXSKESA-N 0 3 255.318 -0.655 20 30 CBEDHN CC#CCN(CCOC)C1CCN(C(=O)CC(N)=O)CC1 ZINC001323746083 804064691 /nfs/dbraw/zinc/06/46/91/804064691.db2.gz IJRIQNUBZOCMMP-UHFFFAOYSA-N 0 3 295.383 -0.176 20 30 CBEDHN C=C[C@H](COC)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC001323821079 804070105 /nfs/dbraw/zinc/07/01/05/804070105.db2.gz ZXQHTIXLTVCELC-GFCCVEGCSA-N 0 3 283.372 -0.142 20 30 CBEDHN C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1ccc[nH]1 ZINC001324115940 804107793 /nfs/dbraw/zinc/10/77/93/804107793.db2.gz UIERIWHCFCKYRL-LBPRGKRZSA-N 0 3 288.351 -0.042 20 30 CBEDHN C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)COCC ZINC001324115944 804107927 /nfs/dbraw/zinc/10/79/27/804107927.db2.gz UIYLBVWRHODNHY-LBPRGKRZSA-N 0 3 281.356 -0.647 20 30 CBEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001324205823 804120467 /nfs/dbraw/zinc/12/04/67/804120467.db2.gz DWOJVGXZWMTBFM-JTQLQIEISA-N 0 3 296.371 -0.026 20 30 CBEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC001324297183 804134473 /nfs/dbraw/zinc/13/44/73/804134473.db2.gz ACGPEWZUJRDIMZ-VIFPVBQESA-N 0 3 275.312 -0.042 20 30 CBEDHN CC#CCNCCNC(=O)c1cccc(C(=O)NC)n1 ZINC001149469976 814995705 /nfs/dbraw/zinc/99/57/05/814995705.db2.gz NFTSFVORXMYIQB-UHFFFAOYSA-N 0 3 274.324 -0.216 20 30 CBEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001324609534 804176789 /nfs/dbraw/zinc/17/67/89/804176789.db2.gz XDWLWTGUMWVCPN-FZMZJTMJSA-N 0 3 297.355 -0.122 20 30 CBEDHN C=CCNC(=O)CNC1(CNC(=O)COC)CCOCC1 ZINC001324984732 804218096 /nfs/dbraw/zinc/21/80/96/804218096.db2.gz ZMJKFWVWZUUMGB-UHFFFAOYSA-N 0 3 299.371 -0.810 20 30 CBEDHN C=CCN1CC[C@@](O)(CNC(=O)CNC(=O)CC)C1 ZINC001325070374 804231910 /nfs/dbraw/zinc/23/19/10/804231910.db2.gz MKEVMLOGEZUROY-CYBMUJFWSA-N 0 3 269.345 -0.748 20 30 CBEDHN CC#CCN1C[C@@H]2CN(C(=O)CC(=O)NCC)C[C@@H]2C1 ZINC001325734325 804311038 /nfs/dbraw/zinc/31/10/38/804311038.db2.gz AYZKLVFEALQGNC-BETUJISGSA-N 0 3 277.368 -0.074 20 30 CBEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]2C1 ZINC001325759950 804314078 /nfs/dbraw/zinc/31/40/78/804314078.db2.gz ASSNJQJNXURNPF-HZSPNIEDSA-N 0 3 277.368 -0.076 20 30 CBEDHN CNC(=O)CCCN(C)C(=O)[C@H](N)CCCC#N ZINC001325814052 804317740 /nfs/dbraw/zinc/31/77/40/804317740.db2.gz OCQZFLSTUKXBFA-SNVBAGLBSA-N 0 3 254.334 -0.008 20 30 CBEDHN CN(CCNC(=O)C(=O)NCCCC#N)C1CC1 ZINC001325822715 804319250 /nfs/dbraw/zinc/31/92/50/804319250.db2.gz JHSPIKMIMHTKCO-UHFFFAOYSA-N 0 3 252.318 -0.383 20 30 CBEDHN C#CCOCCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149727734 815008782 /nfs/dbraw/zinc/00/87/82/815008782.db2.gz OTJRJTFTKZMCQQ-CYBMUJFWSA-N 0 3 284.356 -0.774 20 30 CBEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2cnn(C)n2)C1 ZINC001325859743 804326674 /nfs/dbraw/zinc/32/66/74/804326674.db2.gz IQDOWOLIFQXVMX-AWEZNQCLSA-N 0 3 293.371 -0.052 20 30 CBEDHN C#CCOCCC(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001149721887 815008960 /nfs/dbraw/zinc/00/89/60/815008960.db2.gz UGPBMXJNCVNYQU-CQSZACIVSA-N 0 3 298.383 -0.120 20 30 CBEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](COC)OC)C1 ZINC001150283712 815025345 /nfs/dbraw/zinc/02/53/45/815025345.db2.gz WIFDXIKATXEXHX-UONOGXRCSA-N 0 3 298.383 -0.122 20 30 CBEDHN Cc1nc(C)c(C(=O)NCCNCC(=O)NCC#N)s1 ZINC001150377756 815026904 /nfs/dbraw/zinc/02/69/04/815026904.db2.gz ZTLNXSBWCPWFOD-UHFFFAOYSA-N 0 3 295.368 -0.281 20 30 CBEDHN C#CCCN1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699526 815040435 /nfs/dbraw/zinc/04/04/35/815040435.db2.gz KTILFAXPJPHABO-ZDUSSCGKSA-N 0 3 291.355 -0.492 20 30 CBEDHN C#CCNCCNC(=O)C(=O)Nc1cc(C)on1 ZINC001150963710 815049175 /nfs/dbraw/zinc/04/91/75/815049175.db2.gz UGXULDJKUIQBPL-UHFFFAOYSA-N 0 3 250.258 -0.739 20 30 CBEDHN C#CC[NH2+]CCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001150977978 815049394 /nfs/dbraw/zinc/04/93/94/815049394.db2.gz MXMYNJYAFPGSAH-UHFFFAOYSA-N 0 3 262.313 -0.319 20 30 CBEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070158629 805174986 /nfs/dbraw/zinc/17/49/86/805174986.db2.gz SOWSELFFUZKYPP-UPJWGTAASA-N 0 3 291.355 -0.158 20 30 CBEDHN 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C=C[C@](C)(CC)C(=O)NCCNCC(=O)NCC#N ZINC001133378368 814248279 /nfs/dbraw/zinc/24/82/79/814248279.db2.gz DNNBFAODLKLQFO-CYBMUJFWSA-N 0 3 266.345 -0.066 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)CC(C)(F)F ZINC001133430556 814253776 /nfs/dbraw/zinc/25/37/76/814253776.db2.gz XOXNVMZVLUVSDZ-VIFPVBQESA-N 0 3 275.299 -0.125 20 30 CBEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)c1n[nH]cc1F ZINC001133485191 814261014 /nfs/dbraw/zinc/26/10/14/814261014.db2.gz XQDKHRBMXWSBBZ-QMMMGPOBSA-N 0 3 283.307 -0.441 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001133523793 814269704 /nfs/dbraw/zinc/26/97/04/814269704.db2.gz GBLLDCLLNAMLNT-RYUDHWBXSA-N 0 3 281.356 -0.743 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001133523791 814269953 /nfs/dbraw/zinc/26/99/53/814269953.db2.gz GBLLDCLLNAMLNT-NEPJUHHUSA-N 0 3 281.356 -0.743 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001133528754 814271407 /nfs/dbraw/zinc/27/14/07/814271407.db2.gz LTMOLVRMPDRLNF-RYUDHWBXSA-N 0 3 283.372 -0.191 20 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CBEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@H]2OCC[C@H]2C)C1=O ZINC001134029069 814344415 /nfs/dbraw/zinc/34/44/15/814344415.db2.gz UGGWBOJILLZMRM-UPJWGTAASA-N 0 3 295.383 -0.096 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(CF)CCC1 ZINC001134058386 814345647 /nfs/dbraw/zinc/34/56/47/814345647.db2.gz LSMCLJUCAKGEPW-LLVKDONJSA-N 0 3 283.347 -0.030 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC ZINC001134052913 814346751 /nfs/dbraw/zinc/34/67/51/814346751.db2.gz FWOOYZRZHUBOMS-AXFHLTTASA-N 0 3 269.345 -0.582 20 30 CBEDHN CC#CCNCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098211 814351227 /nfs/dbraw/zinc/35/12/27/814351227.db2.gz AJXLCCPAONRQGU-LLVKDONJSA-N 0 3 276.344 -0.645 20 30 CBEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001134129234 814356331 /nfs/dbraw/zinc/35/63/31/814356331.db2.gz DNGQFVUZYKHSKD-GHMZBOCLSA-N 0 3 290.323 -0.271 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178578 814361247 /nfs/dbraw/zinc/36/12/47/814361247.db2.gz NKRHBKXAJXQFTF-ZYHUDNBSSA-N 0 3 298.387 -0.702 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)[C@H]1CC12CC2 ZINC001134305145 814371516 /nfs/dbraw/zinc/37/15/16/814371516.db2.gz JKYLKZBQCZRRQW-SNVBAGLBSA-N 0 3 251.330 -0.206 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC12CC2 ZINC001134323057 814373982 /nfs/dbraw/zinc/37/39/82/814373982.db2.gz BVIZMTZHXZBJMQ-WDEREUQCSA-N 0 3 263.341 -0.370 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC12CC2 ZINC001134323055 814374253 /nfs/dbraw/zinc/37/42/53/814374253.db2.gz BVIZMTZHXZBJMQ-QWRGUYRKSA-N 0 3 263.341 -0.370 20 30 CBEDHN C#CCNCCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001134370716 814378000 /nfs/dbraw/zinc/37/80/00/814378000.db2.gz XAOZONNNHCPZLT-UHFFFAOYSA-N 0 3 271.320 -0.085 20 30 CBEDHN COCC#CCNCCNC(=O)Cn1nccc1C ZINC001134513565 814392762 /nfs/dbraw/zinc/39/27/62/814392762.db2.gz XGIDIPBPPOYXKG-UHFFFAOYSA-N 0 3 264.329 -0.453 20 30 CBEDHN CC#CCNCCNC(=O)Cn1ccc(C)cc1=O ZINC001134544049 814395418 /nfs/dbraw/zinc/39/54/18/814395418.db2.gz QCDRNKWXQQVDPM-UHFFFAOYSA-N 0 3 261.325 -0.114 20 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30 CBEDHN N#CCNC(=O)CNCCNC(=O)Cc1cscn1 ZINC001134856971 814419986 /nfs/dbraw/zinc/41/99/86/814419986.db2.gz TYTAVKZZSICLAS-UHFFFAOYSA-N 0 3 281.341 -0.969 20 30 CBEDHN C#CCOc1ccc(C(=O)NCCN[C@@H](C)C(N)=O)cc1 ZINC001134950250 814427991 /nfs/dbraw/zinc/42/79/91/814427991.db2.gz GAQFXGFBYMZBAD-NSHDSACASA-N 0 3 289.335 -0.108 20 30 CBEDHN C#CCOc1ccc(C(=O)NCCNCC(=O)NC)cc1 ZINC001134950261 814428163 /nfs/dbraw/zinc/42/81/63/814428163.db2.gz GPMTYDDDPPHTQP-UHFFFAOYSA-N 0 3 289.335 -0.236 20 30 CBEDHN CC#CCNCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977284 814429253 /nfs/dbraw/zinc/42/92/53/814429253.db2.gz LFNQSBJVSKHPPA-NSHDSACASA-N 0 3 289.401 -0.711 20 30 CBEDHN C=CCn1cc(C(=O)NCCNCC(=O)NC(C)C)nn1 ZINC001134983161 814429478 /nfs/dbraw/zinc/42/94/78/814429478.db2.gz JOXZRGZVFKMQHT-UHFFFAOYSA-N 0 3 294.359 -0.692 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)c1cn(CC=C)nn1 ZINC001134980252 814429956 /nfs/dbraw/zinc/42/99/56/814429956.db2.gz AYAAHGOUQBQOCH-UHFFFAOYSA-N 0 3 292.343 -0.914 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1nc(C)c[nH]1 ZINC001135061607 814432818 /nfs/dbraw/zinc/43/28/18/814432818.db2.gz WXRLDGGFSZZCFY-JTQLQIEISA-N 0 3 277.328 -0.825 20 30 CBEDHN C=CCCn1cc(C(=O)NCCN[C@H](C)C(N)=O)nn1 ZINC001135075376 814434496 /nfs/dbraw/zinc/43/44/96/814434496.db2.gz IEPZKQRKTIHRQN-SECBINFHSA-N 0 3 280.332 -0.953 20 30 CBEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001135145251 814440933 /nfs/dbraw/zinc/44/09/33/814440933.db2.gz DUNPYQMBXMWALR-SRVKXCTJSA-N 0 3 283.372 -0.063 20 30 CBEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001135147571 814441087 /nfs/dbraw/zinc/44/10/87/814441087.db2.gz MPMLBNPHQNWPMF-TUAOUCFPSA-N 0 3 281.356 -0.438 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135232260 814449649 /nfs/dbraw/zinc/44/96/49/814449649.db2.gz VUJGBSPAXCZFAW-GHMZBOCLSA-N 0 3 296.371 -0.948 20 30 CBEDHN CC#CCNCCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135298462 814460521 /nfs/dbraw/zinc/46/05/21/814460521.db2.gz QPGOJDVYYLWYIL-UHFFFAOYSA-N 0 3 287.323 -0.326 20 30 CBEDHN CC#CCNCCNC(=O)C(C)(C)N1CCOCC1 ZINC001135349832 814469255 /nfs/dbraw/zinc/46/92/55/814469255.db2.gz FOEWJXWIKYFDOK-UHFFFAOYSA-N 0 3 267.373 -0.174 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)c1c(C)n[nH]c1C ZINC001135425754 814474197 /nfs/dbraw/zinc/47/41/97/814474197.db2.gz NNCBZKDTWPTHKT-UHFFFAOYSA-N 0 3 277.328 -0.905 20 30 CBEDHN C#CCNC(=O)CNCCNC(=O)c1cnc(C)nc1C ZINC001135485419 814477672 /nfs/dbraw/zinc/47/76/72/814477672.db2.gz HPGRURZLBFTJEY-UHFFFAOYSA-N 0 3 289.339 -0.838 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(C)c1 ZINC001135573385 814494200 /nfs/dbraw/zinc/49/42/00/814494200.db2.gz BOHRXLHWIJKQMB-GFCCVEGCSA-N 0 3 288.351 -0.153 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(OC)o1 ZINC001135668287 814506570 /nfs/dbraw/zinc/50/65/70/814506570.db2.gz UBVUVEAVKFITMX-JTQLQIEISA-N 0 3 293.323 -0.255 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncccc1F ZINC001135731911 814515576 /nfs/dbraw/zinc/51/55/76/814515576.db2.gz WDZQBFNTRHZVNU-JTQLQIEISA-N 0 3 292.314 -0.322 20 30 CBEDHN COCC#CCNCCNC(=O)Cc1ncc[nH]1 ZINC001135754295 814518889 /nfs/dbraw/zinc/51/88/89/814518889.db2.gz ACGCKKNOZORIRY-UHFFFAOYSA-N 0 3 250.302 -0.692 20 30 CBEDHN CC#CCNCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000315 814544885 /nfs/dbraw/zinc/54/48/85/814544885.db2.gz CNANMBGKAOFNRH-LBPRGKRZSA-N 0 3 291.355 -0.343 20 30 CBEDHN CC#CCNCCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107214 814553302 /nfs/dbraw/zinc/55/33/02/814553302.db2.gz HZCPCFRRLMMQSP-UHFFFAOYSA-N 0 3 272.370 -0.317 20 30 CBEDHN C=C(CO)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001136524406 814563013 /nfs/dbraw/zinc/56/30/13/814563013.db2.gz BXBFWCQCOUZMAW-GFCCVEGCSA-N 0 3 281.356 -0.524 20 30 CBEDHN C=CCN1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001142140857 814695851 /nfs/dbraw/zinc/69/58/51/814695851.db2.gz DLYKWAWEOQAWGD-JTQLQIEISA-N 0 3 250.306 -0.560 20 30 CBEDHN CN1CCN(CCC(=O)N2CC(C)(C#N)C2)CC1 ZINC001143223919 814763566 /nfs/dbraw/zinc/76/35/66/814763566.db2.gz KRKMTGIVDPBBJA-UHFFFAOYSA-N 0 3 250.346 -0.004 20 30 CBEDHN CN1CCN(CCC(=O)Nc2c[nH]nc2C#N)CC1 ZINC001143225308 814763917 /nfs/dbraw/zinc/76/39/17/814763917.db2.gz YBEINIGLFUGEHR-UHFFFAOYSA-N 0 3 262.317 -0.143 20 30 CBEDHN COCCC(C)(C)C(=O)NCCNCC(=O)NCC#N ZINC001146222994 814779523 /nfs/dbraw/zinc/77/95/23/814779523.db2.gz PDDNWLFZYZJAQP-UHFFFAOYSA-N 0 3 284.360 -0.605 20 30 CBEDHN CC#CCNCCNC(=O)COCc1ncnn1C ZINC001146199783 814779628 /nfs/dbraw/zinc/77/96/28/814779628.db2.gz CKSIFUIGHRNWSU-UHFFFAOYSA-N 0 3 265.317 -0.939 20 30 CBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)CCOC ZINC001146244217 814779810 /nfs/dbraw/zinc/77/98/10/814779810.db2.gz MSVOULOIXWKLJW-LBPRGKRZSA-N 0 3 297.399 -0.107 20 30 CBEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CC12CCCC2 ZINC001146747114 814847032 /nfs/dbraw/zinc/84/70/32/814847032.db2.gz QVHDPNGILZMGFJ-NSHDSACASA-N 0 3 278.356 -0.088 20 30 CBEDHN C=CCNC(=O)CNCCNC(=O)c1nocc1C ZINC001146834078 814849135 /nfs/dbraw/zinc/84/91/35/814849135.db2.gz PNDGTVWVDAAXQU-UHFFFAOYSA-N 0 3 266.301 -0.395 20 30 CBEDHN 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826797358 /nfs/dbraw/zinc/79/73/58/826797358.db2.gz HCZWZKXBLBGNGL-GFCCVEGCSA-N 0 3 296.371 -0.950 20 30 CBEDHN CC#CCN1CC[C@@H]2CN(C(=O)CNC(=O)NC)C[C@@H]2C1 ZINC001264091355 826797481 /nfs/dbraw/zinc/79/74/81/826797481.db2.gz ZHUGBMAUTVLAJJ-OLZOCXBDSA-N 0 3 292.383 -0.281 20 30 CBEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001264080837 826797758 /nfs/dbraw/zinc/79/77/58/826797758.db2.gz XHZAFYUQCGTWMP-CYBMUJFWSA-N 0 3 293.371 -0.251 20 30 CBEDHN C#CCNC[C@@H]1C[C@H](C)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001264550449 826812392 /nfs/dbraw/zinc/81/23/92/826812392.db2.gz FBPCNKUIYZQQSJ-YPMHNXCESA-N 0 3 298.408 -0.119 20 30 CBEDHN C#CCN(C)CCOCCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001264666043 826815213 /nfs/dbraw/zinc/81/52/13/826815213.db2.gz BHWHHJKBVYAZFY-UHFFFAOYSA-N 0 3 294.355 -0.221 20 30 CBEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(CCCO)[C@@H]1C ZINC001264700997 826820426 /nfs/dbraw/zinc/82/04/26/826820426.db2.gz CKCNIHJBPPKSGX-AGIUHOORSA-N 0 3 268.357 -0.014 20 30 CBEDHN 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296.371 -0.109 20 30 CBEDHN C#CCNC(=O)CN[C@H](CNC(=O)c1ccon1)C1CC1 ZINC001265347222 826882234 /nfs/dbraw/zinc/88/22/34/826882234.db2.gz AYLKOSYZQJJPCK-GFCCVEGCSA-N 0 3 290.323 -0.478 20 30 CBEDHN CC[C@H](F)C(=O)NC[C@H](NCC(=O)NCC#N)C1CC1 ZINC001265366720 826886913 /nfs/dbraw/zinc/88/69/13/826886913.db2.gz SLSRFQLHEXBMNA-QWRGUYRKSA-N 0 3 284.335 -0.141 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC)C1 ZINC001265417208 826889339 /nfs/dbraw/zinc/88/93/39/826889339.db2.gz JIPOAAQMZUJHRR-MNOVXSKESA-N 0 3 251.330 -0.275 20 30 CBEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)SC)C1 ZINC001265419972 826890928 /nfs/dbraw/zinc/89/09/28/826890928.db2.gz SGVFFVNSDIYBPP-MNOVXSKESA-N 0 3 283.397 -0.322 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COCCC)C1 ZINC001265420622 826891491 /nfs/dbraw/zinc/89/14/91/826891491.db2.gz BFMWAXKWKKXQCV-OLZOCXBDSA-N 0 3 295.383 -0.259 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001265442704 826893014 /nfs/dbraw/zinc/89/30/14/826893014.db2.gz CCGFZHZBXDNUDX-RNJOBUHISA-N 0 3 277.368 -0.029 20 30 CBEDHN C#CCN1CCC[C@H](CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001265582250 826904608 /nfs/dbraw/zinc/90/46/08/826904608.db2.gz OARWRYLFYKJGAU-NWDGAFQWSA-N 0 3 280.372 -0.105 20 30 CBEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001265597136 826906238 /nfs/dbraw/zinc/90/62/38/826906238.db2.gz QXEMEFCVXYJBMI-RYUDHWBXSA-N 0 3 291.351 -0.499 20 30 CBEDHN C=CCOCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001265663529 826909523 /nfs/dbraw/zinc/90/95/23/826909523.db2.gz IULQLAJWIIVCTL-NSHDSACASA-N 0 3 269.345 -0.355 20 30 CBEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CC1 ZINC001265746047 826910592 /nfs/dbraw/zinc/91/05/92/826910592.db2.gz BPNOMTWPDKKTQD-ZJUUUORDSA-N 0 3 251.330 -0.371 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)c1cncs1 ZINC001265756538 826913021 /nfs/dbraw/zinc/91/30/21/826913021.db2.gz HRBIJZSPQORVJV-SECBINFHSA-N 0 3 280.353 -0.400 20 30 CBEDHN C[C@H](CNC(=O)[C@@H](C)C#N)NCC(=O)NC1CC1 ZINC001265759456 826914586 /nfs/dbraw/zinc/91/45/86/826914586.db2.gz VVDHGOXLFOKKQF-DTWKUNHWSA-N 0 3 252.318 -0.481 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)CC1CCOCC1 ZINC001265760620 826914799 /nfs/dbraw/zinc/91/47/99/826914799.db2.gz CXUTVRDLACSWGU-GFCCVEGCSA-N 0 3 295.383 -0.353 20 30 CBEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCOC1 ZINC001265761517 826915118 /nfs/dbraw/zinc/91/51/18/826915118.db2.gz WEQMASULDWXWDV-NWDGAFQWSA-N 0 3 281.356 -0.743 20 30 CBEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)c1n[nH]cc1C ZINC001265773265 826917825 /nfs/dbraw/zinc/91/78/25/826917825.db2.gz RXBQYLDVQWZLJF-JTQLQIEISA-N 0 3 277.328 -0.825 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC1(F)F ZINC001265788831 826918477 /nfs/dbraw/zinc/91/84/77/826918477.db2.gz USXOONBQGKHMFF-NXEZZACHSA-N 0 3 287.310 -0.125 20 30 CBEDHN CC#CCN[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001265796808 826920013 /nfs/dbraw/zinc/92/00/13/826920013.db2.gz ODQKCFRTCCVIAV-JTQLQIEISA-N 0 3 278.312 -0.934 20 30 CBEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](C)S(C)(=O)=O 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ZINC001331405995 886796791 /nfs/dbraw/zinc/79/67/91/886796791.db2.gz MQICXVUNFGZOEK-SECBINFHSA-N 0 3 270.333 -0.416 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)c1cc[nH]c(=O)c1 ZINC001331694139 886914211 /nfs/dbraw/zinc/91/42/11/886914211.db2.gz AIDQLPOPDBADHQ-SNVBAGLBSA-N 0 3 251.286 -0.347 20 30 CBEDHN CC(C)[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N ZINC001332579782 887364723 /nfs/dbraw/zinc/36/47/23/887364723.db2.gz UYMMNAYNOFIHBW-RYUDHWBXSA-N 0 3 298.387 -0.673 20 30 CBEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001332634606 887385289 /nfs/dbraw/zinc/38/52/89/887385289.db2.gz ZTQRDFLYRCMGEJ-LLVKDONJSA-N 0 3 280.328 -0.267 20 30 CBEDHN C=CCNC(=O)CN1CCN(C)CCN(C)CC1 ZINC001335244524 888462419 /nfs/dbraw/zinc/46/24/19/888462419.db2.gz QWUQGMJXQAXOIC-UHFFFAOYSA-N 0 3 254.378 -0.532 20 30 CBEDHN C#CCNC(=O)[C@H](C)N1CCN(C)CCN(C)CC1 ZINC001336446605 888765265 /nfs/dbraw/zinc/76/52/65/888765265.db2.gz TVRPAUFVCAOMGS-ZDUSSCGKSA-N 0 3 266.389 -0.697 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC001340736178 889475902 /nfs/dbraw/zinc/47/59/02/889475902.db2.gz SFODZLQQKLQBAC-GARJFASQSA-N 0 3 290.385 -0.402 20 30 CBEDHN COCCNC(=O)C(C#N)C(=O)CCCCC(N)=O ZINC001341820876 889668749 /nfs/dbraw/zinc/66/87/49/889668749.db2.gz KCWNTNQKPLJGJO-SECBINFHSA-N 0 3 269.301 -0.496 20 30 CBEDHN C#CCNC(=O)CCNCC(=O)N(CC)OCC ZINC001346376780 890280059 /nfs/dbraw/zinc/28/00/59/890280059.db2.gz ILGOHDHACIACLC-UHFFFAOYSA-N 0 3 255.318 -0.485 20 30 CBEDHN C#CC1(O)CN(C(=O)NC[C@H]2CCCCN2C)C1 ZINC001347042580 890392174 /nfs/dbraw/zinc/39/21/74/890392174.db2.gz LVRFHPCKLCVKCO-LLVKDONJSA-N 0 3 251.330 -0.140 20 30 CBEDHN C[C@H](C#N)C(=O)N[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001445928044 912781374 /nfs/dbraw/zinc/78/13/74/912781374.db2.gz ALMYVRSOHBLWMX-ZYHUDNBSSA-N 0 3 278.356 -0.137 20 30 CBEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001047527105 884628679 /nfs/dbraw/zinc/62/86/79/884628679.db2.gz XIQURRFWXLMFHK-HUBLWGQQSA-N 0 3 295.383 -0.408 20 30 CBEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001192940464 884732823 /nfs/dbraw/zinc/73/28/23/884732823.db2.gz LYJFCWFZTZXYJE-MGPQQGTHSA-N 0 3 298.383 -0.081 20 30 CBEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001192940654 884733492 /nfs/dbraw/zinc/73/34/92/884733492.db2.gz RGHGEJLGRWJKBO-YNEHKIRRSA-N 0 3 284.356 -0.471 20 30 CBEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(C)=O)C[C@H]1C ZINC001214014142 884779983 /nfs/dbraw/zinc/77/99/83/884779983.db2.gz FCXXOJZRNIEHIU-CKYFFXLPSA-N 0 3 251.330 -0.419 20 30 CBEDHN COCC#CCNC[C@H](O)CNC(=O)C[C@@H](C)OC ZINC001268297147 884814266 /nfs/dbraw/zinc/81/42/66/884814266.db2.gz FHBQDFQHFLMBHI-NEPJUHHUSA-N 0 3 272.345 -0.872 20 30 CBEDHN COCC#CCNCCN(CCO)C(=O)c1cc(C)n[nH]1 ZINC001325984058 884865195 /nfs/dbraw/zinc/86/51/95/884865195.db2.gz LRGARESSAPCAOB-UHFFFAOYSA-N 0 3 294.355 -0.608 20 30 CBEDHN CC(C)(C(N)=O)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC001326027840 884880129 /nfs/dbraw/zinc/88/01/29/884880129.db2.gz VDQSACFHCROZGK-LLVKDONJSA-N 0 3 295.387 -0.584 20 30 CBEDHN C#CCNCCN(CCO)C(=O)c1c(C)cnn1C ZINC001326075150 884897526 /nfs/dbraw/zinc/89/75/26/884897526.db2.gz YVUJRWFBELHLRA-UHFFFAOYSA-N 0 3 264.329 -0.614 20 30 CBEDHN C#CCNCCN(CCO)C(=O)c1c(C)c(C)n[nH]c1=O ZINC001326071351 884897685 /nfs/dbraw/zinc/89/76/85/884897685.db2.gz ZVOQQFLFJBXCIS-UHFFFAOYSA-N 0 3 292.339 -0.544 20 30 CBEDHN C#CCNC(=O)CNCCN(CCO)C(=O)C1(C)CCC1 ZINC001326070716 884898152 /nfs/dbraw/zinc/89/81/52/884898152.db2.gz RRQQNDUJPFYHPL-UHFFFAOYSA-N 0 3 295.383 -0.664 20 30 CBEDHN C#CCNCCN(CCO)C(=O)CCc1ccc(=O)[nH]c1 ZINC001326080543 884900802 /nfs/dbraw/zinc/90/08/02/884900802.db2.gz RWECVGLZEAYOFB-UHFFFAOYSA-N 0 3 291.351 -0.237 20 30 CBEDHN CN(CCC#N)C[C@H](O)CNCCS(=O)(=O)C1CC1 ZINC001326158350 884926561 /nfs/dbraw/zinc/92/65/61/884926561.db2.gz BDZWBKHNIZRTEM-LLVKDONJSA-N 0 3 289.401 -0.640 20 30 CBEDHN C[C@@H]1CN(C2CCOCC2)CCN1CC(=O)NCC#N ZINC001326623479 885096139 /nfs/dbraw/zinc/09/61/39/885096139.db2.gz IXKBILLOKSYDEQ-GFCCVEGCSA-N 0 3 280.372 -0.189 20 30 CBEDHN C#CC[NH2+]C1(CNC(=O)CCc2nnc[n-]2)CCC1 ZINC001326801897 885157016 /nfs/dbraw/zinc/15/70/16/885157016.db2.gz LLBDIKDZXIONSA-UHFFFAOYSA-N 0 3 261.329 -0.001 20 30 CBEDHN CC(=O)N1CCN(CCNC(=O)[C@@H](N)CCCC#N)CC1 ZINC001326817776 885161595 /nfs/dbraw/zinc/16/15/95/885161595.db2.gz VWWDAKPRFKTPTM-ZDUSSCGKSA-N 0 3 295.387 -0.712 20 30 CBEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001326820647 885165999 /nfs/dbraw/zinc/16/59/99/885165999.db2.gz BSBUWSQJBJLHHS-VHSXEESVSA-N 0 3 268.317 -0.890 20 30 CBEDHN CC#CCNC[C@@H]1CN(C(=O)CNC(=O)OC)CCO1 ZINC001326950558 885199639 /nfs/dbraw/zinc/19/96/39/885199639.db2.gz MLVBXZBIVZRWFP-LLVKDONJSA-N 0 3 283.328 -0.817 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)C[C@H](C)OC)CCO1 ZINC001326957284 885202924 /nfs/dbraw/zinc/20/29/24/885202924.db2.gz IDRVXNCIAQTWTM-RYUDHWBXSA-N 0 3 254.330 -0.138 20 30 CBEDHN C[C@H]1CCN(CC(=O)N2CCO[C@H](CNCC#N)C2)C1 ZINC001327036174 885231877 /nfs/dbraw/zinc/23/18/77/885231877.db2.gz SEZGSGGIDCYYHR-QWHCGFSZSA-N 0 3 280.372 -0.331 20 30 CBEDHN COCC#CCN1CCC[C@H](NC(=O)CC(N)=O)CC1 ZINC001327110308 885262559 /nfs/dbraw/zinc/26/25/59/885262559.db2.gz IOISHUKPFQVXJX-LBPRGKRZSA-N 0 3 281.356 -0.518 20 30 CBEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CNC(=O)C2)C1=O ZINC001327526112 885390660 /nfs/dbraw/zinc/39/06/60/885390660.db2.gz RQIDBPOHIYKNMU-WDEREUQCSA-N 0 3 251.330 -0.159 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)CN2CCCC2=O)C1 ZINC001327544082 885397182 /nfs/dbraw/zinc/39/71/82/885397182.db2.gz CWBXKXPBXPYZBF-OAHLLOKOSA-N 0 3 293.367 -0.815 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCOC2)C1 ZINC001327545493 885398635 /nfs/dbraw/zinc/39/86/35/885398635.db2.gz IJRZJGPCWZFWMW-JSGCOSHPSA-N 0 3 266.341 -0.401 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001327547692 885401299 /nfs/dbraw/zinc/40/12/99/885401299.db2.gz WCYFEJLIKGETPH-AWEZNQCLSA-N 0 3 276.340 -0.092 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001327547692 885401301 /nfs/dbraw/zinc/40/13/01/885401301.db2.gz WCYFEJLIKGETPH-AWEZNQCLSA-N 0 3 276.340 -0.092 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@H](C)OC)C1 ZINC001327548313 885401546 /nfs/dbraw/zinc/40/15/46/885401546.db2.gz YJNRDSOJYGJSNF-GXTWGEPZSA-N 0 3 268.357 -0.012 20 30 CBEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001327556842 885405672 /nfs/dbraw/zinc/40/56/72/885405672.db2.gz VZSJKFJFDIRJHN-HNNXBMFYSA-N 0 3 290.367 -0.081 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)OCC#C)C1 ZINC001327566167 885408257 /nfs/dbraw/zinc/40/82/57/885408257.db2.gz ZWNOOHDEBBRXNW-HIFRSBDPSA-N 0 3 278.352 -0.399 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)c2cnn(C)c2N)C1 ZINC001327564163 885408632 /nfs/dbraw/zinc/40/86/32/885408632.db2.gz OMEXNYFYIOTYEV-CQSZACIVSA-N 0 3 291.355 -0.808 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)c2n[nH]nc2C)C1 ZINC001327581377 885413252 /nfs/dbraw/zinc/41/32/52/885413252.db2.gz PADVRDGMHRJJDH-CYBMUJFWSA-N 0 3 277.328 -0.697 20 30 CBEDHN C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NCC(=O)N(C)C ZINC001327827094 885487111 /nfs/dbraw/zinc/48/71/11/885487111.db2.gz HAGGKRXPNRUCCZ-MNOVXSKESA-N 0 3 298.412 -0.232 20 30 CBEDHN C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1NCC(=O)NCC#N ZINC001327831876 885489639 /nfs/dbraw/zinc/48/96/39/885489639.db2.gz YYYSWDSQVPLZFC-JQWIXIFHSA-N 0 3 289.339 -0.295 20 30 CBEDHN C#CCNC(=O)CN[C@H]1CN(C(=O)COCC=C)C[C@@H]1C ZINC001327849541 885498582 /nfs/dbraw/zinc/49/85/82/885498582.db2.gz SCIMNWOKAUXABL-STQMWFEESA-N 0 3 293.367 -0.625 20 30 CBEDHN C=CCCN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328381299 885663797 /nfs/dbraw/zinc/66/37/97/885663797.db2.gz ULXNZRXMDSKZQC-UHFFFAOYSA-N 0 3 293.327 -0.708 20 30 CBEDHN C#CCNC(=O)CCN1CCN([C@H]2CCOC2)CC1 ZINC001328397708 885668824 /nfs/dbraw/zinc/66/88/24/885668824.db2.gz AOKNHNACRRZLQW-ZDUSSCGKSA-N 0 3 265.357 -0.468 20 30 CBEDHN CN(C[C@@H]1COCCO1)C(=O)[C@@H](N)CCCC#N ZINC001328442541 885688237 /nfs/dbraw/zinc/68/82/37/885688237.db2.gz JGFIGTJIJCGBEC-MNOVXSKESA-N 0 3 255.318 -0.119 20 30 CBEDHN C#CCCN1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001328528782 885720545 /nfs/dbraw/zinc/72/05/45/885720545.db2.gz DTFMXSCPJZFFSU-BBRMVZONSA-N 0 3 292.379 -0.011 20 30 CBEDHN C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001328993976 885876772 /nfs/dbraw/zinc/87/67/72/885876772.db2.gz AYBFZGNMTJRCSD-VHSXEESVSA-N 0 3 291.355 -0.436 20 30 CBEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)c1 ZINC001329128394 885942987 /nfs/dbraw/zinc/94/29/87/885942987.db2.gz SYQGOMVWQMDSBL-UWVGGRQHSA-N 0 3 274.324 -0.355 20 30 CBEDHN COCC#CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001329168612 885959258 /nfs/dbraw/zinc/95/92/58/885959258.db2.gz VBTURWMUKVVSKR-CYBMUJFWSA-N 0 3 293.367 -0.599 20 30 CBEDHN N#CCCC[C@H](N)C(=O)NCCCN1C(=O)CCC1=O ZINC001329258618 885985504 /nfs/dbraw/zinc/98/55/04/885985504.db2.gz CFUHGMKBXMRBNG-JTQLQIEISA-N 0 3 280.328 -0.337 20 30 CBEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(C(N)=O)nc1 ZINC001329281926 885995574 /nfs/dbraw/zinc/99/55/74/885995574.db2.gz KMQSFLAMVUYEJB-JTQLQIEISA-N 0 3 275.312 -0.182 20 30 CBEDHN C#CCNC(=O)CCN[C@@H]1CCN(C2CCOCC2)C1=O ZINC001329611580 886144177 /nfs/dbraw/zinc/14/41/77/886144177.db2.gz ZLPCBTXIJYGDOV-CYBMUJFWSA-N 0 3 293.367 -0.505 20 30 CBEDHN C=CCOCCN1CC([C@H](C)NC(=O)CC(N)=O)C1 ZINC001329983354 886315109 /nfs/dbraw/zinc/31/51/09/886315109.db2.gz HZTVAPVABIXVST-JTQLQIEISA-N 0 3 269.345 -0.499 20 30 CBEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C3(C(=O)NC)CC3)[C@@H]2C1 ZINC001330347561 886422498 /nfs/dbraw/zinc/42/24/98/886422498.db2.gz OEECPFCKELDTIQ-XYYAHUGASA-N 0 3 289.379 -0.170 20 30 CBEDHN COCC#CCN[C@@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001330362065 886427195 /nfs/dbraw/zinc/42/71/95/886427195.db2.gz CUUIIMGVVOZOQI-WCQYABFASA-N 0 3 254.330 -0.138 20 30 CBEDHN C#CCN(C)CCOCCNC(=O)c1cn(C)cn1 ZINC001331111294 886680561 /nfs/dbraw/zinc/68/05/61/886680561.db2.gz QJQQPBLHFYZOOB-UHFFFAOYSA-N 0 3 264.329 -0.269 20 30 CBEDHN C#CCN(C)CCOCCNC(=O)c1ccnnc1 ZINC001331150130 886695831 /nfs/dbraw/zinc/69/58/31/886695831.db2.gz QZBQUWONPFVMQX-UHFFFAOYSA-N 0 3 262.313 -0.212 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](CC)OC ZINC001331407536 886795918 /nfs/dbraw/zinc/79/59/18/886795918.db2.gz RXDNVJAEYDQRAS-VXGBXAGGSA-N 0 3 283.372 -0.403 20 30 CBEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCC(=O)NC ZINC001331426474 886804505 /nfs/dbraw/zinc/80/45/05/886804505.db2.gz ISVIPYQKDWKLGO-LLVKDONJSA-N 0 3 253.346 -0.028 20 30 CBEDHN C[C@H](CN(C)C(=O)CC1(O)CCC1)NCC(=O)NCC#N ZINC001331438540 886807645 /nfs/dbraw/zinc/80/76/45/886807645.db2.gz HUEZDDXENKHTFS-LLVKDONJSA-N 0 3 296.371 -0.632 20 30 CBEDHN C#CCN[C@@H](C)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001331492672 886821557 /nfs/dbraw/zinc/82/15/57/886821557.db2.gz XOHLNXYMQXUGGT-JTQLQIEISA-N 0 3 272.370 -0.509 20 30 CBEDHN CO[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N)C(C)C ZINC001331547944 886839674 /nfs/dbraw/zinc/83/96/74/886839674.db2.gz PYKKVVNFMPLSGW-DGCLKSJQSA-N 0 3 298.387 -0.266 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001331742267 886949099 /nfs/dbraw/zinc/94/90/99/886949099.db2.gz YONSQWVTJYAFQX-NSHDSACASA-N 0 3 275.312 -0.176 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001331742265 886949193 /nfs/dbraw/zinc/94/91/93/886949193.db2.gz YONSQWVTJYAFQX-LLVKDONJSA-N 0 3 275.312 -0.176 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)c1cccc(C(N)=O)c1 ZINC001331739498 886950104 /nfs/dbraw/zinc/95/01/04/886950104.db2.gz MAHVFDVMNKQGGU-GFCCVEGCSA-N 0 3 277.324 -0.348 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)c1ccc(OC)nc1 ZINC001331739370 886950424 /nfs/dbraw/zinc/95/04/24/886950424.db2.gz IZGMFUHSTPGEDW-NSHDSACASA-N 0 3 265.313 -0.044 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)COc1cccnc1 ZINC001331805221 886991691 /nfs/dbraw/zinc/99/16/91/886991691.db2.gz NLEFLCACLSIHKD-NSHDSACASA-N 0 3 265.313 -0.287 20 30 CBEDHN C#CCN[C@@H](CO)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001331806031 886991754 /nfs/dbraw/zinc/99/17/54/886991754.db2.gz SWKVXNUFJUOFFD-CYBMUJFWSA-N 0 3 299.334 -0.419 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001331825633 887002562 /nfs/dbraw/zinc/00/25/62/887002562.db2.gz PQMIPDFYXJKSLL-NWDGAFQWSA-N 0 3 283.372 -0.502 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001331839130 887008120 /nfs/dbraw/zinc/00/81/20/887008120.db2.gz BNTHZVVADJFWFN-ZDUSSCGKSA-N 0 3 291.351 -0.419 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001331843770 887012192 /nfs/dbraw/zinc/01/21/92/887012192.db2.gz XVOCJYKYCYOBHJ-RUXDESIVSA-N 0 3 297.399 -0.066 20 30 CBEDHN C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cocn1 ZINC001331862339 887018619 /nfs/dbraw/zinc/01/86/19/887018619.db2.gz WZDHZYRZECPTAC-VHSXEESVSA-N 0 3 291.311 -0.493 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC001331879120 887024752 /nfs/dbraw/zinc/02/47/52/887024752.db2.gz OKAVCJRJUOLMOY-GHMZBOCLSA-N 0 3 291.355 -0.096 20 30 CBEDHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331975188 887071234 /nfs/dbraw/zinc/07/12/34/887071234.db2.gz GTDXXTGUICTJFV-NEPJUHHUSA-N 0 3 265.357 -0.029 20 30 CBEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001332016239 887084480 /nfs/dbraw/zinc/08/44/80/887084480.db2.gz RYCDMAZNMYYHBF-ZJUUUORDSA-N 0 3 262.317 -0.574 20 30 CBEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)CCC2=O)C1 ZINC001332046353 887093416 /nfs/dbraw/zinc/09/34/16/887093416.db2.gz GIIPWHVPWJQHIF-RYUDHWBXSA-N 0 3 291.351 -0.262 20 30 CBEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CCC2=O)C1 ZINC001332046355 887094923 /nfs/dbraw/zinc/09/49/23/887094923.db2.gz GIIPWHVPWJQHIF-VXGBXAGGSA-N 0 3 291.351 -0.262 20 30 CBEDHN CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001332527284 887339130 /nfs/dbraw/zinc/33/91/30/887339130.db2.gz BPQOXXZMJKCLKE-JTQLQIEISA-N 0 3 278.312 -0.772 20 30 CBEDHN CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCC#N)N(C)C ZINC001332591574 887369653 /nfs/dbraw/zinc/36/96/53/887369653.db2.gz JPTQONCUWDRXAW-RYUDHWBXSA-N 0 3 270.377 -0.495 20 30 CBEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001332616875 887377010 /nfs/dbraw/zinc/37/70/10/887377010.db2.gz PIMFFJOFOFBIFQ-LLVKDONJSA-N 0 3 257.334 -0.940 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001332631140 887386598 /nfs/dbraw/zinc/38/65/98/887386598.db2.gz FJAPVYSDSIRQRY-OLZOCXBDSA-N 0 3 297.399 -0.208 20 30 CBEDHN C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)CN(C)CC#N)C1 ZINC001332665238 887396863 /nfs/dbraw/zinc/39/68/63/887396863.db2.gz YZDMFNALBKYHNZ-CHWSQXEVSA-N 0 3 282.388 -0.397 20 30 CBEDHN CN(C)C[C@@H]1NC(=O)N(c2ccn(CCC#N)n2)C1=O ZINC001332913463 887471457 /nfs/dbraw/zinc/47/14/57/887471457.db2.gz SSMAPRWTDWXEQE-VIFPVBQESA-N 0 3 276.300 -0.217 20 30 CBEDHN CN(C)C[C@H]1NC(=O)N(c2ccn(CCC#N)n2)C1=O ZINC001332913461 887472418 /nfs/dbraw/zinc/47/24/18/887472418.db2.gz SSMAPRWTDWXEQE-SECBINFHSA-N 0 3 276.300 -0.217 20 30 CBEDHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001447861765 913149763 /nfs/dbraw/zinc/14/97/63/913149763.db2.gz YZBFEINJRRZTBP-IUCAKERBSA-N 0 3 277.328 -0.271 20 30 CBEDHN C#CCN(C(=O)C(=O)NC[C@@H](C)OC)C1CCN(C)CC1 ZINC001333122543 887535059 /nfs/dbraw/zinc/53/50/59/887535059.db2.gz UXFRNOQIPACIKI-GFCCVEGCSA-N 0 3 295.383 -0.307 20 30 CBEDHN C#CCN(C(=O)C(=O)N[C@@H](C)COC)C1CCN(C)CC1 ZINC001333218320 887564891 /nfs/dbraw/zinc/56/48/91/887564891.db2.gz AKMSFKUYJOZRBP-LBPRGKRZSA-N 0 3 295.383 -0.307 20 30 CBEDHN C#C[C@H](CO)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001334433441 888232499 /nfs/dbraw/zinc/23/24/99/888232499.db2.gz IMXBAHUVLFSJOP-RDBSUJKOSA-N 0 3 290.367 -0.434 20 30 CBEDHN N#CC[C@@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001334574161 888267805 /nfs/dbraw/zinc/26/78/05/888267805.db2.gz RDBMAKAWQADWPD-JHJVBQTASA-N 0 3 253.346 -0.208 20 30 CBEDHN C=C(C)[C@@H](CO)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001335157846 888427033 /nfs/dbraw/zinc/42/70/33/888427033.db2.gz AVEYNXYCDPGZMT-GHMZBOCLSA-N 0 3 254.330 -0.192 20 30 CBEDHN N#CCCOCCN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001335157502 888426993 /nfs/dbraw/zinc/42/69/93/888426993.db2.gz YFGFGNBSMZMIEB-SNVBAGLBSA-N 0 3 261.347 -0.473 20 30 CBEDHN CC1=NO[C@H](CNC[C@@H](O)CN(C)CCC#N)C1 ZINC001335426451 888532097 /nfs/dbraw/zinc/53/20/97/888532097.db2.gz RULSBXVEGFPVHA-NEPJUHHUSA-N 0 3 254.334 -0.053 20 30 CBEDHN C#C[C@H](NC[C@H](O)C[C@@]1(O)CCOC1)[C@@H]1CCCO1 ZINC001336045141 888683210 /nfs/dbraw/zinc/68/32/10/888683210.db2.gz AJSZSXALFLMCTB-RFGFWPKPSA-N 0 3 269.341 -0.341 20 30 CBEDHN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H](N)CCCC#N ZINC001336711199 888852470 /nfs/dbraw/zinc/85/24/70/888852470.db2.gz HWHPLVPAZDYDTK-STQMWFEESA-N 0 3 298.387 -0.841 20 30 CBEDHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C#CC1CC1)N(C)C ZINC001337860617 889092864 /nfs/dbraw/zinc/09/28/64/889092864.db2.gz HIKVDOOCOWMGBT-OLZOCXBDSA-N 0 3 295.383 -0.667 20 30 CBEDHN C=CCNC(=O)CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001339999393 889363760 /nfs/dbraw/zinc/36/37/60/889363760.db2.gz VKVAPVWPHXYWAO-ZJUUUORDSA-N 0 3 254.334 -0.320 20 30 CBEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001341956519 889689503 /nfs/dbraw/zinc/68/95/03/889689503.db2.gz ZZUBXAQVTSULPY-SNVBAGLBSA-N 0 3 288.307 -0.044 20 30 CBEDHN C=CCCC[C@@H](N)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001343263515 889882075 /nfs/dbraw/zinc/88/20/75/889882075.db2.gz OXUBDBMKXHQTPR-GHMZBOCLSA-N 0 3 297.355 -0.488 20 30 CBEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1nnnn1C ZINC001343343634 889890260 /nfs/dbraw/zinc/89/02/60/889890260.db2.gz HUSATKRWEVAZGZ-NKWVEPMBSA-N 0 3 258.713 -0.143 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N1CCN(C)C[C@@H]1CO ZINC001343490161 889923258 /nfs/dbraw/zinc/92/32/58/889923258.db2.gz MLZCSYFLFCLMHN-NEPJUHHUSA-N 0 3 255.362 -0.195 20 30 CBEDHN N#CC(C(=O)[C@H]1C[C@H]1F)C(=O)N1CCS(=O)(=O)CC1 ZINC001344515749 890031453 /nfs/dbraw/zinc/03/14/53/890031453.db2.gz YBLHYSCFVDUGKC-DJLDLDEBSA-N 0 3 288.300 -0.690 20 30 CBEDHN C[C@@H](C#N)C(=O)NC[C@@H](CO)NCc1ccc(CO)cc1 ZINC001448836763 913418402 /nfs/dbraw/zinc/41/84/02/913418402.db2.gz XTELUCOICBEASI-FZMZJTMJSA-N 0 3 291.351 -0.095 20 30 CBEDHN CCS(=O)(=O)NCCCNC(=O)[C@@H](N)CCCC#N ZINC001345753608 890159400 /nfs/dbraw/zinc/15/94/00/890159400.db2.gz FZANEZHJJOKCCU-JTQLQIEISA-N 0 3 290.389 -0.547 20 30 CBEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC ZINC001346199192 890234696 /nfs/dbraw/zinc/23/46/96/890234696.db2.gz PLTQBJICEJWZDF-WDEREUQCSA-N 0 3 266.297 -0.114 20 30 CBEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001346636074 890337753 /nfs/dbraw/zinc/33/77/53/890337753.db2.gz ZJWVNAZRYXEPPK-VIFPVBQESA-N 0 3 278.316 -0.589 20 30 CBEDHN C#CCNC(=O)C1CCN(CCc2cn(C)nn2)CC1 ZINC001348134943 890564827 /nfs/dbraw/zinc/56/48/27/890564827.db2.gz BOGWNWZNMDHUII-UHFFFAOYSA-N 0 3 275.356 -0.181 20 30 CBEDHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001348314108 890592661 /nfs/dbraw/zinc/59/26/61/890592661.db2.gz IBCBDQHPOFAVAE-GFCCVEGCSA-N 0 3 270.308 -0.529 20 30 CBEDHN COC(=O)[C@@]1(NC(=O)[C@H](N)CCCC#N)CCOC1 ZINC001348859980 890715612 /nfs/dbraw/zinc/71/56/12/890715612.db2.gz LCOOLKDOWRLGER-BXKDBHETSA-N 0 3 269.301 -0.544 20 30 CBEDHN C#CCOCCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC001348891988 890721140 /nfs/dbraw/zinc/72/11/40/890721140.db2.gz UNQKFXRFENGVTN-CYBMUJFWSA-N 0 3 295.383 -0.495 20 30 CBEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C1CC1 ZINC001449103055 913504985 /nfs/dbraw/zinc/50/49/85/913504985.db2.gz AYKRZQKLYPIXTE-JQWIXIFHSA-N 0 3 296.371 -0.824 20 30 CBEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)COC)CC1 ZINC001350452223 890987724 /nfs/dbraw/zinc/98/77/24/890987724.db2.gz GCWZTWDZGDTMOO-NSHDSACASA-N 0 3 283.372 -0.096 20 30 CBEDHN COCC#CC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001351026180 891097044 /nfs/dbraw/zinc/09/70/44/891097044.db2.gz ZACFDTJIHAFTRA-UHFFFAOYSA-N 0 3 265.357 -0.658 20 30 CBEDHN C=C(CO)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001351823112 891191277 /nfs/dbraw/zinc/19/12/77/891191277.db2.gz KHPMIUWKIVNZLQ-LBPRGKRZSA-N 0 3 254.330 -0.096 20 30 CBEDHN C#CCN(C(=O)c1ccc(=O)n(C)n1)C1CCN(C)CC1 ZINC001351819020 891191650 /nfs/dbraw/zinc/19/16/50/891191650.db2.gz CZIXHLZPJPESCI-UHFFFAOYSA-N 0 3 288.351 -0.050 20 30 CBEDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)CN(C)CCC#N ZINC001353299036 891395121 /nfs/dbraw/zinc/39/51/21/891395121.db2.gz BQVFVIRUWZIQOB-WOPDTQHZSA-N 0 3 268.361 -0.693 20 30 CBEDHN C=C[C@H](COC)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001353373118 891415394 /nfs/dbraw/zinc/41/53/94/891415394.db2.gz FIOVHENFHCICBD-VXGBXAGGSA-N 0 3 298.387 -0.051 20 30 CBEDHN C=CCN1CCC(NC(=O)[C@@H]2CN(C)C(=O)CN2)CC1 ZINC001353533844 891444087 /nfs/dbraw/zinc/44/40/87/891444087.db2.gz AXRLNQDTLZPFGX-LBPRGKRZSA-N 0 3 280.372 -0.817 20 30 CBEDHN C=C(CO)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001355163515 891656304 /nfs/dbraw/zinc/65/63/04/891656304.db2.gz CDYRKMKDKZCBEO-VXGBXAGGSA-N 0 3 254.330 -0.408 20 30 CBEDHN C[C@H](C#N)C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001355870245 891713970 /nfs/dbraw/zinc/71/39/70/891713970.db2.gz WQCIKHYOURXBOB-LLVKDONJSA-N 0 3 266.345 -0.184 20 30 CBEDHN C=CCOCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001356750288 891795219 /nfs/dbraw/zinc/79/52/19/891795219.db2.gz KJXQAYDKWJDWLJ-UHFFFAOYSA-N 0 3 283.372 -0.144 20 30 CBEDHN CC(C)CN1CCC[C@H]1C(=O)NCC(=O)NCC#N ZINC001358228069 891981201 /nfs/dbraw/zinc/98/12/01/891981201.db2.gz MSVWOSLDPOYZQO-NSHDSACASA-N 0 3 266.345 -0.137 20 30 CBEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001362210105 892504390 /nfs/dbraw/zinc/50/43/90/892504390.db2.gz RMAHYIGSCGMEAA-UPJWGTAASA-N 0 3 290.367 -0.089 20 30 CBEDHN C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001451430002 913837932 /nfs/dbraw/zinc/83/79/32/913837932.db2.gz XYCNYLSTJGBPAR-WDEREUQCSA-N 0 3 296.371 -0.776 20 30 CBEDHN CN1CC[C@@](O)(CNC(=O)NCc2nc(C#N)cs2)C1 ZINC001364345633 894355212 /nfs/dbraw/zinc/35/52/12/894355212.db2.gz HOOOOUPKMJQIQN-GFCCVEGCSA-N 0 3 295.368 -0.119 20 30 CBEDHN N#CC1(C[C@@H](O)CN2CCC(S(N)(=O)=O)CC2)CC1 ZINC001364376086 894374125 /nfs/dbraw/zinc/37/41/25/894374125.db2.gz GVARCRFKBOGCAV-SNVBAGLBSA-N 0 3 287.385 -0.206 20 30 CBEDHN CNC(=O)CN1CCCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001364496760 894457054 /nfs/dbraw/zinc/45/70/54/894457054.db2.gz ACOJNDOIQOZNOZ-ZDUSSCGKSA-N 0 3 294.399 -0.205 20 30 CBEDHN CN(C)CCN1CCN(c2cnc(C#N)c(C#N)n2)CC1=O ZINC001364566156 894498846 /nfs/dbraw/zinc/49/88/46/894498846.db2.gz LOZWPZUIVPXZCS-UHFFFAOYSA-N 0 3 299.338 -0.570 20 30 CBEDHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001367029300 895537289 /nfs/dbraw/zinc/53/72/89/895537289.db2.gz YZRGFDMHCJOCDE-YPMHNXCESA-N 0 3 292.339 -0.302 20 30 CBEDHN C[C@H](C#N)C(=O)N1CCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001368528527 896029469 /nfs/dbraw/zinc/02/94/69/896029469.db2.gz VBEDGRQOZJIGDR-PWSUYJOCSA-N 0 3 294.355 -0.758 20 30 CBEDHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001368938297 896116752 /nfs/dbraw/zinc/11/67/52/896116752.db2.gz LZJXOKMMPZZPAV-PWSUYJOCSA-N 0 3 294.355 -0.056 20 30 CBEDHN CN(C(=O)c1cc(C#N)c[nH]1)[C@@H](CNCC(N)=O)C1CC1 ZINC001369198066 896166999 /nfs/dbraw/zinc/16/69/99/896166999.db2.gz BBSXXBJWLQHNMO-LBPRGKRZSA-N 0 3 289.339 -0.188 20 30 CBEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001370354121 896420794 /nfs/dbraw/zinc/42/07/94/896420794.db2.gz 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-0.141 20 30 CBEDHN C#CC1(O)CN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000893219788 584636793 /nfs/dbraw/zinc/63/67/93/584636793.db2.gz IXWAVJLPKQZCKT-MNOVXSKESA-N 0 3 251.330 -0.141 20 30 CBEDHN C#CCOCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894154051 584652274 /nfs/dbraw/zinc/65/22/74/584652274.db2.gz IXWSALMXDGIZKB-UONOGXRCSA-N 0 3 295.383 -0.123 20 30 CBEDHN CCO[C@@H]1C[C@H](NCCn2cnc(C#N)n2)[C@H]1OC ZINC000894420100 584657581 /nfs/dbraw/zinc/65/75/81/584657581.db2.gz NIZHGAHCEGWJGY-HOSYDEDBSA-N 0 3 265.317 -0.068 20 30 CBEDHN CN1C[C@@H]2CCN(C(=O)NCCn3cnc(C#N)n3)[C@@H]2C1 ZINC000894787065 584664388 /nfs/dbraw/zinc/66/43/88/584664388.db2.gz VGTZWCLUNMSBCZ-WDEREUQCSA-N 0 3 289.343 -0.505 20 30 CBEDHN CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCN(C)C1 ZINC000894817703 584664997 /nfs/dbraw/zinc/66/49/97/584664997.db2.gz WBBOEDBQEAJOLS-SNVBAGLBSA-N 0 3 267.333 -0.638 20 30 CBEDHN COCCN1CC[C@@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895159024 584672046 /nfs/dbraw/zinc/67/20/46/584672046.db2.gz BTVTWDBXQLXWTN-GHMZBOCLSA-N 0 3 257.334 -0.323 20 30 CBEDHN C#CC1(O)CN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896746541 584705375 /nfs/dbraw/zinc/70/53/75/584705375.db2.gz ALOANQDZYLTINX-ZDUSSCGKSA-N 0 3 293.367 -0.371 20 30 CBEDHN C#CCOCCNC(=O)C1CN(C2CCOCC2)C1 ZINC000897373955 584714103 /nfs/dbraw/zinc/71/41/03/584714103.db2.gz YSTXAQKKZKETLA-UHFFFAOYSA-N 0 3 266.341 -0.137 20 30 CBEDHN CN1CCC[C@@](O)(CC(=O)N(CC#N)CC#N)C1 ZINC000900463525 584806061 /nfs/dbraw/zinc/80/60/61/584806061.db2.gz FYCROXOMEKKFHS-GFCCVEGCSA-N 0 3 250.302 -0.291 20 30 CBEDHN C#CCN1CCN(C(=O)C[C@@]2(O)CCCN(C)C2)CC1 ZINC000900690335 584822030 /nfs/dbraw/zinc/82/20/30/584822030.db2.gz QJYDQHWLLIPSST-HNNXBMFYSA-N 0 3 279.384 -0.389 20 30 CBEDHN CN(C)CCn1nccc1C(=O)N1CCN(CC#N)CC1 ZINC000900776759 584826406 /nfs/dbraw/zinc/82/64/06/584826406.db2.gz LKSPXWXQQNPLQM-UHFFFAOYSA-N 0 3 290.371 -0.274 20 30 CBEDHN CN(C)CCn1nccc1C(=O)N1CCOC[C@H]1C#N ZINC000900848887 584830219 /nfs/dbraw/zinc/83/02/19/584830219.db2.gz VMJBWBQOVIKWAL-LLVKDONJSA-N 0 3 277.328 -0.191 20 30 CBEDHN COC[C@@](C)(C#N)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000901056618 584844020 /nfs/dbraw/zinc/84/40/20/584844020.db2.gz PGGYRVUJAHBVQV-CHWSQXEVSA-N 0 3 269.345 -0.122 20 30 CBEDHN C#CCN(Cn1nc(C)n(C)c1=O)C1CCN(C)CC1 ZINC000902540249 584878286 /nfs/dbraw/zinc/87/82/86/584878286.db2.gz SDEFFMZDPKKMGB-UHFFFAOYSA-N 0 3 277.372 -0.123 20 30 CBEDHN C=CCN1CC[C@H](N2CCNC[C@@H]2COC)C1=O ZINC000903882452 584903885 /nfs/dbraw/zinc/90/38/85/584903885.db2.gz ZLHQLSURWBXTER-NEPJUHHUSA-N 0 3 253.346 -0.307 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000969981156 612965354 /nfs/dbraw/zinc/96/53/54/612965354.db2.gz WCENJFYHJVJGAB-SECBINFHSA-N 0 3 260.297 -0.449 20 30 CBEDHN C#CCN[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000939239741 612968658 /nfs/dbraw/zinc/96/86/58/612968658.db2.gz CWECNHOILSHRRV-WCQYABFASA-N 0 3 298.408 -0.119 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000970374884 612960290 /nfs/dbraw/zinc/96/02/90/612960290.db2.gz GLBOLDKLAUIGPK-LLVKDONJSA-N 0 3 284.381 -0.223 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000970637882 612960829 /nfs/dbraw/zinc/96/08/29/612960829.db2.gz HFSXWNALXYHSDH-SNVBAGLBSA-N 0 3 292.339 -0.860 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC000969462244 612961408 /nfs/dbraw/zinc/96/14/08/612961408.db2.gz JBSNBUOQRJXWBN-NEPJUHHUSA-N 0 3 284.381 -0.223 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC000969102369 612962372 /nfs/dbraw/zinc/96/23/72/612962372.db2.gz DKWHGQOJFQEKNI-NXEZZACHSA-N 0 3 258.343 -0.757 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000970350425 612964526 /nfs/dbraw/zinc/96/45/26/612964526.db2.gz NVZQNUFBKYAKGM-SNVBAGLBSA-N 0 3 260.297 -0.449 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000970851529 612965447 /nfs/dbraw/zinc/96/54/47/612965447.db2.gz JARXABNKOJSXCF-LLVKDONJSA-N 0 3 272.308 -0.382 20 30 CBEDHN C#CCN[C@@H]1CCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000969368415 612967278 /nfs/dbraw/zinc/96/72/78/612967278.db2.gz RSIMXHJUQDMCQI-LLVKDONJSA-N 0 3 284.323 -0.199 20 30 CBEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000970291963 612994295 /nfs/dbraw/zinc/99/42/95/612994295.db2.gz IDQFBTYBWLETJO-DGCLKSJQSA-N 0 3 277.368 -0.076 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970763672 612996578 /nfs/dbraw/zinc/99/65/78/612996578.db2.gz NCHLIJWUFRNOTA-JQWIXIFHSA-N 0 3 263.341 -0.275 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000970271809 612996737 /nfs/dbraw/zinc/99/67/37/612996737.db2.gz XCZRIJWILFHKLC-CMPLNLGQSA-N 0 3 278.356 -0.530 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000969440437 612996862 /nfs/dbraw/zinc/99/68/62/612996862.db2.gz GUCQVLCQHXZACT-GXTWGEPZSA-N 0 3 279.384 -0.223 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969878368 612997207 /nfs/dbraw/zinc/99/72/07/612997207.db2.gz QLBCMYFJNWTGGT-NSHDSACASA-N 0 3 288.351 -0.146 20 30 CBEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC000969603194 612998118 /nfs/dbraw/zinc/99/81/18/612998118.db2.gz SMXMTEOKTXKHNM-JTQLQIEISA-N 0 3 261.329 -0.112 20 30 CBEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965899113 613013676 /nfs/dbraw/zinc/01/36/76/613013676.db2.gz DTUJZZKLIZFFAM-NEPJUHHUSA-N 0 3 291.355 -0.166 20 30 CBEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C(C)(C)C1 ZINC000974543127 613032644 /nfs/dbraw/zinc/03/26/44/613032644.db2.gz YOIDPZJEHZIMDB-GHMZBOCLSA-N 0 3 279.340 -0.055 20 30 CBEDHN C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nonc2C)C1 ZINC000958749248 613034240 /nfs/dbraw/zinc/03/42/40/613034240.db2.gz VTNKEQICOTWONR-WDEREUQCSA-N 0 3 278.312 -0.576 20 30 CBEDHN C#CCCN1C[C@@H](CNC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC000957980731 613034654 /nfs/dbraw/zinc/03/46/54/613034654.db2.gz XLSFKXSWUDCAHM-GHMZBOCLSA-N 0 3 293.323 -0.271 20 30 CBEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974902945 613038048 /nfs/dbraw/zinc/03/80/48/613038048.db2.gz NAPWMUCHCHKJTH-NEPJUHHUSA-N 0 3 292.383 -0.140 20 30 CBEDHN C#CCCN1C[C@H](O)[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958282858 613039845 /nfs/dbraw/zinc/03/98/45/613039845.db2.gz BCUKDBWWTLAFND-PWSUYJOCSA-N 0 3 293.323 -0.271 20 30 CBEDHN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000971271782 613091736 /nfs/dbraw/zinc/09/17/36/613091736.db2.gz QCYICMXICAZVLK-STQMWFEESA-N 0 3 265.357 -0.517 20 30 CBEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CCO)C1 ZINC000969866102 613200751 /nfs/dbraw/zinc/20/07/51/613200751.db2.gz SWHJSKBJMWUGJU-JSGCOSHPSA-N 0 3 279.384 -0.487 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948016860 613224853 /nfs/dbraw/zinc/22/48/53/613224853.db2.gz RPKJIILMQNDEEP-NWDGAFQWSA-N 0 3 291.351 -0.262 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944809709 613224915 /nfs/dbraw/zinc/22/49/15/613224915.db2.gz GHRKOESIYLDWHJ-VXGBXAGGSA-N 0 3 291.351 -0.405 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@H]1C ZINC000947396532 613225543 /nfs/dbraw/zinc/22/55/43/613225543.db2.gz WRTUQCNWNLUHDZ-CHWSQXEVSA-N 0 3 293.367 -0.553 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000942130703 613225554 /nfs/dbraw/zinc/22/55/54/613225554.db2.gz PTVBQVJLZUSXNX-QWHCGFSZSA-N 0 3 293.367 -0.695 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 ZINC000942141670 613232419 /nfs/dbraw/zinc/23/24/19/613232419.db2.gz COBBUZJHHFPGJY-VXGBXAGGSA-N 0 3 288.351 -0.146 20 30 CBEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C[C@H]1C ZINC000948002589 613234119 /nfs/dbraw/zinc/23/41/19/613234119.db2.gz TXASPPVMULBEFZ-VXGBXAGGSA-N 0 3 288.351 -0.004 20 30 CBEDHN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000968516599 613247537 /nfs/dbraw/zinc/24/75/37/613247537.db2.gz CCCPSWJJTYENKO-QWRGUYRKSA-N 0 3 261.329 -0.193 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@H]1C ZINC000947396533 613259453 /nfs/dbraw/zinc/25/94/53/613259453.db2.gz WRTUQCNWNLUHDZ-OLZOCXBDSA-N 0 3 293.367 -0.553 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC000947611641 613259597 /nfs/dbraw/zinc/25/95/97/613259597.db2.gz OJTNHPFKQVLALI-STQMWFEESA-N 0 3 292.383 -0.980 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000942130704 613259718 /nfs/dbraw/zinc/25/97/18/613259718.db2.gz PTVBQVJLZUSXNX-STQMWFEESA-N 0 3 293.367 -0.695 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942200649 613262606 /nfs/dbraw/zinc/26/26/06/613262606.db2.gz NVPWKZIUEYYDJF-NEPJUHHUSA-N 0 3 291.355 -0.958 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](C)C1 ZINC000942527255 613273852 /nfs/dbraw/zinc/27/38/52/613273852.db2.gz JVALIQSNSCQSDD-RYUDHWBXSA-N 0 3 288.351 -0.146 20 30 CBEDHN C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945220261 613273943 /nfs/dbraw/zinc/27/39/43/613273943.db2.gz GVFKEJKJJVJWFX-RYUDHWBXSA-N 0 3 290.367 -0.203 20 30 CBEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC000982496836 613293293 /nfs/dbraw/zinc/29/32/93/613293293.db2.gz NKPJKQVMNKNZKD-DFBGVHRSSA-N 0 3 290.367 -0.529 20 30 CBEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000970355685 613299458 /nfs/dbraw/zinc/29/94/58/613299458.db2.gz AABWZAXQSTYKAY-MWLCHTKSSA-N 0 3 266.345 -0.320 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CC)C3)[C@@H]2C1 ZINC000978232731 613307804 /nfs/dbraw/zinc/30/78/04/613307804.db2.gz OMRDTMRWYVIXOS-SYQHCUMBSA-N 0 3 289.379 -0.218 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC000978331377 613307852 /nfs/dbraw/zinc/30/78/52/613307852.db2.gz ZDHXGAKJPIWOPA-LPWJVIDDSA-N 0 3 275.352 -0.560 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC000978012025 613309128 /nfs/dbraw/zinc/30/91/28/613309128.db2.gz PTTDSTUEVGNUFK-ZDEQEGDKSA-N 0 3 275.352 -0.560 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC000978605136 613309456 /nfs/dbraw/zinc/30/94/56/613309456.db2.gz 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827391087 /nfs/dbraw/zinc/39/10/87/827391087.db2.gz KDQGDGAGZNTNRK-NXEZZACHSA-N 0 3 279.344 -0.192 20 30 CBEDHN COCC1(C(=O)N[C@H](C)CNCC(=O)NCC#N)CC1 ZINC001268652907 827393149 /nfs/dbraw/zinc/39/31/49/827393149.db2.gz DYPOTLMEIRYOHG-SNVBAGLBSA-N 0 3 282.344 -0.853 20 30 CBEDHN C#CCNC[C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001268664725 827396735 /nfs/dbraw/zinc/39/67/35/827396735.db2.gz OQWYHRMIYRTJSI-SECBINFHSA-N 0 3 260.359 -0.463 20 30 CBEDHN CC#CCNC[C@@H](C)NC(=O)CS(=O)(=O)CCC ZINC001268672845 827398724 /nfs/dbraw/zinc/39/87/24/827398724.db2.gz BDUAFKWCYLEJNP-LLVKDONJSA-N 0 3 274.386 -0.071 20 30 CBEDHN CC#CCNC[C@@H](C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001268675428 827398966 /nfs/dbraw/zinc/39/89/66/827398966.db2.gz ZEPOMQMVFYFMBC-MNOVXSKESA-N 0 3 272.370 -0.319 20 30 CBEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)COC ZINC001268676607 827399439 /nfs/dbraw/zinc/39/94/39/827399439.db2.gz YZYNVFNGBPKPJQ-UWVGGRQHSA-N 0 3 257.334 -0.582 20 30 CBEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)=O 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KLFSQKGAGJPJHF-STQMWFEESA-N 0 3 297.399 -0.469 20 30 CBEDHN C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC1(C)C ZINC001332506812 887330007 /nfs/dbraw/zinc/33/00/07/887330007.db2.gz YCSPKKHJYFJOHZ-NWDGAFQWSA-N 0 3 297.399 -0.256 20 30 CBEDHN CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)CC1(C)CC1 ZINC001332545444 887348881 /nfs/dbraw/zinc/34/88/81/887348881.db2.gz DWGAFASJXJPBDL-LLVKDONJSA-N 0 3 296.371 -0.775 20 30 CBEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001332575735 887361893 /nfs/dbraw/zinc/36/18/93/887361893.db2.gz SFECVXIKMMERHE-LLVKDONJSA-N 0 3 285.388 -0.256 20 30 CBEDHN CC(C)[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N ZINC001332579779 887364713 /nfs/dbraw/zinc/36/47/13/887364713.db2.gz UYMMNAYNOFIHBW-NEPJUHHUSA-N 0 3 298.387 -0.673 20 30 CBEDHN CC(C)[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N ZINC001332579780 887365036 /nfs/dbraw/zinc/36/50/36/887365036.db2.gz UYMMNAYNOFIHBW-NWDGAFQWSA-N 0 3 298.387 -0.673 20 30 CBEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001332632708 887383389 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/nfs/dbraw/zinc/24/75/96/828247596.db2.gz CQTBIILXRHPJMU-NEPJUHHUSA-N 0 3 278.356 -0.302 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001278105037 828248320 /nfs/dbraw/zinc/24/83/20/828248320.db2.gz DWTQYRZABWFRIV-VIFPVBQESA-N 0 3 290.323 -0.558 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)C(C)(C)N1CCOCC1 ZINC001278171942 828255324 /nfs/dbraw/zinc/25/53/24/828255324.db2.gz NLLMHODTTVWMJO-LBPRGKRZSA-N 0 3 285.388 -0.650 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001278178204 828255376 /nfs/dbraw/zinc/25/53/76/828255376.db2.gz DAEXDBILZHJBSR-MRVPVSSYSA-N 0 3 297.277 -0.692 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001278178135 828255534 /nfs/dbraw/zinc/25/55/34/828255534.db2.gz BSXXEUHTTAFKMR-VIFPVBQESA-N 0 3 266.301 -0.649 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)C(C)(C)N1CCOCC1 ZINC001278171941 828255822 /nfs/dbraw/zinc/25/58/22/828255822.db2.gz NLLMHODTTVWMJO-GFCCVEGCSA-N 0 3 285.388 -0.650 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C ZINC001278221448 828259147 /nfs/dbraw/zinc/25/91/47/828259147.db2.gz QRNUCZRAKAITKM-WDEREUQCSA-N 0 3 291.355 -0.096 20 30 CBEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC)[C@@H]1C ZINC001278213766 828259804 /nfs/dbraw/zinc/25/98/04/828259804.db2.gz QEBGJGOWXZUGML-GHMZBOCLSA-N 0 3 296.371 -0.013 20 30 CBEDHN C=CCOCC(=O)N1CC[C@@H](NCC(=O)NC)[C@@H]1C ZINC001278233825 828260740 /nfs/dbraw/zinc/26/07/40/828260740.db2.gz MELYAXMAJXWNRY-WDEREUQCSA-N 0 3 269.345 -0.486 20 30 CBEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001278335447 828264527 /nfs/dbraw/zinc/26/45/27/828264527.db2.gz MUALQRQGHMKHTB-ZYHUDNBSSA-N 0 3 296.371 -0.996 20 30 CBEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)NC)C1 ZINC001278372899 828267277 /nfs/dbraw/zinc/26/72/77/828267277.db2.gz WNUQNQAZSSVUBJ-VXGBXAGGSA-N 0 3 280.372 -0.092 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)CC ZINC001278703514 828275896 /nfs/dbraw/zinc/27/58/96/828275896.db2.gz JETGLXXQNAZFCZ-GHMZBOCLSA-N 0 3 271.361 -0.504 20 30 CBEDHN C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)CC ZINC001278703515 828276727 /nfs/dbraw/zinc/27/67/27/828276727.db2.gz JETGLXXQNAZFCZ-MNOVXSKESA-N 0 3 271.361 -0.504 20 30 CBEDHN C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1CCC1 ZINC001278719128 828277679 /nfs/dbraw/zinc/27/76/79/828277679.db2.gz FKJWMLNCDXGZPO-AAEUAGOBSA-N 0 3 297.399 -0.114 20 30 CBEDHN C=CCN1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001278760185 828282698 /nfs/dbraw/zinc/28/26/98/828282698.db2.gz JBDWMDTUKLFNJP-AAEUAGOBSA-N 0 3 270.329 -0.859 20 30 CBEDHN C=CCCC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001278766387 828283059 /nfs/dbraw/zinc/28/30/59/828283059.db2.gz JCZUTVKZHSFUOZ-AWEZNQCLSA-N 0 3 293.371 -0.203 20 30 CBEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001278770932 828285598 /nfs/dbraw/zinc/28/55/98/828285598.db2.gz GNLRARJXNQKFBF-BXUZGUMPSA-N 0 3 281.356 -0.748 20 30 CBEDHN CC(C)(C)C#CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001278776338 828286731 /nfs/dbraw/zinc/28/67/31/828286731.db2.gz IRDKGQKCHPAYBW-CQSZACIVSA-N 0 3 268.357 -0.419 20 30 CBEDHN CN(CCO)C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278854692 828298430 /nfs/dbraw/zinc/29/84/30/828298430.db2.gz GUEPNBDRRODXIU-LBPRGKRZSA-N 0 3 254.330 -0.857 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001278878602 828303313 /nfs/dbraw/zinc/30/33/13/828303313.db2.gz QTRJKGNTNZIXIH-LBPRGKRZSA-N 0 3 283.372 -0.550 20 30 CBEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001278873840 828303370 /nfs/dbraw/zinc/30/33/70/828303370.db2.gz QHDXBSTZXFZTAQ-GFCCVEGCSA-N 0 3 293.367 -0.064 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001278878067 828304789 /nfs/dbraw/zinc/30/47/89/828304789.db2.gz HQSXHJOIRVJUGQ-VIFPVBQESA-N 0 3 254.290 -0.380 20 30 CBEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2cnnn2C)C1 ZINC001279479316 828325035 /nfs/dbraw/zinc/32/50/35/828325035.db2.gz GYNMTQJYFURSIT-CQSZACIVSA-N 0 3 293.371 -0.052 20 30 CBEDHN CC[C@@H](C(=O)N[C@@]1(CO)CCCN(CC#N)C1)N(C)C ZINC001279509779 828327631 /nfs/dbraw/zinc/32/76/31/828327631.db2.gz NGTNWDIFMAKWEY-JSGCOSHPSA-N 0 3 282.388 -0.207 20 30 CBEDHN C=CCCOCC(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001211355912 884772325 /nfs/dbraw/zinc/77/23/25/884772325.db2.gz YJWNIYHZQKFZOO-GFCCVEGCSA-N 0 3 283.372 -0.094 20 30 CBEDHN CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001213397503 884777553 /nfs/dbraw/zinc/77/75/53/884777553.db2.gz PIWFHJQDRFAUIA-JHJVBQTASA-N 0 3 282.388 -0.088 20 30 CBEDHN C=CCC[C@H](O)CN[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252622998 884801076 /nfs/dbraw/zinc/80/10/76/884801076.db2.gz BOWNIEBWVAGCIX-SRVKXCTJSA-N 0 3 285.388 -0.082 20 30 CBEDHN CC(C)(C)C#CC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001320218836 884830185 /nfs/dbraw/zinc/83/01/85/884830185.db2.gz VTMFDHFUKLOYCS-GFCCVEGCSA-N 0 3 295.383 -0.665 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001326888753 885184903 /nfs/dbraw/zinc/18/49/03/885184903.db2.gz AJOYPAMGCFYEHQ-MNOVXSKESA-N 0 3 281.356 -0.309 20 30 CBEDHN CC(C)N(C)CC(=O)N1CCO[C@H](CNCC#N)C1 ZINC001327081286 885249464 /nfs/dbraw/zinc/24/94/64/885249464.db2.gz ODIKZFLGHKTHCP-GFCCVEGCSA-N 0 3 268.361 -0.333 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H](C)OCC#C)C1 ZINC001327566166 885407443 /nfs/dbraw/zinc/40/74/43/885407443.db2.gz ZWNOOHDEBBRXNW-DZGCQCFKSA-N 0 3 278.352 -0.399 20 30 CBEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(CC(N)=O)nn1 ZINC001327855831 885501271 /nfs/dbraw/zinc/50/12/71/885501271.db2.gz FUBIJQWKASVKRP-ONGXEEELSA-N 0 3 265.317 -0.556 20 30 CBEDHN N#CCCC[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001329040556 885895257 /nfs/dbraw/zinc/89/52/57/885895257.db2.gz ZXOJMTUSRDROQV-JTQLQIEISA-N 0 3 280.288 -0.071 20 30 CBEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)COCCOC)[C@@H]2C1 ZINC001330279478 886409162 /nfs/dbraw/zinc/40/91/62/886409162.db2.gz WFWVVZLQPVEAIK-XYYAHUGASA-N 0 3 266.341 -0.423 20 30 CBEDHN C#CCN[C@H](C)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001331492674 886820863 /nfs/dbraw/zinc/82/08/63/886820863.db2.gz XOHLNXYMQXUGGT-SNVBAGLBSA-N 0 3 272.370 -0.509 20 30 CBEDHN C#CCN[C@@H](C)CN(C)C(=O)C1CCS(=O)(=O)CC1 ZINC001331576810 886852183 /nfs/dbraw/zinc/85/21/83/886852183.db2.gz VLSQZQHXCYTOSV-NSHDSACASA-N 0 3 286.397 -0.119 20 30 CBEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001331644561 886880253 /nfs/dbraw/zinc/88/02/53/886880253.db2.gz ONKGVWDVUHZLDP-MNOVXSKESA-N 0 3 287.385 -0.862 20 30 CBEDHN COCC#CCNC[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001332474258 887304893 /nfs/dbraw/zinc/30/48/93/887304893.db2.gz BYMDCJFKROCAQM-STQMWFEESA-N 0 3 284.356 -0.776 20 30 CBEDHN COCC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001332474255 887307586 /nfs/dbraw/zinc/30/75/86/887307586.db2.gz BYMDCJFKROCAQM-QWHCGFSZSA-N 0 3 284.356 -0.776 20 30 CBEDHN C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC1(C)C ZINC001332506814 887330341 /nfs/dbraw/zinc/33/03/41/887330341.db2.gz YCSPKKHJYFJOHZ-VXGBXAGGSA-N 0 3 297.399 -0.256 20 30 CBEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001332632441 887384916 /nfs/dbraw/zinc/38/49/16/887384916.db2.gz JVGWLJDLDHRDPC-CYBMUJFWSA-N 0 3 283.372 -0.598 20 30 CBEDHN C#C[C@H](NC[C@H](O)C1(O)CCOCC1)[C@H]1CCCO1 ZINC001332896662 887466027 /nfs/dbraw/zinc/46/60/27/887466027.db2.gz AXDOUNIKYAMYOD-XQQFMLRXSA-N 0 3 269.341 -0.341 20 30 CBEDHN C#CCOCCN(C)CCN1C(=O)NC(C)(C)C1=O ZINC001341255229 889565477 /nfs/dbraw/zinc/56/54/77/889565477.db2.gz ATOOBHMXVYMTED-UHFFFAOYSA-N 0 3 267.329 -0.102 20 30 CBEDHN C=CCCC[C@@H](N)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001341629962 889638099 /nfs/dbraw/zinc/63/80/99/889638099.db2.gz NQPLKVCNWFRXAY-CYBMUJFWSA-N 0 3 296.415 -0.098 20 30 CBEDHN COCCCNC(=O)C(C#N)C(=O)CCn1ccnn1 ZINC001343375937 889896884 /nfs/dbraw/zinc/89/68/84/889896884.db2.gz FJLWYLSFOUEORR-SNVBAGLBSA-N 0 3 279.300 -0.470 20 30 CBEDHN CCCN(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001444308321 912418871 /nfs/dbraw/zinc/41/88/71/912418871.db2.gz SNFHHYKSKMRJBS-QWRGUYRKSA-N 0 3 284.360 -0.919 20 30 CBEDHN CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)C1CC1 ZINC001445164517 912593447 /nfs/dbraw/zinc/59/34/47/912593447.db2.gz VXRORZDTFZMWRV-CMPLNLGQSA-N 0 3 296.371 -0.776 20 30 CBEDHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001445362821 912648637 /nfs/dbraw/zinc/64/86/37/912648637.db2.gz IBPPSZILUUMMAQ-KOLCDFICSA-N 0 3 289.339 -0.127 20 30 CBEDHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001445377581 912652745 /nfs/dbraw/zinc/65/27/45/912652745.db2.gz YCQPHCJRMGKGND-PSASIEDQSA-N 0 3 275.312 -0.517 20 30 CBEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC#N ZINC000888907211 884592337 /nfs/dbraw/zinc/59/23/37/884592337.db2.gz JJSKSTJKUDPPLQ-SNVBAGLBSA-N 0 3 267.333 -0.339 20 30 CBEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070164963 884635394 /nfs/dbraw/zinc/63/53/94/884635394.db2.gz URIOQFNPMRXTKC-OLZOCXBDSA-N 0 3 299.338 -0.781 20 30 CBEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCCOC ZINC001114071985 884655698 /nfs/dbraw/zinc/65/56/98/884655698.db2.gz LKMFJPGMCFIDIJ-PJXYFTJBSA-N 0 3 254.330 -0.118 20 30 CBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1c[nH]cn1 ZINC001128972978 884668903 /nfs/dbraw/zinc/66/89/03/884668903.db2.gz PVRFTUFNPPYXCB-LLVKDONJSA-N 0 3 291.355 -0.814 20 30 CBEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnon2)[C@H]1C ZINC001179749017 884707173 /nfs/dbraw/zinc/70/71/73/884707173.db2.gz UJSJMWLIZQJJSE-UWVGGRQHSA-N 0 3 291.311 -0.988 20 30 CBEDHN C=CCOCC(=O)N1CC[C@H]2CN(C[C@H](O)COC)C[C@H]21 ZINC001187320250 884718215 /nfs/dbraw/zinc/71/82/15/884718215.db2.gz OAAXQYPRJKWLOB-MELADBBJSA-N 0 3 298.383 -0.271 20 30 CBEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](COC)OC)CCCO1 ZINC001201366674 884745093 /nfs/dbraw/zinc/74/50/93/884745093.db2.gz OWUUMIPSFJUPOB-ZIAGYGMSSA-N 0 3 298.383 -0.122 20 30 CBEDHN CC(C)(C)C#CC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001320218837 884830519 /nfs/dbraw/zinc/83/05/19/884830519.db2.gz VTMFDHFUKLOYCS-LBPRGKRZSA-N 0 3 295.383 -0.665 20 30 CBEDHN Cc1nc(CNCCN(CCO)C(=O)[C@@H](C)C#N)n[nH]1 ZINC001325989941 884863101 /nfs/dbraw/zinc/86/31/01/884863101.db2.gz NSGGQGQZSXNDPZ-VIFPVBQESA-N 0 3 280.332 -0.817 20 30 CBEDHN CN(C)C(=O)Cn1cc(NC(=O)[C@@H](N)CCCC#N)cn1 ZINC001326046774 884887561 /nfs/dbraw/zinc/88/75/61/884887561.db2.gz MYAGJNGYKFXGRR-NSHDSACASA-N 0 3 292.343 -0.069 20 30 CBEDHN C#CCNCCN(CCO)C(=O)CN1CCCCC1=O ZINC001326052113 884890143 /nfs/dbraw/zinc/89/01/43/884890143.db2.gz CTLIIVLNJZAOHK-UHFFFAOYSA-N 0 3 281.356 -0.957 20 30 CBEDHN CC#CCNCCN(CCO)C(=O)C(C)(C)NC(C)=O ZINC001326106657 884907014 /nfs/dbraw/zinc/90/70/14/884907014.db2.gz CXEYVHYVAYCSJC-UHFFFAOYSA-N 0 3 283.372 -0.665 20 30 CBEDHN C=CCNC(=O)CNC[C@H]1CN(C(C)=O)CCO1 ZINC001326938482 885197048 /nfs/dbraw/zinc/19/70/48/885197048.db2.gz YABRFVKREAHZFF-NSHDSACASA-N 0 3 255.318 -0.875 20 30 CBEDHN CC#CCNC1(CNC(=O)CN2C(=O)CCC2=O)CCC1 ZINC001326925050 885195390 /nfs/dbraw/zinc/19/53/90/885195390.db2.gz XEKPLHSMLQBKKF-UHFFFAOYSA-N 0 3 291.351 -0.213 20 30 CBEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001326967379 885208412 /nfs/dbraw/zinc/20/84/12/885208412.db2.gz PZPZWFREFPAXNQ-STQMWFEESA-N 0 3 266.341 -0.137 20 30 CBEDHN CC(C)C#CC(=O)N1CCO[C@H](CNCC(=O)N(C)C)C1 ZINC001326978052 885209961 /nfs/dbraw/zinc/20/99/61/885209961.db2.gz KMIBFFQGKSTEOF-CYBMUJFWSA-N 0 3 295.383 -0.449 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1 ZINC001327003148 885219963 /nfs/dbraw/zinc/21/99/63/885219963.db2.gz GQJDTNGAZAHIHJ-LLVKDONJSA-N 0 3 288.351 -0.038 20 30 CBEDHN C#CCNC[C@@H]1CN(C(=O)CCn2ccnc2)CCO1 ZINC001327021308 885224964 /nfs/dbraw/zinc/22/49/64/885224964.db2.gz XLYQBWOTSGHMJX-CYBMUJFWSA-N 0 3 276.340 -0.277 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)CCOC)C1 ZINC001327542247 885397355 /nfs/dbraw/zinc/39/73/55/885397355.db2.gz UBOJRTLZVKAQJR-ZDUSSCGKSA-N 0 3 254.330 -0.401 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)OC)C1 ZINC001327548316 885400806 /nfs/dbraw/zinc/40/08/06/885400806.db2.gz YJNRDSOJYGJSNF-TZMCWYRMSA-N 0 3 268.357 -0.012 20 30 CBEDHN C#CCOCCN(C)C[C@](O)(C(N)=O)c1ccccc1 ZINC001327554998 885403969 /nfs/dbraw/zinc/40/39/69/885403969.db2.gz POENHDSWUUCYSH-OAHLLOKOSA-N 0 3 276.336 -0.059 20 30 CBEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2cnn(C)c2N)C1 ZINC001327564161 885408530 /nfs/dbraw/zinc/40/85/30/885408530.db2.gz OMEXNYFYIOTYEV-AWEZNQCLSA-N 0 3 291.355 -0.808 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001327569949 885408888 /nfs/dbraw/zinc/40/88/88/885408888.db2.gz SDUPNKIVTLFRTG-SWLSCSKDSA-N 0 3 293.367 -0.911 20 30 CBEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001327570554 885411363 /nfs/dbraw/zinc/41/13/63/885411363.db2.gz XZPUBYQIIQWYSP-IUODEOHRSA-N 0 3 293.367 -0.911 20 30 CBEDHN CNC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)CCO1 ZINC001327662435 885444683 /nfs/dbraw/zinc/44/46/83/885444683.db2.gz MWZYLWXISTYPQI-WDEREUQCSA-N 0 3 282.344 -0.629 20 30 CBEDHN C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NCC(=O)N(C)C ZINC001327827124 885485943 /nfs/dbraw/zinc/48/59/43/885485943.db2.gz HAGGKRXPNRUCCZ-WDEREUQCSA-N 0 3 298.412 -0.232 20 30 CBEDHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCC(=O)NCC#N ZINC001327829200 885489281 /nfs/dbraw/zinc/48/92/81/885489281.db2.gz PAEHDJUIPHWODZ-GXSJLCMTSA-N 0 3 290.327 -0.900 20 30 CBEDHN CC(C)C(=O)N1C[C@H](NCC(=O)NCC#N)[C@@H](C)C1 ZINC001327831902 885490294 /nfs/dbraw/zinc/49/02/94/885490294.db2.gz ZFAGIAPZQTYVKQ-QWRGUYRKSA-N 0 3 266.345 -0.281 20 30 CBEDHN C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NCC(=O)NCC#N ZINC001327831875 885490872 /nfs/dbraw/zinc/49/08/72/885490872.db2.gz YYYSWDSQVPLZFC-CMPLNLGQSA-N 0 3 289.339 -0.295 20 30 CBEDHN C=CCOCC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC)C1 ZINC001327844095 885496223 /nfs/dbraw/zinc/49/62/23/885496223.db2.gz ATGXKDVFTDHNBQ-NWDGAFQWSA-N 0 3 283.372 -0.238 20 30 CBEDHN COC[C@@H](NC(=O)[C@H](N)CCCC#N)C(=O)OC ZINC001327856376 885503799 /nfs/dbraw/zinc/50/37/99/885503799.db2.gz MNKSSCSGUALLSH-RKDXNWHRSA-N 0 3 257.290 -0.688 20 30 CBEDHN COCC#CC(=O)N(C)CCCN1CCN(C)CC1 ZINC001328278201 885621462 /nfs/dbraw/zinc/62/14/62/885621462.db2.gz RSBOBCLPFOZISD-UHFFFAOYSA-N 0 3 267.373 -0.268 20 30 CBEDHN COCC#CC(=O)NC[C@@H]1CCCN1CCCO ZINC001328327456 885634948 /nfs/dbraw/zinc/63/49/48/885634948.db2.gz DMXFOADRPYYOQB-LBPRGKRZSA-N 0 3 254.330 -0.401 20 30 CBEDHN C#CCCN1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001328559342 885727017 /nfs/dbraw/zinc/72/70/17/885727017.db2.gz UTCDNKSOHNBLFX-UHFFFAOYSA-N 0 3 291.355 -0.686 20 30 CBEDHN Cc1[nH]cnc1CC(=O)NCCn1cnc(C#N)n1 ZINC001328584989 885737064 /nfs/dbraw/zinc/73/70/64/885737064.db2.gz LLQHWJNSDNOCFJ-UHFFFAOYSA-N 0 3 259.273 -0.460 20 30 CBEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cn[nH]c1 ZINC001328988542 885871851 /nfs/dbraw/zinc/87/18/51/885871851.db2.gz KLTJSXBFOPQLJU-ZJUUUORDSA-N 0 3 279.344 -0.192 20 30 CBEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccnn1C ZINC001328995307 885876096 /nfs/dbraw/zinc/87/60/96/885876096.db2.gz KDWDYJUPDDOSOV-GHMZBOCLSA-N 0 3 293.371 -0.181 20 30 CBEDHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001329018501 885885623 /nfs/dbraw/zinc/88/56/23/885885623.db2.gz ZGDCTOQIMSTHIP-SFYZADRCSA-N 0 3 263.301 -0.532 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC(C)(C)O ZINC001329028621 885891403 /nfs/dbraw/zinc/89/14/03/885891403.db2.gz SSXQOEHOCQTWNK-GHMZBOCLSA-N 0 3 283.372 -0.620 20 30 CBEDHN N#CCCC[C@@H](N)C(=O)NCCCN1CCOC1=O ZINC001329037417 885893874 /nfs/dbraw/zinc/89/38/74/885893874.db2.gz UNGIVCGXBOWDJZ-SNVBAGLBSA-N 0 3 268.317 -0.034 20 30 CBEDHN C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)c1 ZINC001329128396 885942896 /nfs/dbraw/zinc/94/28/96/885942896.db2.gz SYQGOMVWQMDSBL-VHSXEESVSA-N 0 3 274.324 -0.355 20 30 CBEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)c1 ZINC001329128397 885943042 /nfs/dbraw/zinc/94/30/42/885943042.db2.gz SYQGOMVWQMDSBL-ZJUUUORDSA-N 0 3 274.324 -0.355 20 30 CBEDHN N#CC1(C[C@@H](O)CNC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC001329220992 885971092 /nfs/dbraw/zinc/97/10/92/885971092.db2.gz BNNQVNIHRMEMLM-BDAKNGLRSA-N 0 3 266.301 -0.739 20 30 CBEDHN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC001329259569 885984924 /nfs/dbraw/zinc/98/49/24/885984924.db2.gz MOGXXDGASFBDOD-NXEZZACHSA-N 0 3 275.374 -0.053 20 30 CBEDHN COCC#CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001329340123 886023645 /nfs/dbraw/zinc/02/36/45/886023645.db2.gz VDAKFLRPFDMDPC-LLVKDONJSA-N 0 3 267.329 -0.785 20 30 CBEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)CCOCCO ZINC001329411534 886055113 /nfs/dbraw/zinc/05/51/13/886055113.db2.gz PDTBYMYQMMVTJY-NSHDSACASA-N 0 3 294.355 -0.055 20 30 CBEDHN C=CCN(C)[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001329450397 886072670 /nfs/dbraw/zinc/07/26/70/886072670.db2.gz MXSHVISRWBUGJC-JTQLQIEISA-N 0 3 277.390 -0.452 20 30 CBEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)N(C)CCO ZINC001329572697 886126963 /nfs/dbraw/zinc/12/69/63/886126963.db2.gz KYWPOOTXLMXAHH-DGCLKSJQSA-N 0 3 285.388 -0.114 20 30 CBEDHN CC[C@@H](C(=O)NC[C@H](C)N(C)CC(=O)NCC#N)N(C)C ZINC001329592469 886135362 /nfs/dbraw/zinc/13/53/62/886135362.db2.gz PSZQACPDWOZXHV-RYUDHWBXSA-N 0 3 297.403 -0.597 20 30 CBEDHN C=CCN(CC(=O)N1CCNCC1)[C@H](C)COC ZINC001329924876 886279898 /nfs/dbraw/zinc/27/98/98/886279898.db2.gz BWEGVGDGUHDFMS-GFCCVEGCSA-N 0 3 255.362 -0.059 20 30 CBEDHN COCC#CCN[C@H](C)[C@@H]1CN(C(C)=O)CCO1 ZINC001330362066 886428473 /nfs/dbraw/zinc/42/84/73/886428473.db2.gz CUUIIMGVVOZOQI-YPMHNXCESA-N 0 3 254.330 -0.138 20 30 CBEDHN C#CCN(C)CCOCCNC(=O)c1cccn(C)c1=O ZINC001331162707 886700411 /nfs/dbraw/zinc/70/04/11/886700411.db2.gz ZLVZEEJIVDKPBA-UHFFFAOYSA-N 0 3 291.351 -0.303 20 30 CBEDHN C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCCO1 ZINC001331378605 886786468 /nfs/dbraw/zinc/78/64/68/886786468.db2.gz XKVPUHMFTKQZDF-VXGBXAGGSA-N 0 3 283.372 -0.096 20 30 CBEDHN C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cnn(C)c1 ZINC001331377745 886787049 /nfs/dbraw/zinc/78/70/49/886787049.db2.gz STPUFUQUQGJHMJ-LLVKDONJSA-N 0 3 291.355 -0.780 20 30 CBEDHN C=CCCC(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001331405996 886797656 /nfs/dbraw/zinc/79/76/56/886797656.db2.gz MQICXVUNFGZOEK-VIFPVBQESA-N 0 3 270.333 -0.416 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001331725549 886938782 /nfs/dbraw/zinc/93/87/82/886938782.db2.gz PALLNMHRYJMZDO-MNOVXSKESA-N 0 3 290.385 -0.794 20 30 CBEDHN CCCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCC#N ZINC001331725115 886940066 /nfs/dbraw/zinc/94/00/66/886940066.db2.gz MMTQSGANFUQKHL-RYUDHWBXSA-N 0 3 268.361 -0.549 20 30 CBEDHN C#CCN[C@@H](CO)CNC(=O)c1cnc2ccccc2c1O ZINC001331738842 886949021 /nfs/dbraw/zinc/94/90/21/886949021.db2.gz DPMZVWCCAHDRGG-LLVKDONJSA-N 0 3 299.330 -0.158 20 30 CBEDHN C=CCN[C@@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001331789122 886980804 /nfs/dbraw/zinc/98/08/04/886980804.db2.gz GOMFBZFBAZYNGX-SNVBAGLBSA-N 0 3 275.312 -0.404 20 30 CBEDHN C=CCN[C@H](CO)CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001331825635 887002053 /nfs/dbraw/zinc/00/20/53/887002053.db2.gz PQMIPDFYXJKSLL-RYUDHWBXSA-N 0 3 283.372 -0.502 20 30 CBEDHN C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC)[C@@H]1C ZINC001331842749 887009766 /nfs/dbraw/zinc/00/97/66/887009766.db2.gz RFUASVGIXFJVPF-GHMZBOCLSA-N 0 3 251.330 -0.275 20 30 CBEDHN C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C(C)(F)F ZINC001331849492 887012909 /nfs/dbraw/zinc/01/29/09/887012909.db2.gz BXNFLYVQMMKNMB-BDAKNGLRSA-N 0 3 288.298 -0.140 20 30 CBEDHN C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cocn1 ZINC001331862340 887019112 /nfs/dbraw/zinc/01/91/12/887019112.db2.gz WZDHZYRZECPTAC-ZJUUUORDSA-N 0 3 291.311 -0.493 20 30 CBEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC001331879121 887026239 /nfs/dbraw/zinc/02/62/39/887026239.db2.gz OKAVCJRJUOLMOY-MNOVXSKESA-N 0 3 291.355 -0.096 20 30 CBEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001332023843 887087063 /nfs/dbraw/zinc/08/70/63/887087063.db2.gz AMRHYUAQNSAKKV-QWRGUYRKSA-N 0 3 274.324 -0.014 20 30 CBEDHN CN(CCNC(=O)C1(C#N)CCOCC1)CCOCCO ZINC001332314651 887198210 /nfs/dbraw/zinc/19/82/10/887198210.db2.gz JMJLRXIYBKJZSE-UHFFFAOYSA-N 0 3 299.371 -0.636 20 30 CBEDHN C=CCOCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001332362648 887227737 /nfs/dbraw/zinc/22/77/37/887227737.db2.gz WESJLIMKJLWNGC-VXGBXAGGSA-N 0 3 295.383 -0.096 20 30 CBEDHN COCC#CCNC[C@@H](O)CN(C)C(=O)c1[nH]ccc1C ZINC001332504116 887326310 /nfs/dbraw/zinc/32/63/10/887326310.db2.gz KSDQTVYSDUAMSK-CYBMUJFWSA-N 0 3 293.367 -0.005 20 30 CBEDHN C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC1(C)C ZINC001332506774 887330159 /nfs/dbraw/zinc/33/01/59/887330159.db2.gz YCSPKKHJYFJOHZ-NEPJUHHUSA-N 0 3 297.399 -0.256 20 30 CBEDHN CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC#N ZINC001332605968 887371342 /nfs/dbraw/zinc/37/13/42/887371342.db2.gz MCNXRWWPKCNGTH-CHWSQXEVSA-N 0 3 282.388 -0.207 20 30 CBEDHN CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCC#N ZINC001332605969 887371629 /nfs/dbraw/zinc/37/16/29/887371629.db2.gz MCNXRWWPKCNGTH-OLZOCXBDSA-N 0 3 282.388 -0.207 20 30 CBEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001332631141 887386659 /nfs/dbraw/zinc/38/66/59/887386659.db2.gz FJAPVYSDSIRQRY-QWHCGFSZSA-N 0 3 297.399 -0.208 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001332646092 887390534 /nfs/dbraw/zinc/39/05/34/887390534.db2.gz GWUUMMLAWWRGRP-OLZOCXBDSA-N 0 3 297.399 -0.018 20 30 CBEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001332661907 887397062 /nfs/dbraw/zinc/39/70/62/887397062.db2.gz ADIZJOGVGGNJHQ-AXFHLTTASA-N 0 3 269.345 -0.955 20 30 CBEDHN C=CCN(C)CCN(C(=O)CN1C(=O)CNC1=O)C(C)C ZINC001332740428 887420875 /nfs/dbraw/zinc/42/08/75/887420875.db2.gz KSCDBFIVVMMBJQ-UHFFFAOYSA-N 0 3 296.371 -0.107 20 30 CBEDHN C#CCO[C@H](C)C(=O)N[C@@H](CNCC(=O)NC)C(C)(C)C ZINC001332793752 887431503 /nfs/dbraw/zinc/43/15/03/887431503.db2.gz ZJTSMZFHPGTBNT-NEPJUHHUSA-N 0 3 297.399 -0.109 20 30 CBEDHN N#CC[C@@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001334574163 888267747 /nfs/dbraw/zinc/26/77/47/888267747.db2.gz RDBMAKAWQADWPD-UPJWGTAASA-N 0 3 253.346 -0.208 20 30 CBEDHN CC1=NO[C@@H](CNC[C@H](O)CN(C)CCC#N)C1 ZINC001335426452 888531342 /nfs/dbraw/zinc/53/13/42/888531342.db2.gz RULSBXVEGFPVHA-NWDGAFQWSA-N 0 3 254.334 -0.053 20 30 CBEDHN C=CCNC(=O)CNC[C@@H](O)CC1(O)CCOCC1 ZINC001335968485 888662870 /nfs/dbraw/zinc/66/28/70/888662870.db2.gz GTJQCKWQHVIAIU-NSHDSACASA-N 0 3 272.345 -0.829 20 30 CBEDHN C#CCN1CCC(NC(=O)CN2CCC(CO)CC2)CC1 ZINC001336107843 888694758 /nfs/dbraw/zinc/69/47/58/888694758.db2.gz UPKKNPPVJAKBQD-UHFFFAOYSA-N 0 3 293.411 -0.096 20 30 CBEDHN C#CCNC(=O)CCNCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001336303535 888739539 /nfs/dbraw/zinc/73/95/39/888739539.db2.gz KZMQEGYJHXUVHY-UHFFFAOYSA-N 0 3 290.323 -0.487 20 30 CBEDHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)C#CC(C)C)N(C)C ZINC001337707237 889067878 /nfs/dbraw/zinc/06/78/78/889067878.db2.gz XQCDCACLVSRTPC-CHWSQXEVSA-N 0 3 297.399 -0.421 20 30 CBEDHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1)N(C)C ZINC001337860618 889091467 /nfs/dbraw/zinc/09/14/67/889091467.db2.gz HIKVDOOCOWMGBT-STQMWFEESA-N 0 3 295.383 -0.667 20 30 CBEDHN C[C@@](C#N)(NC(=O)CNC1(CO)CCOCC1)C1CC1 ZINC001338783878 889201064 /nfs/dbraw/zinc/20/10/64/889201064.db2.gz RNNVHXDWCOPAKU-ZDUSSCGKSA-N 0 3 281.356 -0.074 20 30 CBEDHN C[C@](C#N)(NC(=O)CNC1(CO)CCOCC1)C1CC1 ZINC001338783877 889201097 /nfs/dbraw/zinc/20/10/97/889201097.db2.gz RNNVHXDWCOPAKU-CYBMUJFWSA-N 0 3 281.356 -0.074 20 30 CBEDHN COCCCNC(=O)C(C#N)C(=O)CO[C@@H]1CCOC1 ZINC001341784862 889663130 /nfs/dbraw/zinc/66/31/30/889663130.db2.gz IBLPQJPOLPVQIU-MNOVXSKESA-N 0 3 284.312 -0.347 20 30 CBEDHN C[C@]1(C#N)CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC001342111278 889710341 /nfs/dbraw/zinc/71/03/41/889710341.db2.gz JMETUAXXWXWAKR-AAEUAGOBSA-N 0 3 267.329 -0.104 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001342199473 889728931 /nfs/dbraw/zinc/72/89/31/889728931.db2.gz LTMOKESQAVGCFQ-KGLIPLIRSA-N 0 3 299.415 -0.179 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001342199471 889730460 /nfs/dbraw/zinc/73/04/60/889730460.db2.gz LTMOKESQAVGCFQ-KBPBESRZSA-N 0 3 299.415 -0.179 20 30 CBEDHN C=C(C)C[C@H](NC(=O)[C@H]1CNCCN1C)C(=O)OC ZINC001342284537 889746541 /nfs/dbraw/zinc/74/65/41/889746541.db2.gz LJDHPSZRPZQABT-WDEREUQCSA-N 0 3 269.345 -0.486 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N1CCOC[C@@H]1CNC(=O)NC ZINC001342289676 889747605 /nfs/dbraw/zinc/74/76/05/889747605.db2.gz HSRUTXVPHQUPPV-RYUDHWBXSA-N 0 3 298.387 -0.174 20 30 CBEDHN CCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001342595522 889799192 /nfs/dbraw/zinc/79/91/92/889799192.db2.gz LPFPLTWUZJALRH-QMMMGPOBSA-N 0 3 258.299 -0.638 20 30 CBEDHN COC(=O)NCC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC001343329529 889887022 /nfs/dbraw/zinc/88/70/22/889887022.db2.gz BOSJPXSJEUVGAG-SNVBAGLBSA-N 0 3 299.327 -0.017 20 30 CBEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1nnnn1C ZINC001343343631 889890510 /nfs/dbraw/zinc/89/05/10/889890510.db2.gz HUSATKRWEVAZGZ-BQBZGAKWSA-N 0 3 258.713 -0.143 20 30 CBEDHN C#CCNCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001343421854 889906298 /nfs/dbraw/zinc/90/62/98/889906298.db2.gz SCDKUYXODRJTCW-QWHCGFSZSA-N 0 3 265.357 -0.733 20 30 CBEDHN C=CCCC[C@H](N)C(=O)N1CCN(C)C[C@H]1CO ZINC001343490166 889922763 /nfs/dbraw/zinc/92/27/63/889922763.db2.gz MLZCSYFLFCLMHN-RYUDHWBXSA-N 0 3 255.362 -0.195 20 30 CBEDHN C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC001345013428 890090932 /nfs/dbraw/zinc/09/09/32/890090932.db2.gz PUJFLJWYKXPHGZ-ZDUSSCGKSA-N 0 3 293.367 -0.599 20 30 CBEDHN CN(CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1)C1CC1 ZINC001345360679 890120616 /nfs/dbraw/zinc/12/06/16/890120616.db2.gz XCQUBUNKUSGFQG-CYBMUJFWSA-N 0 3 282.319 -0.339 20 30 CBEDHN CCN(CCC(=O)NC)C(=O)[C@H](N)CCCC#N ZINC001345431016 890126740 /nfs/dbraw/zinc/12/67/40/890126740.db2.gz LGYFWNIGUVMROM-SNVBAGLBSA-N 0 3 254.334 -0.008 20 30 CBEDHN CNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C2CC2)C1=O ZINC001346297104 890260331 /nfs/dbraw/zinc/26/03/31/890260331.db2.gz YAWVUMANMPLLIW-VHSXEESVSA-N 0 3 263.297 -0.158 20 30 CBEDHN N#CC1(CC(=O)NC[C@@H]2CNCCO2)CCOCC1 ZINC001347097426 890406119 /nfs/dbraw/zinc/40/61/19/890406119.db2.gz JWMWIUKGWWRYRM-NSHDSACASA-N 0 3 267.329 -0.199 20 30 CBEDHN C#CCNC(=O)CCN[C@H]1CCO[C@H]1c1nc(C)no1 ZINC001348424039 890622285 /nfs/dbraw/zinc/62/22/85/890622285.db2.gz YHCGDGOYWCSUDZ-CMPLNLGQSA-N 0 3 278.312 -0.063 20 30 CBEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cncnc1C ZINC001348434525 890624617 /nfs/dbraw/zinc/62/46/17/890624617.db2.gz CEJXHDLUPOSNFN-UHFFFAOYSA-N 0 3 289.339 -0.205 20 30 CBEDHN COC(=O)c1cn(CCNC(=O)[C@H](N)CCCC#N)nn1 ZINC001348860197 890715549 /nfs/dbraw/zinc/71/55/49/890715549.db2.gz MDELXJGLYNIDAC-SECBINFHSA-N 0 3 294.315 -0.798 20 30 CBEDHN Cc1cc(NC(=O)CCNCC(=O)NCC#N)no1 ZINC001348973836 890740579 /nfs/dbraw/zinc/74/05/79/890740579.db2.gz XGMXRHMMIRYXNP-UHFFFAOYSA-N 0 3 265.273 -0.459 20 30 CBEDHN CCN(CC)CC(=O)NCCNC(=O)[C@@H](C)C#N ZINC001349049152 890752320 /nfs/dbraw/zinc/75/23/20/890752320.db2.gz CSBGRYYYLPQUGD-JTQLQIEISA-N 0 3 254.334 -0.280 20 30 CBEDHN C=C(CCC(=O)OC)C(=O)N[C@@H](CO)CN(C)C ZINC001449065355 913491654 /nfs/dbraw/zinc/49/16/54/913491654.db2.gz XMYDSDPDXCWSBH-SNVBAGLBSA-N 0 3 258.318 -0.466 20 30 CBEDHN CC(C)N(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001449114357 913511888 /nfs/dbraw/zinc/51/18/88/913511888.db2.gz OPXIKJBEBQUNEI-NWDGAFQWSA-N 0 3 298.387 -0.578 20 30 CBEDHN C=CCC1(O)CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001350594850 891012626 /nfs/dbraw/zinc/01/26/26/891012626.db2.gz ZQYUVRLUZIHOTH-LBPRGKRZSA-N 0 3 295.383 -0.454 20 30 CBEDHN C#CCN(C(=O)NCc1nnn(C)n1)C1CCN(C)CC1 ZINC001350891541 891065260 /nfs/dbraw/zinc/06/52/60/891065260.db2.gz XJQQRQCNZATAEO-UHFFFAOYSA-N 0 3 291.359 -0.551 20 30 CBEDHN N#CCCOCCN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001351481729 891143953 /nfs/dbraw/zinc/14/39/53/891143953.db2.gz XWYPRRHZJSEEIV-UHFFFAOYSA-N 0 3 292.343 -0.056 20 30 CBEDHN CN(CCC#N)C[C@@H](O)CNCc1cncn1C ZINC001352067607 891220895 /nfs/dbraw/zinc/22/08/95/891220895.db2.gz SWVKPLYYOHLYNP-LBPRGKRZSA-N 0 3 251.334 -0.284 20 30 CBEDHN C=CCN1CC[C@@H](N2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001352931648 891325317 /nfs/dbraw/zinc/32/53/17/891325317.db2.gz XKEVCLDLKMHISK-GRYCIOLGSA-N 0 3 254.330 -0.694 20 30 CBEDHN C#CCNC(=O)CCN[C@@H](C)C(=O)N1CCCC1 ZINC001353355082 891410087 /nfs/dbraw/zinc/41/00/87/891410087.db2.gz UYCYYYCQPWQSKF-NSHDSACASA-N 0 3 251.330 -0.274 20 30 CBEDHN C=C[C@](C)(O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001353882944 891482239 /nfs/dbraw/zinc/48/22/39/891482239.db2.gz OYLZUOFQQCWJNK-AAEUAGOBSA-N 0 3 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277.328 -0.318 20 30 CBEDHN N#Cc1ncn(CC(=O)N[C@H](CO)CN2CCCCC2)n1 ZINC000330826198 203282289 /nfs/dbraw/zinc/28/22/89/203282289.db2.gz RZOISYOEHCGQIR-NSHDSACASA-N 0 3 292.343 -0.887 20 30 CBEDHN C#CCN1CCN(C(=O)CNC(C)(C)C(C)(C)O)CC1 ZINC000490935510 261254448 /nfs/dbraw/zinc/25/44/48/261254448.db2.gz NKRSOYRPWDBKEB-UHFFFAOYSA-N 0 3 281.400 -0.097 20 30 CBEDHN C#CCN1CCC(C(=O)NC[C@@H](O)COC)CC1 ZINC000491066566 261314370 /nfs/dbraw/zinc/31/43/70/261314370.db2.gz DOZGHOCEYCNWAX-GFCCVEGCSA-N 0 3 254.330 -0.545 20 30 CBEDHN C=CCCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574412644 335017829 /nfs/dbraw/zinc/01/78/29/335017829.db2.gz COJNHMYNDVIUEJ-NEPJUHHUSA-N 0 3 296.371 -0.468 20 30 CBEDHN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000037803041 372758734 /nfs/dbraw/zinc/75/87/34/372758734.db2.gz HHCCGKCINFEXQX-CYBMUJFWSA-N 0 3 294.399 -0.425 20 30 CBEDHN CC[C@@](C)(NCCC(=O)N(C)CCC#N)C(N)=O ZINC000092805399 372776593 /nfs/dbraw/zinc/77/65/93/372776593.db2.gz DRNIRBZQIJVCEY-GFCCVEGCSA-N 0 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